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91.2 MB
/srv/reproducible-results/rbuild-debian/r-b-build.vFnwyhRI/b1/ball_1.5.0+git20180813.37fc53c-11_i386.changes vs.
/srv/reproducible-results/rbuild-debian/r-b-build.vFnwyhRI/b2/ball_1.5.0+git20180813.37fc53c-11_i386.changes
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1 ·3c8ea84141bd8f6e0a411dcc087bd941·1351780·debug·optional·ballview-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb1 ·3c8ea84141bd8f6e0a411dcc087bd941·1351780·debug·optional·ballview-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb
2 ·a3ed9bcc59ec7c0d60fc0a21085a7763·196384·science·optional·ballview_1.5.0+git20180813.37fc53c-11_i386.deb2 ·a3ed9bcc59ec7c0d60fc0a21085a7763·196384·science·optional·ballview_1.5.0+git20180813.37fc53c-11_i386.deb
3 ·b21d5cfa34c35bf0a53bfb413f874606·21080208·science·optional·libball1.5-data_1.5.0+git20180813.37fc53c-11_all.deb3 ·b21d5cfa34c35bf0a53bfb413f874606·21080208·science·optional·libball1.5-data_1.5.0+git20180813.37fc53c-11_all.deb
4 ·86f2d85278124722b92592f46f31327f·77300564·debug·optional·libball1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb4 ·86f2d85278124722b92592f46f31327f·77300564·debug·optional·libball1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb
5 ·30b0b7eee0003290dbcb7d215b2d23c1·534240·libdevel·optional·libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb5 ·d526600d760444809c3fcacf94137b30·534328·libdevel·optional·libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
6 ·0b0c67c7e853f26774a38615a14af74b·9367228·doc·optional·libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb6 ·7ec60dfa4656da5615172dcf43bf9d7d·9383576·doc·optional·libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb
7 ·f702468c0873ce7d92b9e9e6664f0924·3417256·libs·optional·libball1.5_1.5.0+git20180813.37fc53c-11_i386.deb7 ·f702468c0873ce7d92b9e9e6664f0924·3417256·libs·optional·libball1.5_1.5.0+git20180813.37fc53c-11_i386.deb
8 ·ce699ec9edf86bd01a88f4318ce72817·32607396·debug·optional·libballview1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb8 ·ce699ec9edf86bd01a88f4318ce72817·32607396·debug·optional·libballview1.5-dbgsym_1.5.0+git20180813.37fc53c-11_i386.deb
9 ·980fc2d21fe965004c14c88632ad736f·144860·libdevel·optional·libballview1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb9 ·980fc2d21fe965004c14c88632ad736f·144860·libdevel·optional·libballview1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
10 ·0891b716305d47f0ff66116f3c75654b·1538408·libs·optional·libballview1.5_1.5.0+git20180813.37fc53c-11_i386.deb10 ·0891b716305d47f0ff66116f3c75654b·1538408·libs·optional·libballview1.5_1.5.0+git20180813.37fc53c-11_i386.deb
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libball1.5-dev_1.5.0+git20180813.37fc53c-11_i386.deb
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1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary
2 -rw-r--r--···0········0········0····16124·2022-12-21·15:46:23.000000·control.tar.xz2 -rw-r--r--···0········0········0····16128·2022-12-21·15:46:23.000000·control.tar.xz
3 -rw-r--r--···0········0········0···517924·2022-12-21·15:46:23.000000·data.tar.xz3 -rw-r--r--···0········0········0···518008·2022-12-21·15:46:23.000000·data.tar.xz
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control.tar
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57 -rw-r--r--···0·root·········(0)·root·········(0)······199·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/sources.cmake57 -rw-r--r--···0·root·········(0)·root·········(0)······199·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/sources.cmake
58 -rw-r--r--···0·root·········(0)·root·········(0)·····1102·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/stdIteratorWrapper.h58 -rw-r--r--···0·root·········(0)·root·········(0)·····1102·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/stdIteratorWrapper.h
59 -rw-r--r--···0·root·········(0)·root·········(0)·····7944·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/textPersistenceManager.h59 -rw-r--r--···0·root·········(0)·root·········(0)·····7944·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/textPersistenceManager.h
60 -rw-r--r--···0·root·········(0)·root·········(0)·····5926·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.h60 -rw-r--r--···0·root·········(0)·root·········(0)·····5926·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.h
61 -rw-r--r--···0·root·········(0)·root·········(0)·····2388·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.iC61 -rw-r--r--···0·root·········(0)·root·········(0)·····2388·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/timeStamp.iC
62 -rw-r--r--···0·root·········(0)·root·········(0)·····1140·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/visitor.h62 -rw-r--r--···0·root·········(0)·root·········(0)·····1140·2022-12-21·15:46:23.000000·./usr/include/BALL/CONCEPT/visitor.h
63 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/63 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/
64 -rw-r--r--···0·root·········(0)·root·········(0)·····7677·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/config.h64 -rw-r--r--···0·root·········(0)·root·········(0)·····7681·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/config.h
65 -rw-r--r--···0·root·········(0)·root·········(0)······198·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/sources.cmake65 -rw-r--r--···0·root·········(0)·root·········(0)······198·2022-12-21·15:46:23.000000·./usr/include/BALL/CONFIG/sources.cmake
66 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/66 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/
67 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/67 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/
68 -rw-r--r--···0·root·········(0)·root·········(0)····12697·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/graphAlgorithms.h68 -rw-r--r--···0·root·········(0)·root·········(0)····12697·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/graphAlgorithms.h
69 -rw-r--r--···0·root·········(0)·root·········(0)·····2907·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/molecularGraph.h69 -rw-r--r--···0·root·········(0)·root·········(0)·····2907·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/molecularGraph.h
70 -rw-r--r--···0·root·········(0)·root·········(0)······206·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/sources.cmake70 -rw-r--r--···0·root·········(0)·root·········(0)······206·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/sources.cmake
71 -rw-r--r--···0·root·········(0)·root·········(0)····18733·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/treeWidth.h71 -rw-r--r--···0·root·········(0)·root·········(0)····18733·2022-12-21·15:46:23.000000·./usr/include/BALL/DATATYPE/GRAPH/treeWidth.h
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./usr/include/BALL/CONFIG/config.h
    
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21 #define·BALL_RELEASE_STRING·"1.5.0"21 #define·BALL_RELEASE_STRING·"1.5.0"
  
22 //·The·path·to·the·directory·where·BALL·is·installed.22 //·The·path·to·the·directory·where·BALL·is·installed.
23 #define·BALL_PATH·"/usr"23 #define·BALL_PATH·"/usr"
24 #define·BALL_DATA_PATH·"/usr/share/BALL-1.5/data"24 #define·BALL_DATA_PATH·"/usr/share/BALL-1.5/data"
  
25 //·The·string·describes·the·binary·format.25 //·The·string·describes·the·binary·format.
26 #define·BALL_BINFMT·"Linux-i686"26 #define·BALL_BINFMT·"Linux-x86_64"
  
27 //·The·processor·architecture27 //·The·processor·architecture
28 #define·BALL_ARCH·"i686"28 #define·BALL_ARCH·"x86_64"
  
29 //·The·operating·system29 //·The·operating·system
30 #define·BALL_OS·"Linux"30 #define·BALL_OS·"Linux"
  
31 //·Some·convenient·shortcuts·for·operating·systems·we·often·encounter31 //·Some·convenient·shortcuts·for·operating·systems·we·often·encounter
32 //·NOTE:·we'd·like·to·deprecate·these,·so·try·using·BALL_OS·instead32 //·NOTE:·we'd·like·to·deprecate·these,·so·try·using·BALL_OS·instead
33 //·whenever·possible33 //·whenever·possible
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91.2 MB
libball1.5-doc_1.5.0+git20180813.37fc53c-11_all.deb
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1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary1 -rw-r--r--···0········0········0········4·2022-12-21·15:46:23.000000·debian-binary
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control.tar.xz
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control.tar
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./control
    
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1 Package:·libball1.5-doc1 Package:·libball1.5-doc
2 Source:·ball2 Source:·ball
3 Version:·1.5.0+git20180813.37fc53c-113 Version:·1.5.0+git20180813.37fc53c-11
4 Architecture:·all4 Architecture:·all
5 Maintainer:·Debian·Med·Packaging·Team·<debian-med-packaging@lists.alioth.debian.org>5 Maintainer:·Debian·Med·Packaging·Team·<debian-med-packaging@lists.alioth.debian.org>
6 Installed-Size:·1312656 Installed-Size:·131263
7 Depends:·libjs-jquery7 Depends:·libjs-jquery
8 Suggests:·libball1.58 Suggests:·libball1.5
9 Conflicts:·libball1.3-doc,·libball1.4-doc9 Conflicts:·libball1.3-doc,·libball1.4-doc
10 Section:·doc10 Section:·doc
11 Priority:·optional11 Priority:·optional
12 Multi-Arch:·foreign12 Multi-Arch:·foreign
13 Homepage:·http://www.ball-project.org/13 Homepage:·http://www.ball-project.org/
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./md5sums
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./usr/share/doc/libball1.5/html/BALL/d0/d00/a01286.html
    
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1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
6 <meta·name="generator"·content="Doxygen·1.9.8"/>6 <meta·name="generator"·content="Doxygen·1.9.8"/>
7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·antechamberFile.h·File·Reference</title>8 <title>BALL:·dockProgressDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">antechamberFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">dockProgressDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 85 <code>#include·&lt;QtCore/QDateTime&gt;</code><br·/>
 86 <code>#include·&lt;BALL/VIEW/UIC/ui_dockProgressDialog.h&gt;</code><br·/>
82 </div>87 </div>
83 <p><a·href="../../d0/d00/a01286_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d0/d00/a01286_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">89 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>91 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d69/a03834.html">BALL::AntechamberFile</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html">BALL::VIEW::DockProgressDialog</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>101 </table>
95 </div><!--·contents·-->102 </div><!--·contents·-->
96 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
99 </small></address>106 </small></address>
100 </body>107 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d5/d6c/a08471.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d6c/a08471.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DoubleEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DoubleEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::DoubleEditorWidget:</div>85 Inheritance·diagram·for·BALL::VIEW::DoubleEditorWidget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/d06/a08474.png"·usemap="#BALL::VIEW::DoubleEditorWidget_map"·alt=""/>88 ··<img·src="../../d0/d06/a08474.png"·usemap="#BALL::VIEW::DoubleEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::DoubleEditorWidget_map"·name="BALL::VIEW::DoubleEditorWidget_map">89 ··<map·id="BALL::VIEW::DoubleEditorWidget_map"·name="BALL::VIEW::DoubleEditorWidget_map">
90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,197,80"/>90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,197,80"/>
Offset 138, 15 lines modifiedOffset 138, 15 lines modified
138 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>138 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="aed3881868bc0b926f5d1e458ebee73e9"·name="aed3881868bc0b926f5d1e458ebee73e9"></a>147 <a·id="aed3881868bc0b926f5d1e458ebee73e9"·name="aed3881868bc0b926f5d1e458ebee73e9"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#aed3881868bc0b926f5d1e458ebee73e9">&#9670;&#160;</a></span>DoubleEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#aed3881868bc0b926f5d1e458ebee73e9">&#9670;&#160;</a></span>DoubleEditorWidget()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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Offset 75, 15 lines modifiedOffset 75, 15 lines modified
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../db/d27/a03907.html">List·of·all·members</a>··</div>77 <a·href="../../db/d27/a03907.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::GenericMolFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::GenericMolFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::GenericMolFile:</div>83 Inheritance·diagram·for·BALL::GenericMolFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/d0b/a03910.png"·usemap="#BALL::GenericMolFile_map"·alt=""/>86 ··<img·src="../../d0/d0b/a03910.png"·usemap="#BALL::GenericMolFile_map"·alt=""/>
87 ··<map·id="BALL::GenericMolFile_map"·name="BALL::GenericMolFile_map">87 ··<map·id="BALL::GenericMolFile_map"·name="BALL::GenericMolFile_map">
88 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>88 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>
Offset 396, 15 lines modifiedOffset 396, 15 lines modified
396 <div·class="textblock"><p>Base·class·for·all·molecule·file·format·classes.·This·class·provides·an·interface·for·all·molecular·structure·formats·(except·for·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files,·due·to·their·complex·and·capricious·structure·and·contents).·</p><dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·supports·two·type·of·operations:·reading/writing·single·molecules·and·reading/writing·systems·(i.e.·collections·of·molecules).·</dd></dl>396 <div·class="textblock"><p>Base·class·for·all·molecule·file·format·classes.·This·class·provides·an·interface·for·all·molecular·structure·formats·(except·for·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files,·due·to·their·complex·and·capricious·structure·and·contents).·</p><dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·supports·two·type·of·operations:·reading/writing·single·molecules·and·reading/writing·systems·(i.e.·collections·of·molecules).·</dd></dl>
397 <dl·class="section·user"><dt></dt><dd>When·reading·molecules,·the·structures·are·read·one·at·a·time·from·the·file·in·the·order·they·are·stored.·In·contrast,·reading·systems·retrieves·all·structures·contained·in·the·file.·For·file·formats·that·do·not·support·multiple·structure·in·a·file·(e.g.·the·MDL·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·),·those·two·operations·are·basically·equivalent.·A·fundamental·difference·however·is·the·fact·that·reading·a·molecule·<b>·create·</b>·a·new·molecule,·whereas·reading·a·system·adds·the·molecules·read·to·an·existing·instance·of·<a·class="el"·href="../../d7/db7/a02198.html">System·</a>·.·This·implies·that·the·system·has·to·be·cleared·prior·to·reading·a·system·if·that·incremental·behaviour·is·not·desired.·</dd></dl>397 <dl·class="section·user"><dt></dt><dd>When·reading·molecules,·the·structures·are·read·one·at·a·time·from·the·file·in·the·order·they·are·stored.·In·contrast,·reading·systems·retrieves·all·structures·contained·in·the·file.·For·file·formats·that·do·not·support·multiple·structure·in·a·file·(e.g.·the·MDL·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·),·those·two·operations·are·basically·equivalent.·A·fundamental·difference·however·is·the·fact·that·reading·a·molecule·<b>·create·</b>·a·new·molecule,·whereas·reading·a·system·adds·the·molecules·read·to·an·existing·instance·of·<a·class="el"·href="../../d7/db7/a02198.html">System·</a>·.·This·implies·that·the·system·has·to·be·cleared·prior·to·reading·a·system·if·that·incremental·behaviour·is·not·desired.·</dd></dl>
398 <dl·class="section·user"><dt></dt><dd>The·user·interface·of·the·class·is·mainly·provided·through·the·stream·operator.·A·typical·example·for·reading·a·structure·from·a·HyperChem·file·might·look·as·follows:·</dd></dl>398 <dl·class="section·user"><dt></dt><dd>The·user·interface·of·the·class·is·mainly·provided·through·the·stream·operator.·A·typical·example·for·reading·a·structure·from·a·HyperChem·file·might·look·as·follows:·</dd></dl>
399 <dl·class="section·user"><dt></dt><dd>\begin{verbatim}·<a·class="el"·href="../../de/d7e/a03914.html">HINFile</a>·hinfile(filename);·<a·class="el"·href="../../de/d04/a04774.html">System</a>·S;·hinfile·&gt;&gt;·S;·\end{verbatim}·This·interface·applies·to·all·derived·classes·as·well,·so·that·file·formats·can·be·exchanged·conveniently.·</dd></dl>399 <dl·class="section·user"><dt></dt><dd>\begin{verbatim}·<a·class="el"·href="../../de/d7e/a03914.html">HINFile</a>·hinfile(filename);·<a·class="el"·href="../../de/d04/a04774.html">System</a>·S;·hinfile·&gt;&gt;·S;·\end{verbatim}·This·interface·applies·to·all·derived·classes·as·well,·so·that·file·formats·can·be·exchanged·conveniently.·</dd></dl>
400 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·is·derived·from·<a·class="el"·href="../../dc/d61/a03950.html">LineBasedFile·</a>·since·most·molecular·structure·formats·are·line-based·tagged·formats,·often·containing·Fortran-style·formatted·sections.·<a·class="el"·href="../../dc/d61/a03950.html">LineBasedFile·</a>·provides·a·number·of·convenient·methods·to·parse·that·kind·of·format.·</dd></dl>400 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·is·derived·from·<a·class="el"·href="../../dc/d61/a03950.html">LineBasedFile·</a>·since·most·molecular·structure·formats·are·line-based·tagged·formats,·often·containing·Fortran-style·formatted·sections.·<a·class="el"·href="../../dc/d61/a03950.html">LineBasedFile·</a>·provides·a·number·of·convenient·methods·to·parse·that·kind·of·format.·</dd></dl>
401 <dl·class="section·user"><dt></dt><dd></dd></dl>401 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">genericMolFile.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">genericMolFile.h</a>.</p>
403 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>403 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
404 <a·id="a2ec9a5b10b4203c81672f89a4aad1ead"·name="a2ec9a5b10b4203c81672f89a4aad1ead"></a>404 <a·id="a2ec9a5b10b4203c81672f89a4aad1ead"·name="a2ec9a5b10b4203c81672f89a4aad1ead"></a>
405 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ec9a5b10b4203c81672f89a4aad1ead">&#9670;&#160;</a></span>GenericMolFile()·<span·class="overload">[1/2]</span></h2>405 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ec9a5b10b4203c81672f89a4aad1ead">&#9670;&#160;</a></span>GenericMolFile()·<span·class="overload">[1/2]</span></h2>
  
406 <div·class="memitem">406 <div·class="memitem">
407 <div·class="memproto">407 <div·class="memproto">
408 ······<table·class="memname">408 ······<table·class="memname">
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935 ··</td>935 ··</td>
936 ··<td·class="mlabels-right">936 ··<td·class="mlabels-right">
937 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>937 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
938 ··</tr>938 ··</tr>
939 </table>939 </table>
940 </div><div·class="memdoc">940 </div><div·class="memdoc">
  
941 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">genericMolFile.h</a>.</p>941 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">genericMolFile.h</a>.</p>
  
942 </div>942 </div>
943 </div>943 </div>
944 <a·id="a13428a0a52d5c99e674bf3c50dd15dd1"·name="a13428a0a52d5c99e674bf3c50dd15dd1"></a>944 <a·id="a13428a0a52d5c99e674bf3c50dd15dd1"·name="a13428a0a52d5c99e674bf3c50dd15dd1"></a>
945 <h2·class="memtitle"><span·class="permalink"><a·href="#a13428a0a52d5c99e674bf3c50dd15dd1">&#9670;&#160;</a></span>gmf_is_closed_</h2>945 <h2·class="memtitle"><span·class="permalink"><a·href="#a13428a0a52d5c99e674bf3c50dd15dd1">&#9670;&#160;</a></span>gmf_is_closed_</h2>
  
946 <div·class="memitem">946 <div·class="memitem">
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959 ··</td>959 ··</td>
960 ··<td·class="mlabels-right">960 ··<td·class="mlabels-right">
961 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>961 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
962 ··</tr>962 ··</tr>
963 </table>963 </table>
964 </div><div·class="memdoc">964 </div><div·class="memdoc">
  
965 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">genericMolFile.h</a>.</p>965 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">genericMolFile.h</a>.</p>
  
966 </div>966 </div>
967 </div>967 </div>
968 <a·id="aea05037e6c7896614248cb96341a30ab"·name="aea05037e6c7896614248cb96341a30ab"></a>968 <a·id="aea05037e6c7896614248cb96341a30ab"·name="aea05037e6c7896614248cb96341a30ab"></a>
969 <h2·class="memtitle"><span·class="permalink"><a·href="#aea05037e6c7896614248cb96341a30ab">&#9670;&#160;</a></span>input_is_temporary_</h2>969 <h2·class="memtitle"><span·class="permalink"><a·href="#aea05037e6c7896614248cb96341a30ab">&#9670;&#160;</a></span>input_is_temporary_</h2>
  
970 <div·class="memitem">970 <div·class="memitem">
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983 ··</td>983 ··</td>
984 ··<td·class="mlabels-right">984 ··<td·class="mlabels-right">
985 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>985 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
986 ··</tr>986 ··</tr>
987 </table>987 </table>
988 </div><div·class="memdoc">988 </div><div·class="memdoc">
  
989 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00194">194</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">genericMolFile.h</a>.</p>989 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00194">194</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">genericMolFile.h</a>.</p>
  
990 </div>990 </div>
991 </div>991 </div>
992 <a·id="a8d1394a2ca3f6724508eaff49ec76c9e"·name="a8d1394a2ca3f6724508eaff49ec76c9e"></a>992 <a·id="a8d1394a2ca3f6724508eaff49ec76c9e"·name="a8d1394a2ca3f6724508eaff49ec76c9e"></a>
993 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d1394a2ca3f6724508eaff49ec76c9e">&#9670;&#160;</a></span>zipped_filename_</h2>993 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d1394a2ca3f6724508eaff49ec76c9e">&#9670;&#160;</a></span>zipped_filename_</h2>
  
994 <div·class="memitem">994 <div·class="memitem">
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1007 ··</td>1007 ··</td>
1008 ··<td·class="mlabels-right">1008 ··<td·class="mlabels-right">
1009 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1009 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1010 ··</tr>1010 ··</tr>
1011 </table>1011 </table>
1012 </div><div·class="memdoc">1012 </div><div·class="memdoc">
  
1013 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">genericMolFile.h</a>.</p>1013 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">genericMolFile.h</a>.</p>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../db/d18/a05383.html">List·of·all·members</a>··</div>78 <a·href="../../db/d18/a05383.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Values·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Values·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc0/a01652_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aa36b3f484d171989ae1d99a9c9a35b22"·id="r_aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#aa36b3f484d171989ae1d99a9c9a35b22">A</a></td></tr>86 <tr·class="memitem:aa36b3f484d171989ae1d99a9c9a35b22"·id="r_aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#aa36b3f484d171989ae1d99a9c9a35b22">A</a></td></tr>
87 <tr·class="separator:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aa36b3f484d171989ae1d99a9c9a35b22"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a4aac64d3dc5d8a1d5ebacf85fb1dba48"·id="r_a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#a4aac64d3dc5d8a1d5ebacf85fb1dba48">B</a></td></tr>88 <tr·class="memitem:a4aac64d3dc5d8a1d5ebacf85fb1dba48"·id="r_a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d12/a05386.html#a4aac64d3dc5d8a1d5ebacf85fb1dba48">B</a></td></tr>
89 <tr·class="separator:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a4aac64d3dc5d8a1d5ebacf85fb1dba48"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">lennardJones.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="aa36b3f484d171989ae1d99a9c9a35b22"·name="aa36b3f484d171989ae1d99a9c9a35b22"></a>95 <a·id="aa36b3f484d171989ae1d99a9c9a35b22"·name="aa36b3f484d171989ae1d99a9c9a35b22"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#aa36b3f484d171989ae1d99a9c9a35b22">&#9670;&#160;</a></span>A</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#aa36b3f484d171989ae1d99a9c9a35b22">&#9670;&#160;</a></span>A</h2>
  
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100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::A</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::A</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">lennardJones.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="a4aac64d3dc5d8a1d5ebacf85fb1dba48"·name="a4aac64d3dc5d8a1d5ebacf85fb1dba48"></a>108 <a·id="a4aac64d3dc5d8a1d5ebacf85fb1dba48"·name="a4aac64d3dc5d8a1d5ebacf85fb1dba48"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4aac64d3dc5d8a1d5ebacf85fb1dba48">&#9670;&#160;</a></span>B</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4aac64d3dc5d8a1d5ebacf85fb1dba48">&#9670;&#160;</a></span>B</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::B</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::LennardJones::Values::B</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">lennardJones.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
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129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
88 Typedefs</h2></td></tr>88 Typedefs</h2></td></tr>
89 <tr·class="memitem:ga808e2bd9a407e4eef17cc493303bbbad"·id="r_ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td></tr>89 <tr·class="memitem:ga808e2bd9a407e4eef17cc493303bbbad"·id="r_ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td></tr>
90 <tr·class="separator:ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
93 Functions</h2></td></tr>93 Functions</h2></td></tr>
94 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·id="r_ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr>94 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·id="r_ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr>
95 <tr·class="separator:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <h2·class="groupheader">Typedef·Documentation</h2>98 <h2·class="groupheader">Typedef·Documentation</h2>
99 <a·id="ga808e2bd9a407e4eef17cc493303bbbad"·name="ga808e2bd9a407e4eef17cc493303bbbad"></a>99 <a·id="ga808e2bd9a407e4eef17cc493303bbbad"·name="ga808e2bd9a407e4eef17cc493303bbbad"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#ga808e2bd9a407e4eef17cc493303bbbad">&#9670;&#160;</a></span>EnergyProcessorList</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#ga808e2bd9a407e4eef17cc493303bbbad">&#9670;&#160;</a></span>EnergyProcessorList</h2>
  
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106 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>*&gt;·<a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td>106 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>*&gt;·<a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td>
107 ········</tr>107 ········</tr>
108 ······</table>108 ······</table>
109 </div><div·class="memdoc">109 </div><div·class="memdoc">
110 <p>EnergyProcessorList·</p>110 <p>EnergyProcessorList·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de4/a01346_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d9/de4/a01346_source.html">composedEnergyProcessor.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
  
112 </div>112 </div>
113 </div>113 </div>
114 <h2·class="groupheader">Function·Documentation</h2>114 <h2·class="groupheader">Function·Documentation</h2>
115 <a·id="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·name="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"></a>115 <a·id="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·name="ga8cb2233419a5e4c9e52e1d1ac34e1c7e"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">&#9670;&#160;</a></span>calculateACE()</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">&#9670;&#160;</a></span>calculateACE()</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
118 <div·class="memproto">118 <div·class="memproto">
119 ······<table·class="memname">119 ······<table·class="memname">
120 ········<tr>120 ········<tr>
121 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateACE·</td>121 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateACE·</td>
122 ··········<td>(</td>122 ··········<td>(</td>
123 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>123 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>
124 ··········<td·class="paramname"><em>atom_container</em>,·</td>124 ··········<td·class="paramname"><em>atom_container</em>,·</td>
125 ········</tr>125 ········</tr>
126 ········<tr>126 ········<tr>
127 ··········<td·class="paramkey"></td>127 ··········<td·class="paramkey"></td>
128 ··········<td></td>128 ··········<td></td>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/de6/a06355.html">List·of·all·members</a>··</div>78 <a·href="../../d2/de6/a06355.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RotationalEntropy·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RotationalEntropy·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/d51/a02000_source.html">BALL/SCORING/COMPONENTS/rotationalEntropy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/SCORING/COMPONENTS/rotationalEntropy.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::RotationalEntropy:</div>84 Inheritance·diagram·for·BALL::RotationalEntropy:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d14/a06358.png"·usemap="#BALL::RotationalEntropy_map"·alt=""/>87 ··<img·src="../../d0/d14/a06358.png"·usemap="#BALL::RotationalEntropy_map"·alt=""/>
88 ··<map·id="BALL::RotationalEntropy_map"·name="BALL::RotationalEntropy_map">88 ··<map·id="BALL::RotationalEntropy_map"·name="BALL::RotationalEntropy_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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184 </table>184 </table>
185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
186 <div·class="textblock">186 <div·class="textblock">
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d51/a02000_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../da/d51/a02000_source.html">rotationalEntropy.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">rotationalEntropy.h</a>.</p>
188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="a0656afed140a912c53a35800627bf846"·name="a0656afed140a912c53a35800627bf846"></a>189 <a·id="a0656afed140a912c53a35800627bf846"·name="a0656afed140a912c53a35800627bf846"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#a0656afed140a912c53a35800627bf846">&#9670;&#160;</a></span>RotationalEntropy()</h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#a0656afed140a912c53a35800627bf846">&#9670;&#160;</a></span>RotationalEntropy()</h2>
  
191 <div·class="memitem">191 <div·class="memitem">
192 <div·class="memproto">192 <div·class="memproto">
193 ······<table·class="memname">193 ······<table·class="memname">
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79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·T·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·T·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Kernel·predicate·class.··82 <p>Kernel·predicate·class.··
83 ·<a·href="../../d0/d15/a04574.html#details">More...</a></p>83 ·<a·href="../../d0/d15/a04574.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::KernelPredicate&lt;·T·&gt;:</div>86 Inheritance·diagram·for·BALL::KernelPredicate&lt;·T·&gt;:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d0/d15/a04574.png"·usemap="#BALL::KernelPredicate_3C_20T_20_3E_map"·alt=""/>89 ··<img·src="../../d0/d15/a04574.png"·usemap="#BALL::KernelPredicate_3C_20T_20_3E_map"·alt=""/>
90 ··<map·id="BALL::KernelPredicate_3C_20T_20_3E_map"·name="BALL::KernelPredicate_3C_20T_20_3E_map">90 ··<map·id="BALL::KernelPredicate_3C_20T_20_3E_map"·name="BALL::KernelPredicate_3C_20T_20_3E_map">
91 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>91 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>
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117 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>117 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>
118 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·T&gt;<br·/>121 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·T&gt;<br·/>
122 class·BALL::KernelPredicate&lt;·T·&gt;</div><p>Kernel·predicate·class.·</p>122 class·BALL::KernelPredicate&lt;·T·&gt;</div><p>Kernel·predicate·class.·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="a1ed67e3a04a621fbfd5d76aadc47e349"·name="a1ed67e3a04a621fbfd5d76aadc47e349"></a>125 <a·id="a1ed67e3a04a621fbfd5d76aadc47e349"·name="a1ed67e3a04a621fbfd5d76aadc47e349"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ed67e3a04a621fbfd5d76aadc47e349">&#9670;&#160;</a></span>~KernelPredicate()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ed67e3a04a621fbfd5d76aadc47e349">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 <div·class="memtemplate">129 <div·class="memtemplate">
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144 ··</td>144 ··</td>
145 ··<td·class="mlabels-right">145 ··<td·class="mlabels-right">
146 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>146 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
147 ··</tr>147 ··</tr>
148 </table>148 </table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
151 </div>151 </div>
152 </div>152 </div>
153 <h2·class="groupheader">Member·Function·Documentation</h2>153 <h2·class="groupheader">Member·Function·Documentation</h2>
154 <a·id="a49c02d7365cc876fb4d924b98fb8293f"·name="a49c02d7365cc876fb4d924b98fb8293f"></a>154 <a·id="a49c02d7365cc876fb4d924b98fb8293f"·name="a49c02d7365cc876fb4d924b98fb8293f"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#a49c02d7365cc876fb4d924b98fb8293f">&#9670;&#160;</a></span>operator()()</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#a49c02d7365cc876fb4d924b98fb8293f">&#9670;&#160;</a></span>operator()()</h2>
  
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177 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>177 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>
178 ··</tr>178 ··</tr>
179 </table>179 </table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>181 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 </div><!--·contents·-->185 </div><!--·contents·-->
186 <!--·start·footer·part·-->186 <!--·start·footer·part·-->
187 <hr·class="footer"/><address·class="footer"><small>187 <hr·class="footer"/><address·class="footer"><small>
188 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8188 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d8/d9b/a04067.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d9b/a04067.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::NMRSpectrometer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::NMRSpectrometer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:addc92b3d63cf2545df548f5b4537b9ce"·id="r_addc92b3d63cf2545df548f5b4537b9ce"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d18/a04070.html#addc92b3d63cf2545df548f5b4537b9ce">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>87 <tr·class="memitem:addc92b3d63cf2545df548f5b4537b9ce"·id="r_addc92b3d63cf2545df548f5b4537b9ce"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d18/a04070.html#addc92b3d63cf2545df548f5b4537b9ce">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>
88 <tr·class="separator:addc92b3d63cf2545df548f5b4537b9ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:addc92b3d63cf2545df548f5b4537b9ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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98 <tr·class="separator:a8601b8a1dc63f745d4123edfcb6720ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a8601b8a1dc63f745d4123edfcb6720ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:aa26b6e0fb3c67d443ede7d33cc8e0e0d"·id="r_aa26b6e0fb3c67d443ede7d33cc8e0e0d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d18/a04070.html#aa26b6e0fb3c67d443ede7d33cc8e0e0d">field_strength</a></td></tr>99 <tr·class="memitem:aa26b6e0fb3c67d443ede7d33cc8e0e0d"·id="r_aa26b6e0fb3c67d443ede7d33cc8e0e0d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d18/a04070.html#aa26b6e0fb3c67d443ede7d33cc8e0e0d">field_strength</a></td></tr>
100 <tr·class="separator:aa26b6e0fb3c67d443ede7d33cc8e0e0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:aa26b6e0fb3c67d443ede7d33cc8e0e0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p><a·class="el"·href="../../d0/d18/a04070.html">NMRSpectrometer</a>·This·class·includes·all·NMR·spectrometer·information.·All·members·are·public·for·easy·access.·</p>103 <div·class="textblock"><p><a·class="el"·href="../../d0/d18/a04070.html">NMRSpectrometer</a>·This·class·includes·all·NMR·spectrometer·information.·All·members·are·public·for·easy·access.·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00428">428</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00428">428</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
105 </div><h2·class="groupheader">Member·Function·Documentation</h2>105 </div><h2·class="groupheader">Member·Function·Documentation</h2>
106 <a·id="addc92b3d63cf2545df548f5b4537b9ce"·name="addc92b3d63cf2545df548f5b4537b9ce"></a>106 <a·id="addc92b3d63cf2545df548f5b4537b9ce"·name="addc92b3d63cf2545df548f5b4537b9ce"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#addc92b3d63cf2545df548f5b4537b9ce">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#addc92b3d63cf2545df548f5b4537b9ce">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 ······<table·class="memname">110 ······<table·class="memname">
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132 ········<tr>132 ········<tr>
133 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::NMRStarFile::NMRSpectrometer::field_strength</td>133 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::NMRStarFile::NMRSpectrometer::field_strength</td>
134 ········</tr>134 ········</tr>
135 ······</table>135 ······</table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <a·id="ad7d216442ab7a185101ac6692d500d24"·name="ad7d216442ab7a185101ac6692d500d24"></a>140 <a·id="ad7d216442ab7a185101ac6692d500d24"·name="ad7d216442ab7a185101ac6692d500d24"></a>
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78 <a·href="../../d1/d50/a05211.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d50/a05211.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a01505_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a8df4a98f344f4b85dfd54524a0d6b339"·id="r_a8df4a98f344f4b85dfd54524a0d6b339"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d19/a05214.html#a8df4a98f344f4b85dfd54524a0d6b339">IMPROVED</a></td></tr>86 <tr·class="memitem:a8df4a98f344f4b85dfd54524a0d6b339"·id="r_a8df4a98f344f4b85dfd54524a0d6b339"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d19/a05214.html#a8df4a98f344f4b85dfd54524a0d6b339">IMPROVED</a></td></tr>
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">StrangLBFGSMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>92 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">StrangLBFGSMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a01505_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../dc/dce/a01505_source.html">strangLBFGS.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
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113 ··</tr>113 ··</tr>
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115 </div><div·class="memdoc">115 </div><div·class="memdoc">
116 <p>Should·the·improved·version·be·used?·</p>116 <p>Should·the·improved·version·be·used?·</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a01505_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../dc/dce/a01505_source.html">strangLBFGS.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 <a·id="aaf38975d937a92415d3ab986f9674263"·name="aaf38975d937a92415d3ab986f9674263"></a>120 <a·id="aaf38975d937a92415d3ab986f9674263"·name="aaf38975d937a92415d3ab986f9674263"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#aaf38975d937a92415d3ab986f9674263">&#9670;&#160;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#aaf38975d937a92415d3ab986f9674263">&#9670;&#160;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
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138 ··</tr>138 ··</tr>
139 </table>139 </table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
141 <p>Maximum·number·of·stored·vector·pairs·</p>141 <p>Maximum·number·of·stored·vector·pairs·</p>
  
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143 </div>143 </div>
144 </div>144 </div>
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78 <a·href="../../d2/dc3/a06951.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dc3/a06951.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Method·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Method·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
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87 <tr·class="separator:af522bf9a72e68d071d6d5ac9acb09a97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:af522bf9a72e68d071d6d5ac9acb09a97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
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96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d0/d21/a06946.html#details">More...</a></p>83 ·<a·href="../../d0/d21/a06946.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:aad47ae6b0d188e669c347e41e66e5565"·id="r_aad47ae6b0d188e669c347e41e66e5565"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#aad47ae6b0d188e669c347e41e66e5565">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>88 <tr·class="memitem:aad47ae6b0d188e669c347e41e66e5565"·id="r_aad47ae6b0d188e669c347e41e66e5565"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#aad47ae6b0d188e669c347e41e66e5565">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>
89 <tr·class="separator:aad47ae6b0d188e669c347e41e66e5565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aad47ae6b0d188e669c347e41e66e5565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a44a63be63447a6957ed1c8596d33f624"·id="r_a44a63be63447a6957ed1c8596d33f624"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a44a63be63447a6957ed1c8596d33f624">ATOM_TYPE_FF_FILENAME</a></td></tr>90 <tr·class="memitem:a44a63be63447a6957ed1c8596d33f624"·id="r_a44a63be63447a6957ed1c8596d33f624"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a44a63be63447a6957ed1c8596d33f624">ATOM_TYPE_FF_FILENAME</a></td></tr>
91 <tr·class="separator:a44a63be63447a6957ed1c8596d33f624"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a44a63be63447a6957ed1c8596d33f624"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a409e0bf7f99a80a00a3366901f2eee5d"·id="r_a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a409e0bf7f99a80a00a3366901f2eee5d">METHOD</a></td></tr>92 <tr·class="memitem:a409e0bf7f99a80a00a3366901f2eee5d"·id="r_a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html#a409e0bf7f99a80a00a3366901f2eee5d">METHOD</a></td></tr>
93 <tr·class="separator:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a409e0bf7f99a80a00a3366901f2eee5d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.·</p>96 <div·class="textblock"><p><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.·</p>
  
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="a44a63be63447a6957ed1c8596d33f624"·name="a44a63be63447a6957ed1c8596d33f624"></a>99 <a·id="a44a63be63447a6957ed1c8596d33f624"·name="a44a63be63447a6957ed1c8596d33f624"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a44a63be63447a6957ed1c8596d33f624">&#9670;&#160;</a></span>ATOM_TYPE_FF_FILENAME</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a44a63be63447a6957ed1c8596d33f624">&#9670;&#160;</a></span>ATOM_TYPE_FF_FILENAME</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
121 <p>Name·to·the·file·where·the·atom·types,·corresponding·hybridisation·states,·and·bond·angles·are·stored·in·(force·field·based·method).·</p>121 <p>Name·to·the·file·where·the·atom·types,·corresponding·hybridisation·states,·and·bond·angles·are·stored·in·(force·field·based·method).·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="aad47ae6b0d188e669c347e41e66e5565"·name="aad47ae6b0d188e669c347e41e66e5565"></a>125 <a·id="aad47ae6b0d188e669c347e41e66e5565"·name="aad47ae6b0d188e669c347e41e66e5565"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#aad47ae6b0d188e669c347e41e66e5565">&#9670;&#160;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#aad47ae6b0d188e669c347e41e66e5565">&#9670;&#160;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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141 ··<td·class="mlabels-right">141 ··<td·class="mlabels-right">
142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
143 ··</tr>143 ··</tr>
144 </table>144 </table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p>Name·to·the·file·where·the·atom·types·and·corresponding·hybridisation·states·are·stored·in.·</p>146 <p>Name·to·the·file·where·the·atom·types·and·corresponding·hybridisation·states·are·stored·in.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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149 </div>149 </div>
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151 <h2·class="memtitle"><span·class="permalink"><a·href="#a409e0bf7f99a80a00a3366901f2eee5d">&#9670;&#160;</a></span>METHOD</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a409e0bf7f99a80a00a3366901f2eee5d">&#9670;&#160;</a></span>METHOD</h2>
  
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167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
168 ··</tr>168 ··</tr>
169 </table>169 </table>
170 </div><div·class="memdoc">170 </div><div·class="memdoc">
171 <p>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·Technique·to·compute·the·hybridisation·states.·</p>171 <p>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·Technique·to·compute·the·hybridisation·states.·</p>
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">HBondShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modelInformation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;map&gt;</code><br·/>82 <code>#include·&lt;QtCore/QCoreApplication&gt;</code><br·/>
87 </div>83 </div>
88 <p><a·href="../../d0/d22/a01049_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d0/d22/a01049_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">85 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>87 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc0/a05502.html">BALL::HBondShiftProcessor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html">BALL::VIEW::ModelInformation</a></td></tr>
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95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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102 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d09/a03139.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d09/a03139.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::Postcondition·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::Postcondition·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::Postcondition:</div>84 Inheritance·diagram·for·BALL::Exception::Postcondition:</div>
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86 ·<div·class="center">86 ·<div·class="center">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d0/d22/a03142.html">Postcondition</a>·failed.·A·postcondition·(as·defined·by·BALL_POSTCONDITION_EXCEPTION)·has·failed.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../d0/d22/a03142.html">Postcondition</a>·failed.·A·postcondition·(as·defined·by·BALL_POSTCONDITION_EXCEPTION)·has·failed.·</p>
  
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8 <title>BALL:·serverPreferences.h·File·Reference</title>8 <title>BALL:·plsModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">serverPreferences.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">plsModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>
86 </div>85 </div>
87 <p><a·href="../../d0/d29/a00470_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/d29/a00470_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">87 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 </div><!--·contents·-->100 </div><!--·contents·-->
102 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
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78 <a·href="../../d3/d0b/a06139.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d0b/a06139.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
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92 <div·class="textblock">92 <div·class="textblock">
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116 </div>116 </div>
117 </div>117 </div>
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119 <h2·class="memtitle"><span·class="permalink"><a·href="#a217626a2549e1b13a60d54a60e5ea5d4">&#9670;&#160;</a></span>SCOREGRID_RESOLUTION</h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a217626a2549e1b13a60d54a60e5ea5d4">&#9670;&#160;</a></span>SCOREGRID_RESOLUTION</h2>
  
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139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">surfaceBase.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">representationManager.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QCoreApplication&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/>
 85 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>86 </div>
83 <p><a·href="../../d0/d2b/a01010_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d0/d2b/a01010_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
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91 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>100 </table>
95 </div><!--·contents·-->101 </div><!--·contents·-->
96 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fragmentationalSolvation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">randomEvaluation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../d0/d2b/a01997_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/d2b/a01997_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>89 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d41/a06270.html">BALL::FragmentationalSolvation</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db0/a06414.html">BALL::RandomEvaluation</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/dea/a03391.html">List·of·all·members</a>··</div>78 <a·href="../../df/dea/a03391.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Bit::IllegalOperation·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Bit::IllegalOperation·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d81/a00110_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Bit::IllegalOperation:</div>84 Inheritance·diagram·for·BALL::Bit::IllegalOperation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d2b/a03394.png"·usemap="#BALL::Bit::IllegalOperation_map"·alt=""/>87 ··<img·src="../../d0/d2b/a03394.png"·usemap="#BALL::Bit::IllegalOperation_map"·alt=""/>
88 ··<map·id="BALL::Bit::IllegalOperation_map"·name="BALL::Bit::IllegalOperation_map">88 ··<map·id="BALL::Bit::IllegalOperation_map"·name="BALL::Bit::IllegalOperation_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·a·file·could·not·be·processed·right.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·a·file·could·not·be·processed·right.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d81/a00110_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/d81/a00110_source.html">bitVector.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="adaa95a0929224473c476a1c300376612"·name="adaa95a0929224473c476a1c300376612"></a>146 <a·id="adaa95a0929224473c476a1c300376612"·name="adaa95a0929224473c476a1c300376612"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#adaa95a0929224473c476a1c300376612">&#9670;&#160;</a></span>IllegalOperation()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#adaa95a0929224473c476a1c300376612">&#9670;&#160;</a></span>IllegalOperation()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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150 ······<table·class="memname">150 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/df9/a03555.html">List·of·all·members</a>··</div>77 <a·href="../../d1/df9/a03555.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Options·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Options·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Options:</div>83 Inheritance·diagram·for·BALL::Options:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/d31/a03558.png"·usemap="#BALL::Options_map"·alt=""/>86 ··<img·src="../../d0/d31/a03558.png"·usemap="#BALL::Options_map"·alt=""/>
87 ··<map·id="BALL::Options_map"·name="BALL::Options_map">87 ··<map·id="BALL::Options_map"·name="BALL::Options_map">
88 <area·href="../../de/d7e/a03618.html"·alt="BALL::StringHashMap&lt;·String·&gt;"·shape="rect"·coords="0,112,202,136"/>88 <area·href="../../de/d7e/a03618.html"·alt="BALL::StringHashMap&lt;·String·&gt;"·shape="rect"·coords="0,112,202,136"/>
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268 <tr·class="memitem:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"·id="r_ac967e9140caa4086aed12dfabb7aee83"><td·class="memItemLeft"·align="right"·valign="top">typedef·Base::const_iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html#ac967e9140caa4086aed12dfabb7aee83">ConstIterator</a></td></tr>268 <tr·class="memitem:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"·id="r_ac967e9140caa4086aed12dfabb7aee83"><td·class="memItemLeft"·align="right"·valign="top">typedef·Base::const_iterator&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de9/a03530.html#ac967e9140caa4086aed12dfabb7aee83">ConstIterator</a></td></tr>
269 <tr·class="separator:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memSeparator"·colspan="2">&#160;</td></tr>269 <tr·class="separator:ac967e9140caa4086aed12dfabb7aee83·inherit·pub_types_a03530"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
270 </table>270 </table>
271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>271 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
272 <div·class="textblock"><p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·class.·This·object·is·intended·to·store·options·for·complex·method·calls.·These·options·are·stored·as·key/value·pairs·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·</p><dl·class="section·user"><dt></dt><dd>Using·this·datastructure,·options·for·force·fields·(·<a·class="el"·href="../../d9/d65/a05074.html">ForceField·</a>·),·finit·difference·Poisson·Boltzmann·calculations·(·<a·class="el"·href="../../de/d3f/a06566.html">FDPB·</a>·),·or·the·results·of·calculations·can·be·given,·retrieved,·stored·into·a·file·and·retrieved·from·a·file.·This·simplifies·the·handling·of·such·complex·parameter·sets.·</dd></dl>272 <div·class="textblock"><p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·class.·This·object·is·intended·to·store·options·for·complex·method·calls.·These·options·are·stored·as·key/value·pairs·of·<a·class="el"·href="../../db/ddd/a02136.html">String·</a>·.·</p><dl·class="section·user"><dt></dt><dd>Using·this·datastructure,·options·for·force·fields·(·<a·class="el"·href="../../d9/d65/a05074.html">ForceField·</a>·),·finit·difference·Poisson·Boltzmann·calculations·(·<a·class="el"·href="../../de/d3f/a06566.html">FDPB·</a>·),·or·the·results·of·calculations·can·be·given,·retrieved,·stored·into·a·file·and·retrieved·from·a·file.·This·simplifies·the·handling·of·such·complex·parameter·sets.·</dd></dl>
273 <dl·class="section·user"><dt></dt><dd></dd></dl>273 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dec/a00080_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/dec/a00080_source.html">options.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
276 <a·id="a7dead9786c97efdd33334fa711b627f3"·name="a7dead9786c97efdd33334fa711b627f3"></a>276 <a·id="a7dead9786c97efdd33334fa711b627f3"·name="a7dead9786c97efdd33334fa711b627f3"></a>
277 <h2·class="memtitle"><span·class="permalink"><a·href="#a7dead9786c97efdd33334fa711b627f3">&#9670;&#160;</a></span>Options()·<span·class="overload">[1/2]</span></h2>277 <h2·class="memtitle"><span·class="permalink"><a·href="#a7dead9786c97efdd33334fa711b627f3">&#9670;&#160;</a></span>Options()·<span·class="overload">[1/2]</span></h2>
  
278 <div·class="memitem">278 <div·class="memitem">
279 <div·class="memproto">279 <div·class="memproto">
280 ······<table·class="memname">280 ······<table·class="memname">
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1343 ··</td>1343 ··</td>
1344 ··<td·class="mlabels-right">1344 ··<td·class="mlabels-right">
1345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1345 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1346 ··</tr>1346 ··</tr>
1347 </table>1347 </table>
1348 </div><div·class="memdoc">1348 </div><div·class="memdoc">
  
1349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dec/a00080_source.html#l00385">385</a>·of·file·<a·class="el"·href="../../da/dec/a00080_source.html">options.h</a>.</p>1349 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00385">385</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1350 </div>1350 </div>
1351 </div>1351 </div>
1352 <a·id="a649802215056eb020c5eaa7b7c24007b"·name="a649802215056eb020c5eaa7b7c24007b"></a>1352 <a·id="a649802215056eb020c5eaa7b7c24007b"·name="a649802215056eb020c5eaa7b7c24007b"></a>
1353 <h2·class="memtitle"><span·class="permalink"><a·href="#a649802215056eb020c5eaa7b7c24007b">&#9670;&#160;</a></span>MAX_ENTRY_LENGTH</h2>1353 <h2·class="memtitle"><span·class="permalink"><a·href="#a649802215056eb020c5eaa7b7c24007b">&#9670;&#160;</a></span>MAX_ENTRY_LENGTH</h2>
  
1354 <div·class="memitem">1354 <div·class="memitem">
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1368 ··<td·class="mlabels-right">1368 ··<td·class="mlabels-right">
1369 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1369 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1370 ··</tr>1370 ··</tr>
1371 </table>1371 </table>
1372 </div><div·class="memdoc">1372 </div><div·class="memdoc">
1373 <p>Maximum·length·for·each·entry·(key·+·value):·1024·byte.·@memo·</p>1373 <p>Maximum·length·for·each·entry·(key·+·value):·1024·byte.·@memo·</p>
  
1374 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dec/a00080_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/dec/a00080_source.html">options.h</a>.</p>1374 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1375 </div>1375 </div>
1376 </div>1376 </div>
1377 <a·id="ace319fe43bc18085e8fa9fdc729727e5"·name="ace319fe43bc18085e8fa9fdc729727e5"></a>1377 <a·id="ace319fe43bc18085e8fa9fdc729727e5"·name="ace319fe43bc18085e8fa9fdc729727e5"></a>
1378 <h2·class="memtitle"><span·class="permalink"><a·href="#ace319fe43bc18085e8fa9fdc729727e5">&#9670;&#160;</a></span>name_</h2>1378 <h2·class="memtitle"><span·class="permalink"><a·href="#ace319fe43bc18085e8fa9fdc729727e5">&#9670;&#160;</a></span>name_</h2>
  
1379 <div·class="memitem">1379 <div·class="memitem">
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1392 ··</td>1392 ··</td>
1393 ··<td·class="mlabels-right">1393 ··<td·class="mlabels-right">
1394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1394 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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1398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dec/a00080_source.html#l00384">384</a>·of·file·<a·class="el"·href="../../da/dec/a00080_source.html">options.h</a>.</p>1398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00384">384</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1399 </div>1399 </div>
1400 </div>1400 </div>
1401 <a·id="ace20fcdf49380b88e1661c7ad9989a43"·name="ace20fcdf49380b88e1661c7ad9989a43"></a>1401 <a·id="ace20fcdf49380b88e1661c7ad9989a43"·name="ace20fcdf49380b88e1661c7ad9989a43"></a>
1402 <h2·class="memtitle"><span·class="permalink"><a·href="#ace20fcdf49380b88e1661c7ad9989a43">&#9670;&#160;</a></span>subcategories_</h2>1402 <h2·class="memtitle"><span·class="permalink"><a·href="#ace20fcdf49380b88e1661c7ad9989a43">&#9670;&#160;</a></span>subcategories_</h2>
  
1403 <div·class="memitem">1403 <div·class="memitem">
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1416 ··</td>1416 ··</td>
1417 ··<td·class="mlabels-right">1417 ··<td·class="mlabels-right">
1418 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1418 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1419 ··</tr>1419 ··</tr>
1420 </table>1420 </table>
1421 </div><div·class="memdoc">1421 </div><div·class="memdoc">
  
1422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dec/a00080_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../da/dec/a00080_source.html">options.h</a>.</p>1422 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">options.h</a>.</p>
  
1423 </div>1423 </div>
1424 </div>1424 </div>
1425 </div><!--·contents·-->1425 </div><!--·contents·-->
1426 <!--·start·footer·part·-->1426 <!--·start·footer·part·-->
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;78 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
79 <a·href="../../d8/d03/a03871.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d03/a03871.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::CommandlineParser·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::CommandlineParser·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01316_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a127e4e30717f63707f357a5b7003e8f9"·id="r_a127e4e30717f63707f357a5b7003e8f9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a127e4e30717f63707f357a5b7003e8f9">CommandlineParser</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_description,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_version,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·build_date,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·category=&quot;&quot;)</td></tr>87 <tr·class="memitem:a127e4e30717f63707f357a5b7003e8f9"·id="r_a127e4e30717f63707f357a5b7003e8f9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a127e4e30717f63707f357a5b7003e8f9">CommandlineParser</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_description,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·tool_version,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·build_date,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·category=&quot;&quot;)</td></tr>
88 <tr·class="separator:a127e4e30717f63707f357a5b7003e8f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a127e4e30717f63707f357a5b7003e8f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a607dfe36613be83b3e2038da40fa93b8"·id="r_a607dfe36613be83b3e2038da40fa93b8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a607dfe36613be83b3e2038da40fa93b8">setToolManual</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;manual)</td></tr>89 <tr·class="memitem:a607dfe36613be83b3e2038da40fa93b8"·id="r_a607dfe36613be83b3e2038da40fa93b8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d34/a03874.html#a607dfe36613be83b3e2038da40fa93b8">setToolManual</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;manual)</td></tr>
90 <tr·class="separator:a607dfe36613be83b3e2038da40fa93b8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a607dfe36613be83b3e2038da40fa93b8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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191 <div·class="textblock"><p>Class·for·parsing·parameters·specified·on·the·command·line.<br··/>191 <div·class="textblock"><p>Class·for·parsing·parameters·specified·on·the·command·line.<br··/>
192 ·Register·the·parameters·and·flags·of·your·tool·with·registerParameter(),·resp.·<a·class="el"·href="../../d0/d34/a03874.html#a3e1b120e78735c4fd10686d69e94e1b7">registerFlag()</a>·and·have·the·command-line·parsed·with·<a·class="el"·href="../../d0/d34/a03874.html#af8372197711db0091e0ea97a72c208bc">parse()</a>.·After·this,·you·can·retrieve·the·values·of·all·parameters·with·<a·class="el"·href="../../d0/d34/a03874.html#aadb574ff70a1eb7bd00a3cce7bb0c6b9">get()</a>.<br··/>192 ·Register·the·parameters·and·flags·of·your·tool·with·registerParameter(),·resp.·<a·class="el"·href="../../d0/d34/a03874.html#a3e1b120e78735c4fd10686d69e94e1b7">registerFlag()</a>·and·have·the·command-line·parsed·with·<a·class="el"·href="../../d0/d34/a03874.html#af8372197711db0091e0ea97a72c208bc">parse()</a>.·After·this,·you·can·retrieve·the·values·of·all·parameters·with·<a·class="el"·href="../../d0/d34/a03874.html#aadb574ff70a1eb7bd00a3cce7bb0c6b9">get()</a>.<br··/>
193 ·In·addition·to·this,·you·can·also·register·a·tool-manual·text,·define·restrictions·on·parameters·and·register·file-formats·that·are·supported·for·in-·or·output-files.<br··/>193 ·In·addition·to·this,·you·can·also·register·a·tool-manual·text,·define·restrictions·on·parameters·and·register·file-formats·that·are·supported·for·in-·or·output-files.<br··/>
194 ·If·the·parameter·'-write_par·somefilename.xml'·is·given·to·the·program,·an·xml-based·parameter-file·will·be·automatically·written,·containing·the·specification·the·tool,·all·its·parameters·and·all·parameter·values·used·on·the·commend-line.<br··/>194 ·If·the·parameter·'-write_par·somefilename.xml'·is·given·to·the·program,·an·xml-based·parameter-file·will·be·automatically·written,·containing·the·specification·the·tool,·all·its·parameters·and·all·parameter·values·used·on·the·commend-line.<br··/>
195 ·If·the·parameter·'-par·somefilename.xml'·is·used,·such·a·file·can·be·read,·so·that·the·parameter-values·stored·in·it·will·be·used.·However,·if,·although·this·is·not·necessary,·parameters·(other·than·-par)·are·specified·on·the·command-line,·their·values·will·automatically·overload·those·stored·in·the·xml-file.</p>195 ·If·the·parameter·'-par·somefilename.xml'·is·used,·such·a·file·can·be·read,·so·that·the·parameter-values·stored·in·it·will·be·used.·However,·if,·although·this·is·not·necessary,·parameters·(other·than·-par)·are·specified·on·the·command-line,·their·values·will·automatically·overload·those·stored·in·the·xml-file.</p>
196 <p>The·parameter·'-env'·allows·to·differentiate·between·command·line·('cmdline')·behaviour·and·special·adaptions·to·workflow·systems·like·galaxy·or·knime.·</p>196 <p>The·parameter·'-env'·allows·to·differentiate·between·command·line·('cmdline')·behaviour·and·special·adaptions·to·workflow·systems·like·galaxy·or·knime.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">commandlineParser.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="a127e4e30717f63707f357a5b7003e8f9"·name="a127e4e30717f63707f357a5b7003e8f9"></a>199 <a·id="a127e4e30717f63707f357a5b7003e8f9"·name="a127e4e30717f63707f357a5b7003e8f9"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#a127e4e30717f63707f357a5b7003e8f9">&#9670;&#160;</a></span>CommandlineParser()</h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a127e4e30717f63707f357a5b7003e8f9">&#9670;&#160;</a></span>CommandlineParser()</h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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1590 ··</td>1590 ··</td>
1591 ··<td·class="mlabels-right">1591 ··<td·class="mlabels-right">
1592 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1592 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1593 ··</tr>1593 ··</tr>
1594 </table>1594 </table>
1595 </div><div·class="memdoc">1595 </div><div·class="memdoc">
  
1596 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">commandlineParser.h</a>.</p>1596 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
  
1597 </div>1597 </div>
1598 </div>1598 </div>
1599 <a·id="a9ad235c080a5b2a255fbaa76df9d9828"·name="a9ad235c080a5b2a255fbaa76df9d9828"></a>1599 <a·id="a9ad235c080a5b2a255fbaa76df9d9828"·name="a9ad235c080a5b2a255fbaa76df9d9828"></a>
1600 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ad235c080a5b2a255fbaa76df9d9828">&#9670;&#160;</a></span>NOT_FOUND</h2>1600 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ad235c080a5b2a255fbaa76df9d9828">&#9670;&#160;</a></span>NOT_FOUND</h2>
  
1601 <div·class="memitem">1601 <div·class="memitem">
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1614 ··</td>1614 ··</td>
1615 ··<td·class="mlabels-right">1615 ··<td·class="mlabels-right">
1616 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1616 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1617 ··</tr>1617 ··</tr>
1618 </table>1618 </table>
1619 </div><div·class="memdoc">1619 </div><div·class="memdoc">
  
1620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">commandlineParser.h</a>.</p>1620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">commandlineParser.h</a>.</p>
  
1621 </div>1621 </div>
1622 </div>1622 </div>
1623 </div><!--·contents·-->1623 </div><!--·contents·-->
1624 <!--·start·footer·part·-->1624 <!--·start·footer·part·-->
1625 <hr·class="footer"/><address·class="footer"><small>1625 <hr·class="footer"/><address·class="footer"><small>
1626 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.81626 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d3/dcd/a07303.html">List·of·all·members</a>··</div>77 <a·href="../../d3/dcd/a07303.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSAS·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSAS·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TriangulatedSAS:</div>83 Inheritance·diagram·for·BALL::TriangulatedSAS:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/d35/a07306.png"·usemap="#BALL::TriangulatedSAS_map"·alt=""/>86 ··<img·src="../../d0/d35/a07306.png"·usemap="#BALL::TriangulatedSAS_map"·alt=""/>
87 ··<map·id="BALL::TriangulatedSAS_map"·name="BALL::TriangulatedSAS_map">87 ··<map·id="BALL::TriangulatedSAS_map"·name="BALL::TriangulatedSAS_map">
88 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>88 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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256 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>256 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
257 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>257 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
258 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>258 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
259 </table>259 </table>
260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
261 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·Class.·&lt;&gt;·</p>261 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·Class.·&lt;&gt;·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
264 <a·id="a5f84359ddf680c8f675214f459a0997c"·name="a5f84359ddf680c8f675214f459a0997c"></a>264 <a·id="a5f84359ddf680c8f675214f459a0997c"·name="a5f84359ddf680c8f675214f459a0997c"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f84359ddf680c8f675214f459a0997c">&#9670;&#160;</a></span>TriangulatedSAS()·<span·class="overload">[1/3]</span></h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f84359ddf680c8f675214f459a0997c">&#9670;&#160;</a></span>TriangulatedSAS()·<span·class="overload">[1/3]</span></h2>
  
266 <div·class="memitem">266 <div·class="memitem">
267 <div·class="memproto">267 <div·class="memproto">
268 ······<table·class="memname">268 ······<table·class="memname">
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508 ··</td>508 ··</td>
509 ··<td·class="mlabels-right">509 ··<td·class="mlabels-right">
510 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>510 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
511 ··</tr>511 ··</tr>
512 </table>512 </table>
513 </div><div·class="memdoc">513 </div><div·class="memdoc">
  
514 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>514 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
515 </div>515 </div>
516 </div>516 </div>
517 <h2·class="groupheader">Member·Data·Documentation</h2>517 <h2·class="groupheader">Member·Data·Documentation</h2>
518 <a·id="a3593ed59dacf35e3fb9b9c7c78a247d9"·name="a3593ed59dacf35e3fb9b9c7c78a247d9"></a>518 <a·id="a3593ed59dacf35e3fb9b9c7c78a247d9"·name="a3593ed59dacf35e3fb9b9c7c78a247d9"></a>
519 <h2·class="memtitle"><span·class="permalink"><a·href="#a3593ed59dacf35e3fb9b9c7c78a247d9">&#9670;&#160;</a></span>density_</h2>519 <h2·class="memtitle"><span·class="permalink"><a·href="#a3593ed59dacf35e3fb9b9c7c78a247d9">&#9670;&#160;</a></span>density_</h2>
  
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533 ··</td>533 ··</td>
534 ··<td·class="mlabels-right">534 ··<td·class="mlabels-right">
535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
536 ··</tr>536 ··</tr>
537 </table>537 </table>
538 </div><div·class="memdoc">538 </div><div·class="memdoc">
  
539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00148">148</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00148">148</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
540 </div>540 </div>
541 </div>541 </div>
542 <a·id="abd6c5c37d75de2293a634d2c361bae92"·name="abd6c5c37d75de2293a634d2c361bae92"></a>542 <a·id="abd6c5c37d75de2293a634d2c361bae92"·name="abd6c5c37d75de2293a634d2c361bae92"></a>
543 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6c5c37d75de2293a634d2c361bae92">&#9670;&#160;</a></span>sas_</h2>543 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6c5c37d75de2293a634d2c361bae92">&#9670;&#160;</a></span>sas_</h2>
  
544 <div·class="memitem">544 <div·class="memitem">
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558 ··<td·class="mlabels-right">558 ··<td·class="mlabels-right">
559 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>559 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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563 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>563 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">visitor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">label.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
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83 <p><a·href="../../d0/d36/a01388_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d0/d36/a01388_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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95 </div><!--·contents·-->99 </div><!--·contents·-->
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98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
 69 <div·id="nav-path"·class="navpath">
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 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#namespaces">Namespaces</a>·&#124;
 77 <a·href="#func-members">Functions</a>··</div>
71 ··<div·class="headertitle"><div·class="title">structure.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">ooiEnergy.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code><br·/>
 83 </div>
 84 <p><a·href="../../d0/d36/a01916_source.html">Go·to·the·source·code·of·this·file.</a></p>
 85 <table·class="memberdecls">
 86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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 88 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
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77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CalculateFDPBThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CalculateFDPBThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::CalculateFDPBThread:</div>85 Inheritance·diagram·for·BALL::VIEW::CalculateFDPBThread:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/d36/a07986.png"·usemap="#BALL::VIEW::CalculateFDPBThread_map"·alt=""/>88 ··<img·src="../../d0/d36/a07986.png"·usemap="#BALL::VIEW::CalculateFDPBThread_map"·alt=""/>
89 ··<map·id="BALL::VIEW::CalculateFDPBThread_map"·name="BALL::VIEW::CalculateFDPBThread_map">89 ··<map·id="BALL::VIEW::CalculateFDPBThread_map"·name="BALL::VIEW::CalculateFDPBThread_map">
90 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,212,80"/>90 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,212,80"/>
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132 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<br·/></td></tr>132 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<br·/></td></tr>
133 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>134 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
135 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 </table>136 </table>
137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
138 <div·class="textblock">138 <div·class="textblock">
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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142 <h2·class="memtitle"><span·class="permalink"><a·href="#ae575b41aa31be8a015dcf65b03f5c18e">&#9670;&#160;</a></span>CalculateFDPBThread()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#ae575b41aa31be8a015dcf65b03f5c18e">&#9670;&#160;</a></span>CalculateFDPBThread()</h2>
  
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213 <h2·class="groupheader">Member·Data·Documentation</h2>213 <h2·class="groupheader">Member·Data·Documentation</h2>
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234 </div><div·class="memdoc">234 </div><div·class="memdoc">
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">geneticIndividual.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularStructure.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d8/d7a/a01292_source.html">BALL/VIEW/DIALOGS/amberConfigurationDialog.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01268_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/VIEW/DIALOGS/charmmConfigurationDialog.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d2/d4c/a01307_source.html">BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../dd/d39/a01271_source.html">BALL/VIEW/DIALOGS/assignBondOrderConfigurationDialog.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/VIEW/DIALOGS/assignBondOrderResultsDialog.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../dd/d9e/a01226_source.html">BALL/VIEW/DIALOGS/generateCrystalDialog.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code><br·/>91 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../dd/d32/a00041_source.html">BALL/MOLMEC/CHARMM/charmm.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>
 94 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
83 </div>95 </div>
84 <p><a·href="../../d0/d39/a01112_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../d0/d39/a01112_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">97 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 Namespaces</h2></td></tr>104 Namespaces</h2></td></tr>
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66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">nonlinearModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">DCDFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d0/d3c/a00971_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d0/d3c/a00971_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d95/a05786.html">BALL::QSAR::NonLinearModel</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d60/a03878.html">BALL::DCDFile</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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83 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::PropertiesForShift_·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::PropertiesForShift_·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
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146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
147 <div·class="textblock">147 <div·class="textblock">
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01070_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../d5/d67/a01070_source.html">empiricalHSShiftProcessor.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="abcc18e695393e95a560607e77fd1021f"·name="abcc18e695393e95a560607e77fd1021f"></a>150 <a·id="abcc18e695393e95a560607e77fd1021f"·name="abcc18e695393e95a560607e77fd1021f"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#abcc18e695393e95a560607e77fd1021f">&#9670;&#160;</a></span>PropertiesForShift_()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#abcc18e695393e95a560607e77fd1021f">&#9670;&#160;</a></span>PropertiesForShift_()</h2>
  
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619 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::EmpiricalHSShiftProcessor::PropertiesForShift_::current_atom</td>619 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::EmpiricalHSShiftProcessor::PropertiesForShift_::current_atom</td>
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622 </div><div·class="memdoc">622 </div><div·class="memdoc">
623 <p>A·pointer·to·the·atom,·whose·properties·are·computed·and·stored.·</p>623 <p>A·pointer·to·the·atom,·whose·properties·are·computed·and·stored.·</p>
  
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649 </div>649 </div>
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84 <code>#include·&lt;BALL/VIEW/UIC/ui_pythonSettings.h&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
86 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d0/d3e/a00566_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d0/d3e/a00566_source.html">Go·to·the·source·code·of·this·file.</a></p>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
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 99 <tr·class="memitem:a5a1d37bfd74850a659f3eedb6a62a01a"·id="r_a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3e/a00566.html#a5a1d37bfd74850a659f3eedb6a62a01a">BALL_NUCLEICACID_DEFAULT_ID</a>&#160;&#160;&#160;&quot;&quot;</td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
 102 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 103 <a·id="a5a1d37bfd74850a659f3eedb6a62a01a"·name="a5a1d37bfd74850a659f3eedb6a62a01a"></a>
 104 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a1d37bfd74850a659f3eedb6a62a01a">&#9670;&#160;</a></span>BALL_NUCLEICACID_DEFAULT_ID</h2>
  
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 108 ········<tr>
 109 ··········<td·class="memname">#define·BALL_NUCLEICACID_DEFAULT_ID&#160;&#160;&#160;&quot;&quot;</td>
 110 ········</tr>
 111 ······</table>
 112 </div><div·class="memdoc">
  
 113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3e/a00566_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d0/d3e/a00566_source.html">nucleicAcid.h</a>.</p>
  
 114 </div>
 115 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d6/d5e/a06299.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d5e/a06299.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Lipophilic:</div>84 Inheritance·diagram·for·BALL::Lipophilic:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d44/a06302.png"·usemap="#BALL::Lipophilic_map"·alt=""/>87 ··<img·src="../../d0/d44/a06302.png"·usemap="#BALL::Lipophilic_map"·alt=""/>
88 ··<map·id="BALL::Lipophilic_map"·name="BALL::Lipophilic_map">88 ··<map·id="BALL::Lipophilic_map"·name="BALL::Lipophilic_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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205 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>205 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
206 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>206 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
207 </table>207 </table>
208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
209 <div·class="textblock"><p>Fresno·lipophilic·component·</p>209 <div·class="textblock"><p>Fresno·lipophilic·component·</p>
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d46/a01967_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../de/d46/a01967_source.html">lipophilic.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">lipophilic.h</a>.</p>
211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
212 <a·id="a198f8b5602772dc72f96929a958ce8a3"·name="a198f8b5602772dc72f96929a958ce8a3"></a>212 <a·id="a198f8b5602772dc72f96929a958ce8a3"·name="a198f8b5602772dc72f96929a958ce8a3"></a>
213 <h2·class="memtitle"><span·class="permalink"><a·href="#a198f8b5602772dc72f96929a958ce8a3">&#9670;&#160;</a></span>Lipophilic()·<span·class="overload">[1/2]</span></h2>213 <h2·class="memtitle"><span·class="permalink"><a·href="#a198f8b5602772dc72f96929a958ce8a3">&#9670;&#160;</a></span>Lipophilic()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·secondaryStructureProcessor.h·File·Reference</title>8 <title>BALL:·SASVertex.h·File·Reference</title>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">secondaryStructureProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">SASVertex.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d0/d4a/a01862_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d0/d4a/a01862_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d40/a07158.html">BALL::SecondaryStructureProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dcc/a07138.html">BALL::SASVertex</a></td></tr>
91 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Secondary·structure·extraction·from·3D·structure.··<a·href="../../d1/d40/a07158.html#details">More...</a><br·/></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
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 98 Functions</h2></td></tr>
 99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 100 <tr·class="memitem:gaabdd319478a7cf1db2ec4c4dfcc5481f"·id="r_gaabdd319478a7cf1db2ec4c4dfcc5481f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaabdd319478a7cf1db2ec4c4dfcc5481f">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/dcc/a07138.html">SASVertex</a>·&amp;sasvertex)</td></tr>
 101 <tr·class="separator:gaabdd319478a7cf1db2ec4c4dfcc5481f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>102 </table>
99 </div><!--·contents·-->103 </div><!--·contents·-->
100 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::PubChemDownloader·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PubChemDownloader·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Downloads·PubChem·entries.··82 <p>Downloads·PubChem·entries.··
83 ·<a·href="../../d0/d4c/a04422.html#details">More...</a></p>83 ·<a·href="../../d0/d4c/a04422.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../de/d33/a01274_source.html">BALL/FORMAT/pubchemDownloader.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/da3/a00953_source.html">BALL/FORMAT/pubchemDownloader.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
87 Public·Member·Functions</h2></td></tr>87 Public·Member·Functions</h2></td></tr>
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93 <tr·class="separator:a442f11b21978019f8fecfeb0e9a448af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a442f11b21978019f8fecfeb0e9a448af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p>Downloads·PubChem·entries.·</p>96 <div·class="textblock"><p>Downloads·PubChem·entries.·</p>
97 <p>This·class·provides·a·simplistic,·blocking·interface·to·the·PubChem·REST·query·interface.·It·downloads·the·obtained·records·in·SDF·format·and·</p>97 <p>This·class·provides·a·simplistic,·blocking·interface·to·the·PubChem·REST·query·interface.·It·downloads·the·obtained·records·in·SDF·format·and·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d33/a01274_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../de/d33/a01274_source.html">pubchemDownloader.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da3/a00953_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/da3/a00953_source.html">pubchemDownloader.h</a>.</p>
99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>99 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
100 <a·id="a3bf2ac0e08a39dc99abeb39cf40b307f"·name="a3bf2ac0e08a39dc99abeb39cf40b307f"></a>100 <a·id="a3bf2ac0e08a39dc99abeb39cf40b307f"·name="a3bf2ac0e08a39dc99abeb39cf40b307f"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a3bf2ac0e08a39dc99abeb39cf40b307f">&#9670;&#160;</a></span>PubChemDownloader()</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a3bf2ac0e08a39dc99abeb39cf40b307f">&#9670;&#160;</a></span>PubChemDownloader()</h2>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d6/d7d/a04707.html">List·of·all·members</a>··</div>79 <a·href="../../d6/d7d/a04707.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NumberOfBondsPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NumberOfBondsPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::NumberOfBondsPredicate:</div>85 Inheritance·diagram·for·BALL::NumberOfBondsPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/d51/a04710.png"·usemap="#BALL::NumberOfBondsPredicate_map"·alt=""/>88 ··<img·src="../../d0/d51/a04710.png"·usemap="#BALL::NumberOfBondsPredicate_map"·alt=""/>
89 ··<map·id="BALL::NumberOfBondsPredicate_map"·name="BALL::NumberOfBondsPredicate_map">89 ··<map·id="BALL::NumberOfBondsPredicate_map"·name="BALL::NumberOfBondsPredicate_map">
90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="107,112,311,136"/>90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="107,112,311,136"/>
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138 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>138 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
139 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>139 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
140 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·a·certain·number·of·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·bond·to·make·this·predicate's·operator·()·()·return·true.·</p>143 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·a·certain·number·of·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·bond·to·make·this·predicate's·operator·()·()·return·true.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ac5506ac0513f1b987e22741f11702ce7"·name="ac5506ac0513f1b987e22741f11702ce7"></a>146 <a·id="ac5506ac0513f1b987e22741f11702ce7"·name="ac5506ac0513f1b987e22741f11702ce7"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5506ac0513f1b987e22741f11702ce7">&#9670;&#160;</a></span>NumberOfBondsPredicate()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac5506ac0513f1b987e22741f11702ce7">&#9670;&#160;</a></span>NumberOfBondsPredicate()</h2>
  
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8 <title>BALL:·modularWidgetPlugin.h·File·Reference</title>8 <title>BALL:·xray.doc·File·Reference</title>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">modularWidgetPlugin.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">xray.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
83 </div> 
84 <p><a·href="../../d0/d5c/a00668_source.html">Go·to·the·source·code·of·this·file.</a></p> 
85 <table·class="memberdecls"> 
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
87 Classes</h2></td></tr> 
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table> 
98 </div><!--·contents·-->74 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/d72/a05567.html">List·of·all·members</a>··</div>77 <a·href="../../d2/d72/a05567.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PyDatasetVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PyDatasetVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d42/a01463_source.html">BALL/PYTHON/EXTENSIONS/pyDatasetVector.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a00305_source.html">BALL/PYTHON/EXTENSIONS/pyDatasetVector.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PyDatasetVector:</div>83 Inheritance·diagram·for·BALL::PyDatasetVector:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/d5e/a05570.png"·alt=""/>86 ··<img·src="../../d0/d5e/a05570.png"·alt=""/>
87 ·</div></div>87 ·</div></div>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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116 <tr·class="memitem:a7d4d0c12974e230560b95ede833e65d5"·id="r_a7d4d0c12974e230560b95ede833e65d5"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">~PyDatasetVector</a>·()··throw·()</td></tr>116 <tr·class="memitem:a7d4d0c12974e230560b95ede833e65d5"·id="r_a7d4d0c12974e230560b95ede833e65d5"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d5e/a05570.html#a7d4d0c12974e230560b95ede833e65d5">~PyDatasetVector</a>·()··throw·()</td></tr>
117 <tr·class="memdesc:a7d4d0c12974e230560b95ede833e65d5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>117 <tr·class="memdesc:a7d4d0c12974e230560b95ede833e65d5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>
118 <tr·class="separator:a7d4d0c12974e230560b95ede833e65d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a7d4d0c12974e230560b95ede833e65d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p>Equivalent·for·a·STL::Vector·of·Dataset·Pointers·in·Python·</p>121 <div·class="textblock"><p>Equivalent·for·a·STL::Vector·of·Dataset·Pointers·in·Python·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">pyDatasetVector.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
123 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>123 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
124 <a·id="aea1c6c91fb36fc6ca4d3340ad44da75c"·name="aea1c6c91fb36fc6ca4d3340ad44da75c"></a>124 <a·id="aea1c6c91fb36fc6ca4d3340ad44da75c"·name="aea1c6c91fb36fc6ca4d3340ad44da75c"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#aea1c6c91fb36fc6ca4d3340ad44da75c">&#9670;&#160;</a></span>ConstIterator</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#aea1c6c91fb36fc6ca4d3340ad44da75c">&#9670;&#160;</a></span>ConstIterator</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
127 <div·class="memproto">127 <div·class="memproto">
128 ······<table·class="memname">128 ······<table·class="memname">
129 ········<tr>129 ········<tr>
130 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/d5e/a05570.html#aea1c6c91fb36fc6ca4d3340ad44da75c">BALL::PyDatasetVector::ConstIterator</a></td>130 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/d5e/a05570.html#aea1c6c91fb36fc6ca4d3340ad44da75c">BALL::PyDatasetVector::ConstIterator</a></td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
134 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>134 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">pyDatasetVector.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 <a·id="a636e928c2906fece1fa53aada51d5c58"·name="a636e928c2906fece1fa53aada51d5c58"></a>138 <a·id="a636e928c2906fece1fa53aada51d5c58"·name="a636e928c2906fece1fa53aada51d5c58"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a636e928c2906fece1fa53aada51d5c58">&#9670;&#160;</a></span>Iterator</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a636e928c2906fece1fa53aada51d5c58">&#9670;&#160;</a></span>Iterator</h2>
  
140 <div·class="memitem">140 <div·class="memitem">
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148 ········<tr>148 ········<tr>
149 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*&gt;::iterator·<a·class="el"·href="../../d0/d5e/a05570.html#a636e928c2906fece1fa53aada51d5c58">BALL::PyDatasetVector::Iterator</a></td>149 ··········<td·class="memname">typedef·vector&lt;<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*&gt;::iterator·<a·class="el"·href="../../d0/d5e/a05570.html#a636e928c2906fece1fa53aada51d5c58">BALL::PyDatasetVector::Iterator</a></td>
150 ········</tr>150 ········</tr>
151 ······</table>151 ······</table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
153 <p>Iterator·type.·</p>153 <p>Iterator·type.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">pyDatasetVector.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
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158 <h2·class="memtitle"><span·class="permalink"><a·href="#a91a170a8ff564585bd3e09b845d11454">&#9670;&#160;</a></span>PointerType</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a91a170a8ff564585bd3e09b845d11454">&#9670;&#160;</a></span>PointerType</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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165 ········<tr>165 ········<tr>
166 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>**·<a·class="el"·href="../../d0/d5e/a05570.html#a91a170a8ff564585bd3e09b845d11454">BALL::PyDatasetVector::PointerType</a></td>166 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>**·<a·class="el"·href="../../d0/d5e/a05570.html#a91a170a8ff564585bd3e09b845d11454">BALL::PyDatasetVector::PointerType</a></td>
167 ········</tr>167 ········</tr>
168 ······</table>168 ······</table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
170 <p>Pointer·type·</p>170 <p>Pointer·type·</p>
  
171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">pyDatasetVector.h</a>.</p>171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
172 </div>172 </div>
173 </div>173 </div>
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175 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a9948080bf83116653cf3e587c6383d">&#9670;&#160;</a></span>ValueType</h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a9948080bf83116653cf3e587c6383d">&#9670;&#160;</a></span>ValueType</h2>
  
176 <div·class="memitem">176 <div·class="memitem">
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182 ········<tr>182 ········<tr>
183 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*·<a·class="el"·href="../../d0/d5e/a05570.html#a5a9948080bf83116653cf3e587c6383d">BALL::PyDatasetVector::ValueType</a></td>183 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/d74/a07478.html">BALL::VIEW::Dataset</a>*·<a·class="el"·href="../../d0/d5e/a05570.html#a5a9948080bf83116653cf3e587c6383d">BALL::PyDatasetVector::ValueType</a></td>
184 ········</tr>184 ········</tr>
185 ······</table>185 ······</table>
186 </div><div·class="memdoc">186 </div><div·class="memdoc">
187 <p>Dataset*·type·</p>187 <p>Dataset*·type·</p>
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">pyDatasetVector.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">pyDatasetVector.h</a>.</p>
  
189 </div>189 </div>
190 </div>190 </div>
191 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>191 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
192 <a·id="a4a28c9c413a6d81a15268766489945a8"·name="a4a28c9c413a6d81a15268766489945a8"></a>192 <a·id="a4a28c9c413a6d81a15268766489945a8"·name="a4a28c9c413a6d81a15268766489945a8"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a28c9c413a6d81a15268766489945a8">&#9670;&#160;</a></span>PyDatasetVector()·<span·class="overload">[1/3]</span></h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a28c9c413a6d81a15268766489945a8">&#9670;&#160;</a></span>PyDatasetVector()·<span·class="overload">[1/3]</span></h2>
  
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8 <title>BALL:·sideChainOptimizer.h·File·Reference</title>8 <title>BALL:·HTMLView.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">sideChainOptimizer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">HTMLView.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d8e/a01898_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>82 <code>#include·&lt;BALL/VIEW/UIC/ui_HTMLViewErrorWidget.h&gt;</code><br·/>
83 <code>#include·&lt;set&gt;</code><br·/>83 <code>#include·&lt;QtCore/QUrl&gt;</code><br·/>
84 <code>#include·&lt;list&gt;</code><br·/>84 <code>#include·&lt;QtWebEngineWidgets/QWebEngineView&gt;</code><br·/>
85 </div>85 </div>
86 <p><a·href="../../d0/d61/a01130_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/d61/a01130_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">87 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>89 Classes</h2></td></tr>
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90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html">BALL::SideChainOptimizer</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html">BALL::VIEW::HTMLView</a></td></tr>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">TRRFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">bondProperties.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dd5/a01244_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_bondProperties.h&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d0/d67/a01232_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d0/d67/a01232_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/df5/a04458.html">BALL::TRRFile::TRRHeader</a></td></tr> 
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95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d5e/a04655.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d5e/a04655.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AtomTypePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AtomTypePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AtomTypePredicate:</div>84 Inheritance·diagram·for·BALL::AtomTypePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d70/a04658.png"·usemap="#BALL::AtomTypePredicate_map"·alt=""/>87 ··<img·src="../../d0/d70/a04658.png"·usemap="#BALL::AtomTypePredicate_map"·alt=""/>
88 ··<map·id="BALL::AtomTypePredicate_map"·name="BALL::AtomTypePredicate_map">88 ··<map·id="BALL::AtomTypePredicate_map"·name="BALL::AtomTypePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
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130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·atom·types.·Returns·<code>true</code>,·if·the·type·name·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·atom·types.·Returns·<code>true</code>,·if·the·type·name·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="af6b134a31aad59351d207b7ff4a61b0c"·name="af6b134a31aad59351d207b7ff4a61b0c"></a>134 <a·id="af6b134a31aad59351d207b7ff4a61b0c"·name="af6b134a31aad59351d207b7ff4a61b0c"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#af6b134a31aad59351d207b7ff4a61b0c">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#af6b134a31aad59351d207b7ff4a61b0c">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
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78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d1/d46/a03691.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d46/a03691.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterProperties·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterProperties·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a41fa45a16693f60243230829b1c5171e"·id="r_a41fa45a16693f60243230829b1c5171e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#a41fa45a16693f60243230829b1c5171e">ClusterProperties</a>·()</td></tr>87 <tr·class="memitem:a41fa45a16693f60243230829b1c5171e"·id="r_a41fa45a16693f60243230829b1c5171e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#a41fa45a16693f60243230829b1c5171e">ClusterProperties</a>·()</td></tr>
88 <tr·class="separator:a41fa45a16693f60243230829b1c5171e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a41fa45a16693f60243230829b1c5171e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ade2d03c3c1016d74dda5efcdd0a0c0b3"·id="r_ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ade2d03c3c1016d74dda5efcdd0a0c0b3">ClusterProperties</a>·(const·<a·class="el"·href="../../d0/d76/a03694.html">ClusterProperties</a>·&amp;)</td></tr>89 <tr·class="memitem:ade2d03c3c1016d74dda5efcdd0a0c0b3"·id="r_ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ade2d03c3c1016d74dda5efcdd0a0c0b3">ClusterProperties</a>·(const·<a·class="el"·href="../../d0/d76/a03694.html">ClusterProperties</a>·&amp;)</td></tr>
90 <tr·class="separator:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ade2d03c3c1016d74dda5efcdd0a0c0b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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108 <tr·class="memitem:ae39fc14e9736a8e1d6b0160b94868e19"·id="r_ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memItemLeft"·align="right"·valign="top">boost::variant&lt;·Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ae39fc14e9736a8e1d6b0160b94868e19">center</a></td></tr>108 <tr·class="memitem:ae39fc14e9736a8e1d6b0160b94868e19"·id="r_ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memItemLeft"·align="right"·valign="top">boost::variant&lt;·Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ae39fc14e9736a8e1d6b0160b94868e19">center</a></td></tr>
109 <tr·class="separator:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:ae39fc14e9736a8e1d6b0160b94868e19"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:ad37fb903691ddd2cf09d44a9da888e5b"·id="r_ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ad37fb903691ddd2cf09d44a9da888e5b">merged_at</a></td></tr>110 <tr·class="memitem:ad37fb903691ddd2cf09d44a9da888e5b"·id="r_ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d76/a03694.html#ad37fb903691ddd2cf09d44a9da888e5b">merged_at</a></td></tr>
111 <tr·class="separator:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:ad37fb903691ddd2cf09d44a9da888e5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a41fa45a16693f60243230829b1c5171e"·name="a41fa45a16693f60243230829b1c5171e"></a>117 <a·id="a41fa45a16693f60243230829b1c5171e"·name="a41fa45a16693f60243230829b1c5171e"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a41fa45a16693f60243230829b1c5171e">&#9670;&#160;</a></span>ClusterProperties()·<span·class="overload">[1/3]</span></h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a41fa45a16693f60243230829b1c5171e">&#9670;&#160;</a></span>ClusterProperties()·<span·class="overload">[1/3]</span></h2>
  
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246 ··········<td·class="memname">boost::variant&lt;Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>&gt;·BALL::PoseClustering::ClusterProperties::center</td>246 ··········<td·class="memname">boost::variant&lt;Eigen::VectorXf,·<a·class="el"·href="../../d4/d5e/a03686.html">RigidTransformation</a>&gt;·BALL::PoseClustering::ClusterProperties::center</td>
247 ········</tr>247 ········</tr>
248 ······</table>248 ······</table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
250 <p>The·center·of·the·cluster.·Depending·on·the·type·of·transformations·we·allow,·this·is·either·stored·as·a·rigid·transformation·or·as·the·3N-dimensional·vector·given·by·the·atom·coordinates.·The·special·case·of·using·only·the·center·of·mass·is·achieved·by·setting·the·rotation·matrix·to·identity.·</p>250 <p>The·center·of·the·cluster.·Depending·on·the·type·of·transformations·we·allow,·this·is·either·stored·as·a·rigid·transformation·or·as·the·3N-dimensional·vector·given·by·the·atom·coordinates.·The·special·case·of·using·only·the·center·of·mass·is·achieved·by·setting·the·rotation·matrix·to·identity.·</p>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
252 </div>252 </div>
253 </div>253 </div>
254 <a·id="ad37fb903691ddd2cf09d44a9da888e5b"·name="ad37fb903691ddd2cf09d44a9da888e5b"></a>254 <a·id="ad37fb903691ddd2cf09d44a9da888e5b"·name="ad37fb903691ddd2cf09d44a9da888e5b"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#ad37fb903691ddd2cf09d44a9da888e5b">&#9670;&#160;</a></span>merged_at</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#ad37fb903691ddd2cf09d44a9da888e5b">&#9670;&#160;</a></span>merged_at</h2>
  
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263 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::PoseClustering::ClusterProperties::merged_at</td>263 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::PoseClustering::ClusterProperties::merged_at</td>
264 ········</tr>264 ········</tr>
265 ······</table>265 ······</table>
266 </div><div·class="memdoc">266 </div><div·class="memdoc">
267 <p>The·value·at·which·this·cluster·is·merged·with·its·sibling.·</p>267 <p>The·value·at·which·this·cluster·is·merged·with·its·sibling.·</p>
  
268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
269 </div>269 </div>
270 </div>270 </div>
271 <a·id="abb0c33758ae8b9f747fa6a956263b35e"·name="abb0c33758ae8b9f747fa6a956263b35e"></a>271 <a·id="abb0c33758ae8b9f747fa6a956263b35e"·name="abb0c33758ae8b9f747fa6a956263b35e"></a>
272 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0c33758ae8b9f747fa6a956263b35e">&#9670;&#160;</a></span>poses</h2>272 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0c33758ae8b9f747fa6a956263b35e">&#9670;&#160;</a></span>poses</h2>
  
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280 ··········<td·class="memname">std::set&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::PoseClustering::ClusterProperties::poses</td>280 ··········<td·class="memname">std::set&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::PoseClustering::ClusterProperties::poses</td>
281 ········</tr>281 ········</tr>
282 ······</table>282 ······</table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
284 <p>The·poses·contained·in·this·cluster.·</p>284 <p>The·poses·contained·in·this·cluster.·</p>
  
285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>285 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
286 </div>286 </div>
287 </div>287 </div>
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289 <h2·class="memtitle"><span·class="permalink"><a·href="#a6fe96c9030d053ea317c93e1ed6f0bae">&#9670;&#160;</a></span>size</h2>289 <h2·class="memtitle"><span·class="permalink"><a·href="#a6fe96c9030d053ea317c93e1ed6f0bae">&#9670;&#160;</a></span>size</h2>
  
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297 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PoseClustering::ClusterProperties::size</td>297 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PoseClustering::ClusterProperties::size</td>
298 ········</tr>298 ········</tr>
299 ······</table>299 ······</table>
300 </div><div·class="memdoc">300 </div><div·class="memdoc">
301 <p>The·number·of·poses·contained·in·this·cluster.·</p>301 <p>The·number·of·poses·contained·in·this·cluster.·</p>
  
302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00250">250</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>302 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00250">250</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
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80 </div><!--header-->80 </div><!--header-->
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82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
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86 <p><a·href="../../d0/d78/a01745_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/d78/a01745_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">bondOrderAssignment.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">RSVertex.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d0/d79/a01766_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d0/d79/a01766_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d22/a06722.html">BALL::BondOrderAssignment</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a07126.html">BALL::RSVertex</a></td></tr>
90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·solution·to·the·bond·order·assignment·problem.··<a·href="../../d0/d22/a06722.html#details">More...</a><br·/></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 </table><table·class="memberdecls">
 95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 96 Functions</h2></td></tr>
 97 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 98 <tr·class="memitem:ga7f5ef705f805eba2df93fb129137793e"·id="r_ga7f5ef705f805eba2df93fb129137793e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f5ef705f805eba2df93fb129137793e">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d8/dc2/a07126.html">RSVertex</a>·&amp;rsvertex)</td></tr>
 99 <tr·class="separator:ga7f5ef705f805eba2df93fb129137793e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>100 </table>
98 </div><!--·contents·-->101 </div><!--·contents·-->
99 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d6f/a03315.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d6f/a03315.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::UnaryPredicate&lt;·T·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::UnaryPredicate&lt;·T·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d33/a20356_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::UnaryPredicate&lt;·T·&gt;:</div>84 Inheritance·diagram·for·BALL::UnaryPredicate&lt;·T·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d7c/a03318.png"·alt=""/>87 ··<img·src="../../d0/d7c/a03318.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
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96 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·T·&amp;)·const</td></tr>96 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·T·&amp;)·const</td></tr>
97 <tr·class="separator:a58024bee9a55242839b214d7e45d067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a58024bee9a55242839b214d7e45d067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
101 class·BALL::UnaryPredicate&lt;·T·&gt;</div><p>Generic·Unary·Predicate·Class·</p>101 class·BALL::UnaryPredicate&lt;·T·&gt;</div><p>Generic·Unary·Predicate·Class·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d33/a20356_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d1/d33/a20356_source.html">CONCEPT/predicate.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">CONCEPT/predicate.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="af40a8c0bd6cf2bafaa4f0b1aad210eb9"·name="af40a8c0bd6cf2bafaa4f0b1aad210eb9"></a>104 <a·id="af40a8c0bd6cf2bafaa4f0b1aad210eb9"·name="af40a8c0bd6cf2bafaa4f0b1aad210eb9"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#af40a8c0bd6cf2bafaa4f0b1aad210eb9">&#9670;&#160;</a></span>~UnaryPredicate()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#af40a8c0bd6cf2bafaa4f0b1aad210eb9">&#9670;&#160;</a></span>~UnaryPredicate()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <div·class="memtemplate">108 <div·class="memtemplate">
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123 ··</td>123 ··</td>
124 ··<td·class="mlabels-right">124 ··<td·class="mlabels-right">
125 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>125 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
126 ··</tr>126 ··</tr>
127 </table>127 </table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d33/a20356_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/d33/a20356_source.html">CONCEPT/predicate.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">CONCEPT/predicate.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <h2·class="groupheader">Member·Function·Documentation</h2>132 <h2·class="groupheader">Member·Function·Documentation</h2>
133 <a·id="a58024bee9a55242839b214d7e45d067c"·name="a58024bee9a55242839b214d7e45d067c"></a>133 <a·id="a58024bee9a55242839b214d7e45d067c"·name="a58024bee9a55242839b214d7e45d067c"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a58024bee9a55242839b214d7e45d067c">&#9670;&#160;</a></span>operator()()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a58024bee9a55242839b214d7e45d067c">&#9670;&#160;</a></span>operator()()</h2>
  
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154 ··</td>154 ··</td>
155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d33/a20356_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d1/d33/a20356_source.html">CONCEPT/predicate.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">CONCEPT/predicate.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 </div><!--·contents·-->163 </div><!--·contents·-->
164 <!--·start·footer·part·-->164 <!--·start·footer·part·-->
165 <hr·class="footer"/><address·class="footer"><small>165 <hr·class="footer"/><address·class="footer"><small>
166 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8166 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d36/a03135.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d36/a03135.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::Precondition·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::Precondition·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::Precondition:</div>84 Inheritance·diagram·for·BALL::Exception::Precondition:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/d7e/a03138.png"·usemap="#BALL::Exception::Precondition_map"·alt=""/>87 ··<img·src="../../d0/d7e/a03138.png"·usemap="#BALL::Exception::Precondition_map"·alt=""/>
88 ··<map·id="BALL::Exception::Precondition_map"·name="BALL::Exception::Precondition_map">88 ··<map·id="BALL::Exception::Precondition_map"·name="BALL::Exception::Precondition_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d0/d7e/a03138.html">Precondition</a>·failed.·A·precondition·(as·defined·by·BALL_PRECONDITION_EXCEPTION)·has·failed.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../d0/d7e/a03138.html">Precondition</a>·failed.·A·precondition·(as·defined·by·BALL_PRECONDITION_EXCEPTION)·has·failed.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00398">398</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00398">398</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a44f1939eee5d2d3fbd22f7ff2b78d043"·name="a44f1939eee5d2d3fbd22f7ff2b78d043"></a>146 <a·id="a44f1939eee5d2d3fbd22f7ff2b78d043"·name="a44f1939eee5d2d3fbd22f7ff2b78d043"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a44f1939eee5d2d3fbd22f7ff2b78d043">&#9670;&#160;</a></span>Precondition()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a44f1939eee5d2d3fbd22f7ff2b78d043">&#9670;&#160;</a></span>Precondition()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/db9/a04591.html">List·of·all·members</a>··</div>78 <a·href="../../d7/db9/a04591.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Residue·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Residue·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Residue·&gt;:</div>84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Residue·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>
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114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>
115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a3c14c4869a33dee9684b351c602f9db5"·name="a3c14c4869a33dee9684b351c602f9db5"></a>121 <a·id="a3c14c4869a33dee9684b351c602f9db5"·name="a3c14c4869a33dee9684b351c602f9db5"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c14c4869a33dee9684b351c602f9db5">&#9670;&#160;</a></span>~KernelPredicate()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c14c4869a33dee9684b351c602f9db5">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
147 <a·id="a170682f84326b1c4b2f6fc8229dfb4c6"·name="a170682f84326b1c4b2f6fc8229dfb4c6"></a>147 <a·id="a170682f84326b1c4b2f6fc8229dfb4c6"·name="a170682f84326b1c4b2f6fc8229dfb4c6"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a170682f84326b1c4b2f6fc8229dfb4c6">&#9670;&#160;</a></span>operator()()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a170682f84326b1c4b2f6fc8229dfb4c6">&#9670;&#160;</a></span>operator()()</h2>
  
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168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
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75 ··<div·class="headertitle"><div·class="title">system.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">concept.doc·File·Reference</div></div>
76 </div><!--header-->72 </div><!--header-->
77 <div·class="contents">73 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/SYSTEM/directory.h</a>&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;BALL/SYSTEM/socket.h&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/> 
83 </div> 
84 <p><a·href="../../d0/d82/a00857_source.html">Go·to·the·source·code·of·this·file.</a></p> 
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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76 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
77 <a·href="#func-members">Functions</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">distanceCoulomb.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">vertex1.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/DATATYPE/vertex1.iC&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../d0/d85/a01352_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d0/d85/a01352_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
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86 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
87 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
91 Functions</h2></td></tr> 
92 <tr·class="memitem:ga2f1a688a3e5e99f7ea436ee5c13204e5"·id="r_ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga2f1a688a3e5e99f7ea436ee5c13204e5">BALL::calculateDistanceCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;fragment)</td></tr> 
93 <tr·class="separator:ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>98 </table>
95 </div><!--·contents·-->99 </div><!--·contents·-->
96 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
99 </small></address>103 </small></address>
100 </body>104 </body>
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MDSimulationThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MDSimulationThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Thread·for·MDSimulation.··83 <p>Thread·for·MDSimulation.··
84 ·<a·href="../../d0/d89/a08006.html#details">More...</a></p>84 ·<a·href="../../d0/d89/a08006.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::MDSimulationThread:</div>87 Inheritance·diagram·for·BALL::VIEW::MDSimulationThread:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d0/d89/a08006.png"·usemap="#BALL::VIEW::MDSimulationThread_map"·alt=""/>90 ··<img·src="../../d0/d89/a08006.png"·usemap="#BALL::VIEW::MDSimulationThread_map"·alt=""/>
91 ··<map·id="BALL::VIEW::MDSimulationThread_map"·name="BALL::VIEW::MDSimulationThread_map">91 ··<map·id="BALL::VIEW::MDSimulationThread_map"·name="BALL::VIEW::MDSimulationThread_map">
92 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,203,136"/>92 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,203,136"/>
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168 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>169 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
170 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock"><p>Thread·for·MDSimulation.·</p>173 <div·class="textblock"><p>Thread·for·MDSimulation.·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
176 <a·id="a3d17f99e9aaab54cc313ff50b839c65f"·name="a3d17f99e9aaab54cc313ff50b839c65f"></a>176 <a·id="a3d17f99e9aaab54cc313ff50b839c65f"·name="a3d17f99e9aaab54cc313ff50b839c65f"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d17f99e9aaab54cc313ff50b839c65f">&#9670;&#160;</a></span>MDSimulationThread()</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d17f99e9aaab54cc313ff50b839c65f">&#9670;&#160;</a></span>MDSimulationThread()</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
179 <div·class="memproto">179 <div·class="memproto">
180 ······<table·class="memname">180 ······<table·class="memname">
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288 ··</td>288 ··</td>
289 ··<td·class="mlabels-right">289 ··<td·class="mlabels-right">
290 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>290 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
291 ··</tr>291 ··</tr>
292 </table>292 </table>
293 </div><div·class="memdoc">293 </div><div·class="memdoc">
  
294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00262">262</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00262">262</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
295 </div>295 </div>
296 </div>296 </div>
297 <a·id="a43d24373c034ab8f4ac4f96d9904c293"·name="a43d24373c034ab8f4ac4f96d9904c293"></a>297 <a·id="a43d24373c034ab8f4ac4f96d9904c293"·name="a43d24373c034ab8f4ac4f96d9904c293"></a>
298 <h2·class="memtitle"><span·class="permalink"><a·href="#a43d24373c034ab8f4ac4f96d9904c293">&#9670;&#160;</a></span>setSaveImages()</h2>298 <h2·class="memtitle"><span·class="permalink"><a·href="#a43d24373c034ab8f4ac4f96d9904c293">&#9670;&#160;</a></span>setSaveImages()</h2>
  
299 <div·class="memitem">299 <div·class="memitem">
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316 ··</td>316 ··</td>
317 ··<td·class="mlabels-right">317 ··<td·class="mlabels-right">
318 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>318 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
319 ··</tr>319 ··</tr>
320 </table>320 </table>
321 </div><div·class="memdoc">321 </div><div·class="memdoc">
  
322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00265">265</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00265">265</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
323 </div>323 </div>
324 </div>324 </div>
325 <h2·class="groupheader">Member·Data·Documentation</h2>325 <h2·class="groupheader">Member·Data·Documentation</h2>
326 <a·id="aec1e9baa3a21c4331d5f0fcf3f2deca1"·name="aec1e9baa3a21c4331d5f0fcf3f2deca1"></a>326 <a·id="aec1e9baa3a21c4331d5f0fcf3f2deca1"·name="aec1e9baa3a21c4331d5f0fcf3f2deca1"></a>
327 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1e9baa3a21c4331d5f0fcf3f2deca1">&#9670;&#160;</a></span>md_</h2>327 <h2·class="memtitle"><span·class="permalink"><a·href="#aec1e9baa3a21c4331d5f0fcf3f2deca1">&#9670;&#160;</a></span>md_</h2>
  
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341 ··</td>341 ··</td>
342 ··<td·class="mlabels-right">342 ··<td·class="mlabels-right">
343 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>343 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
344 ··</tr>344 ··</tr>
345 </table>345 </table>
346 </div><div·class="memdoc">346 </div><div·class="memdoc">
  
347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
348 </div>348 </div>
349 </div>349 </div>
350 <a·id="a0e53d732d33946d043eae6f68ccb7f35"·name="a0e53d732d33946d043eae6f68ccb7f35"></a>350 <a·id="a0e53d732d33946d043eae6f68ccb7f35"·name="a0e53d732d33946d043eae6f68ccb7f35"></a>
351 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e53d732d33946d043eae6f68ccb7f35">&#9670;&#160;</a></span>save_images_</h2>351 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e53d732d33946d043eae6f68ccb7f35">&#9670;&#160;</a></span>save_images_</h2>
  
352 <div·class="memitem">352 <div·class="memitem">
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365 ··</td>365 ··</td>
366 ··<td·class="mlabels-right">366 ··<td·class="mlabels-right">
367 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>367 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
368 ··</tr>368 ··</tr>
369 </table>369 </table>
370 </div><div·class="memdoc">370 </div><div·class="memdoc">
  
371 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00270">270</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>371 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00270">270</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
372 </div>372 </div>
373 </div>373 </div>
374 <a·id="a2571b4e9fc2949455bd7773997673397"·name="a2571b4e9fc2949455bd7773997673397"></a>374 <a·id="a2571b4e9fc2949455bd7773997673397"·name="a2571b4e9fc2949455bd7773997673397"></a>
375 <h2·class="memtitle"><span·class="permalink"><a·href="#a2571b4e9fc2949455bd7773997673397">&#9670;&#160;</a></span>steps_</h2>375 <h2·class="memtitle"><span·class="permalink"><a·href="#a2571b4e9fc2949455bd7773997673397">&#9670;&#160;</a></span>steps_</h2>
  
376 <div·class="memitem">376 <div·class="memitem">
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389 ··</td>389 ··</td>
390 ··<td·class="mlabels-right">390 ··<td·class="mlabels-right">
391 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>391 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
392 ··</tr>392 ··</tr>
393 </table>393 </table>
394 </div><div·class="memdoc">394 </div><div·class="memdoc">
  
395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>395 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
396 </div>396 </div>
397 </div>397 </div>
398 </div><!--·contents·-->398 </div><!--·contents·-->
399 <!--·start·footer·part·-->399 <!--·start·footer·part·-->
400 <hr·class="footer"/><address·class="footer"><small>400 <hr·class="footer"/><address·class="footer"><small>
401 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8401 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d6/d79/a07955.html">List·of·all·members</a>··</div>79 <a·href="../../d6/d79/a07955.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SnapshotManagerInterface·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SnapshotManagerInterface·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/VIEW/KERNEL/snapshotManagerInterface.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/db3/a01064_source.html">BALL/VIEW/KERNEL/snapshotManagerInterface.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:acd1554344b1891fad525b9417b59de06"·id="r_acd1554344b1891fad525b9417b59de06"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#acd1554344b1891fad525b9417b59de06">SnapshotManagerInterface</a>·()</td></tr>87 <tr·class="memitem:acd1554344b1891fad525b9417b59de06"·id="r_acd1554344b1891fad525b9417b59de06"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#acd1554344b1891fad525b9417b59de06">SnapshotManagerInterface</a>·()</td></tr>
88 <tr·class="separator:acd1554344b1891fad525b9417b59de06"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:acd1554344b1891fad525b9417b59de06"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a46d6c16f9a7b8a00454cdbf63ee12a4b"·id="r_a46d6c16f9a7b8a00454cdbf63ee12a4b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#a46d6c16f9a7b8a00454cdbf63ee12a4b">setup</a>·()</td></tr>89 <tr·class="memitem:a46d6c16f9a7b8a00454cdbf63ee12a4b"·id="r_a46d6c16f9a7b8a00454cdbf63ee12a4b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#a46d6c16f9a7b8a00454cdbf63ee12a4b">setup</a>·()</td></tr>
90 <tr·class="separator:a46d6c16f9a7b8a00454cdbf63ee12a4b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a46d6c16f9a7b8a00454cdbf63ee12a4b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 103, 15 lines modifiedOffset 103, 15 lines modified
103 <tr·class="memitem:ae542795b5251e7de8221034fbc9c7739"·id="r_ae542795b5251e7de8221034fbc9c7739"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·boost::shared_ptr&lt;·<a·class="el"·href="../../d5/d80/a05114.html">SnapShotManager</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#ae542795b5251e7de8221034fbc9c7739">managers_</a></td></tr>103 <tr·class="memitem:ae542795b5251e7de8221034fbc9c7739"·id="r_ae542795b5251e7de8221034fbc9c7739"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·boost::shared_ptr&lt;·<a·class="el"·href="../../d5/d80/a05114.html">SnapShotManager</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#ae542795b5251e7de8221034fbc9c7739">managers_</a></td></tr>
104 <tr·class="separator:ae542795b5251e7de8221034fbc9c7739"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:ae542795b5251e7de8221034fbc9c7739"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:a601024c64fdcd9efd406542fe8109598"·id="r_a601024c64fdcd9efd406542fe8109598"><td·class="memItemLeft"·align="right"·valign="top">std::deque&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#a601024c64fdcd9efd406542fe8109598">names_</a></td></tr>105 <tr·class="memitem:a601024c64fdcd9efd406542fe8109598"·id="r_a601024c64fdcd9efd406542fe8109598"><td·class="memItemLeft"·align="right"·valign="top">std::deque&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html#a601024c64fdcd9efd406542fe8109598">names_</a></td></tr>
106 <tr·class="separator:a601024c64fdcd9efd406542fe8109598"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a601024c64fdcd9efd406542fe8109598"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock">109 <div·class="textblock">
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d79/a00203_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../de/d79/a00203_source.html">snapshotManagerInterface.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">snapshotManagerInterface.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="acd1554344b1891fad525b9417b59de06"·name="acd1554344b1891fad525b9417b59de06"></a>112 <a·id="acd1554344b1891fad525b9417b59de06"·name="acd1554344b1891fad525b9417b59de06"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#acd1554344b1891fad525b9417b59de06">&#9670;&#160;</a></span>SnapshotManagerInterface()</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#acd1554344b1891fad525b9417b59de06">&#9670;&#160;</a></span>SnapshotManagerInterface()</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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225 ··</td>225 ··</td>
226 ··<td·class="mlabels-right">226 ··<td·class="mlabels-right">
227 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>227 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
228 ··</tr>228 ··</tr>
229 </table>229 </table>
230 </div><div·class="memdoc">230 </div><div·class="memdoc">
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d79/a00203_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d79/a00203_source.html">snapshotManagerInterface.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">snapshotManagerInterface.h</a>.</p>
  
232 </div>232 </div>
233 </div>233 </div>
234 <a·id="a601024c64fdcd9efd406542fe8109598"·name="a601024c64fdcd9efd406542fe8109598"></a>234 <a·id="a601024c64fdcd9efd406542fe8109598"·name="a601024c64fdcd9efd406542fe8109598"></a>
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249 ··</td>249 ··</td>
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251 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>251 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
252 ··</tr>252 ··</tr>
253 </table>253 </table>
254 </div><div·class="memdoc">254 </div><div·class="memdoc">
  
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d79/a00203_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/d79/a00203_source.html">snapshotManagerInterface.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">snapshotManagerInterface.h</a>.</p>
  
256 </div>256 </div>
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259 <h2·class="memtitle"><span·class="permalink"><a·href="#a04283ecb5672c3482f613a1be3094ad0">&#9670;&#160;</a></span>num_snapshots_</h2>259 <h2·class="memtitle"><span·class="permalink"><a·href="#a04283ecb5672c3482f613a1be3094ad0">&#9670;&#160;</a></span>num_snapshots_</h2>
  
260 <div·class="memitem">260 <div·class="memitem">
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273 ··</td>273 ··</td>
274 ··<td·class="mlabels-right">274 ··<td·class="mlabels-right">
275 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>275 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d79/a00203_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../de/d79/a00203_source.html">snapshotManagerInterface.h</a>.</p>279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">snapshotManagerInterface.h</a>.</p>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../dc/d13/a07915.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d13/a07915.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RotateMode·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RotateMode·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/de6/a00167_source.html">BALL/VIEW/KERNEL/MODES/rotateMode.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/VIEW/KERNEL/MODES/rotateMode.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::RotateMode:</div>85 Inheritance·diagram·for·BALL::VIEW::RotateMode:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/d92/a07918.png"·usemap="#BALL::VIEW::RotateMode_map"·alt=""/>88 ··<img·src="../../d0/d92/a07918.png"·usemap="#BALL::VIEW::RotateMode_map"·alt=""/>
89 ··<map·id="BALL::VIEW::RotateMode_map"·name="BALL::VIEW::RotateMode_map">89 ··<map·id="BALL::VIEW::RotateMode_map"·name="BALL::VIEW::RotateMode_map">
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189 <tr·class="memitem:a81f2a592678a23c1b1838398b6b7e9fa·inherit·pro_attribs_a07902"·id="r_a81f2a592678a23c1b1838398b6b7e9fa"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a81f2a592678a23c1b1838398b6b7e9fa">is_current_</a></td></tr>189 <tr·class="memitem:a81f2a592678a23c1b1838398b6b7e9fa·inherit·pro_attribs_a07902"·id="r_a81f2a592678a23c1b1838398b6b7e9fa"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a81f2a592678a23c1b1838398b6b7e9fa">is_current_</a></td></tr>
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191 </table>191 </table>
192 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>192 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
193 <div·class="textblock">193 <div·class="textblock">
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">rotateMode.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/def/a01016_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../de/def/a01016_source.html">rotateMode.h</a>.</p>
195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
196 <a·id="ab744c29e1504ebcd1d55ff99d0f8b3c4"·name="ab744c29e1504ebcd1d55ff99d0f8b3c4"></a>196 <a·id="ab744c29e1504ebcd1d55ff99d0f8b3c4"·name="ab744c29e1504ebcd1d55ff99d0f8b3c4"></a>
197 <h2·class="memtitle"><span·class="permalink"><a·href="#ab744c29e1504ebcd1d55ff99d0f8b3c4">&#9670;&#160;</a></span>RotateMode()</h2>197 <h2·class="memtitle"><span·class="permalink"><a·href="#ab744c29e1504ebcd1d55ff99d0f8b3c4">&#9670;&#160;</a></span>RotateMode()</h2>
  
198 <div·class="memitem">198 <div·class="memitem">
199 <div·class="memproto">199 <div·class="memproto">
200 ······<table·class="memname">200 ······<table·class="memname">
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287 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>287 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
288 ··</tr>288 ··</tr>
289 </table>289 </table>
290 </div><div·class="memdoc">290 </div><div·class="memdoc">
  
291 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>291 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>
  
292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">rotateMode.h</a>.</p>292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/def/a01016_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../de/def/a01016_source.html">rotateMode.h</a>.</p>
  
293 </div>293 </div>
294 </div>294 </div>
295 <a·id="a70935c1987b9833e4e8aba6ff3221b1e"·name="a70935c1987b9833e4e8aba6ff3221b1e"></a>295 <a·id="a70935c1987b9833e4e8aba6ff3221b1e"·name="a70935c1987b9833e4e8aba6ff3221b1e"></a>
296 <h2·class="memtitle"><span·class="permalink"><a·href="#a70935c1987b9833e4e8aba6ff3221b1e">&#9670;&#160;</a></span>mouseDoubleClickEvent()</h2>296 <h2·class="memtitle"><span·class="permalink"><a·href="#a70935c1987b9833e4e8aba6ff3221b1e">&#9670;&#160;</a></span>mouseDoubleClickEvent()</h2>
  
297 <div·class="memitem">297 <div·class="memitem">
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8 <title>BALL:·persistentObject.h·File·Reference</title>8 <title>BALL:·quadMesh.h·File·Reference</title>
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66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">persistentObject.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">quadMesh.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d35/a01400_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d0/d9b/a01379_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d0/d9b/a01379_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
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80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d79/a01766_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>
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11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">expression.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">selectable.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;BALL/CONCEPT/selectable.iC&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../d0/dad/a00806_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/dad/a00806_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>89 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html">BALL::Expression</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a03366.html">BALL::Selectable</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 99 Macros</h2></td></tr>
 100 <tr·class="memitem:acd344e9aa65175e384e210efb4325118"·id="r_acd344e9aa65175e384e210efb4325118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dad/a00806.html#acd344e9aa65175e384e210efb4325118">BALL_SELECTABLE_DEFAULT_SELECTION</a>&#160;&#160;&#160;false</td></tr>
 101 <tr·class="separator:acd344e9aa65175e384e210efb4325118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>102 </table>
 103 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 104 <a·id="acd344e9aa65175e384e210efb4325118"·name="acd344e9aa65175e384e210efb4325118"></a>
 105 <h2·class="memtitle"><span·class="permalink"><a·href="#acd344e9aa65175e384e210efb4325118">&#9670;&#160;</a></span>BALL_SELECTABLE_DEFAULT_SELECTION</h2>
  
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 107 <div·class="memproto">
 108 ······<table·class="memname">
 109 ········<tr>
 110 ··········<td·class="memname">#define·BALL_SELECTABLE_DEFAULT_SELECTION&#160;&#160;&#160;false</td>
 111 ········</tr>
 112 ······</table>
 113 </div><div·class="memdoc">
  
 114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
  
 115 </div>
 116 </div>
96 </div><!--·contents·-->117 </div><!--·contents·-->
97 <!--·start·footer·part·-->118 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>119 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8120 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
100 </small></address>121 </small></address>
101 </body>122 </body>
102 </html>123 </html>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../dc/d3a/a07991.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d3a/a07991.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UpdateRepresentationThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UpdateRepresentationThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::UpdateRepresentationThread:</div>85 Inheritance·diagram·for·BALL::VIEW::UpdateRepresentationThread:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/dae/a07994.png"·usemap="#BALL::VIEW::UpdateRepresentationThread_map"·alt=""/>88 ··<img·src="../../d0/dae/a07994.png"·usemap="#BALL::VIEW::UpdateRepresentationThread_map"·alt=""/>
89 ··<map·id="BALL::VIEW::UpdateRepresentationThread_map"·name="BALL::VIEW::UpdateRepresentationThread_map">89 ··<map·id="BALL::VIEW::UpdateRepresentationThread_map"·name="BALL::VIEW::UpdateRepresentationThread_map">
90 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,249,80"/>90 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,249,80"/>
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134 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<br·/></td></tr>134 <tr·class="memdesc:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Sends·the·string·as·outout·to·Log.info.··<br·/></td></tr>
135 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>136 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
137 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock">140 <div·class="textblock">
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00159">159</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00159">159</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="a36089fdfc0f51572144314d62a0f7311"·name="a36089fdfc0f51572144314d62a0f7311"></a>143 <a·id="a36089fdfc0f51572144314d62a0f7311"·name="a36089fdfc0f51572144314d62a0f7311"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a36089fdfc0f51572144314d62a0f7311">&#9670;&#160;</a></span>UpdateRepresentationThread()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a36089fdfc0f51572144314d62a0f7311">&#9670;&#160;</a></span>UpdateRepresentationThread()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
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177 ··</td>177 ··</td>
178 ··<td·class="mlabels-right">178 ··<td·class="mlabels-right">
179 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>179 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
180 ··</tr>180 ··</tr>
181 </table>181 </table>
182 </div><div·class="memdoc">182 </div><div·class="memdoc">
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00175">175</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
184 </div>184 </div>
185 </div>185 </div>
186 <a·id="a6198c6596ecccad88f8365431066b930"·name="a6198c6596ecccad88f8365431066b930"></a>186 <a·id="a6198c6596ecccad88f8365431066b930"·name="a6198c6596ecccad88f8365431066b930"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a6198c6596ecccad88f8365431066b930">&#9670;&#160;</a></span>run()</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a6198c6596ecccad88f8365431066b930">&#9670;&#160;</a></span>run()</h2>
  
188 <div·class="memitem">188 <div·class="memitem">
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233 ··</td>233 ··</td>
234 ··<td·class="mlabels-right">234 ··<td·class="mlabels-right">
235 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>235 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
236 ··</tr>236 ··</tr>
237 </table>237 </table>
238 </div><div·class="memdoc">238 </div><div·class="memdoc">
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 <h2·class="groupheader">Member·Data·Documentation</h2>242 <h2·class="groupheader">Member·Data·Documentation</h2>
243 <a·id="a984cf1366783a39134a1c5bcf77fead9"·name="a984cf1366783a39134a1c5bcf77fead9"></a>243 <a·id="a984cf1366783a39134a1c5bcf77fead9"·name="a984cf1366783a39134a1c5bcf77fead9"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#a984cf1366783a39134a1c5bcf77fead9">&#9670;&#160;</a></span>rep_</h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#a984cf1366783a39134a1c5bcf77fead9">&#9670;&#160;</a></span>rep_</h2>
  
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258 ··</td>258 ··</td>
259 ··<td·class="mlabels-right">259 ··<td·class="mlabels-right">
260 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>260 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
261 ··</tr>261 ··</tr>
262 </table>262 </table>
263 </div><div·class="memdoc">263 </div><div·class="memdoc">
  
264 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>264 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
265 </div>265 </div>
266 </div>266 </div>
267 </div><!--·contents·-->267 </div><!--·contents·-->
268 <!--·start·footer·part·-->268 <!--·start·footer·part·-->
269 <hr·class="footer"/><address·class="footer"><small>269 <hr·class="footer"/><address·class="footer"><small>
270 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8270 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d4/daf/a03819.html">List·of·all·members</a>··</div>77 <a·href="../../d4/daf/a03819.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ComposedEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ComposedEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/de4/a01346_source.html">BALL/ENERGY/composedEnergyProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/ENERGY/composedEnergyProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ComposedEnergyProcessor:</div>83 Inheritance·diagram·for·BALL::ComposedEnergyProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/db2/a03822.png"·usemap="#BALL::ComposedEnergyProcessor_map"·alt=""/>86 ··<img·src="../../d0/db2/a03822.png"·usemap="#BALL::ComposedEnergyProcessor_map"·alt=""/>
87 ··<map·id="BALL::ComposedEnergyProcessor_map"·name="BALL::ComposedEnergyProcessor_map">87 ··<map·id="BALL::ComposedEnergyProcessor_map"·name="BALL::ComposedEnergyProcessor_map">
88 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>88 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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173 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>173 <tr·class="separator:a423fd75c0b0943e2244fe3de3cfc8ebc·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
174 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>174 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
175 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>175 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
176 </table>176 </table>
177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
178 <div·class="textblock"><p>A·class·for·composed·energy·calculations.·Most·energies·are·compositions·of·several·energy·contributions.·To·model·this·in·a·convenient·way·this·class·is·intended·to·calculate·and·sum·a·given·list·of·energy·contributions.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·</dd></dl>178 <div·class="textblock"><p>A·class·for·composed·energy·calculations.·Most·energies·are·compositions·of·several·energy·contributions.·To·model·this·in·a·convenient·way·this·class·is·intended·to·calculate·and·sum·a·given·list·of·energy·contributions.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·</dd></dl>
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de4/a01346_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d9/de4/a01346_source.html">composedEnergyProcessor.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
181 <a·id="a7ab411c6a6720595fd396d50f9efe271"·name="a7ab411c6a6720595fd396d50f9efe271"></a>181 <a·id="a7ab411c6a6720595fd396d50f9efe271"·name="a7ab411c6a6720595fd396d50f9efe271"></a>
182 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab411c6a6720595fd396d50f9efe271">&#9670;&#160;</a></span>ComposedEnergyProcessor()·<span·class="overload">[1/3]</span></h2>182 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab411c6a6720595fd396d50f9efe271">&#9670;&#160;</a></span>ComposedEnergyProcessor()·<span·class="overload">[1/3]</span></h2>
  
183 <div·class="memitem">183 <div·class="memitem">
184 <div·class="memproto">184 <div·class="memproto">
185 ······<table·class="memname">185 ······<table·class="memname">
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429 ··</td>429 ··</td>
430 ··<td·class="mlabels-right">430 ··<td·class="mlabels-right">
431 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>431 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
432 ··</tr>432 ··</tr>
433 </table>433 </table>
434 </div><div·class="memdoc">434 </div><div·class="memdoc">
  
435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de4/a01346_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d9/de4/a01346_source.html">composedEnergyProcessor.h</a>.</p>435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">composedEnergyProcessor.h</a>.</p>
  
436 </div>436 </div>
437 </div>437 </div>
438 </div><!--·contents·-->438 </div><!--·contents·-->
439 <!--·start·footer·part·-->439 <!--·start·footer·part·-->
440 <hr·class="footer"/><address·class="footer"><small>440 <hr·class="footer"/><address·class="footer"><small>
441 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8441 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/dd8/a07591.html">List·of·all·members</a>··</div>78 <a·href="../../d8/dd8/a07591.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSettings·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::EditSettings:</div>84 Inheritance·diagram·for·BALL::VIEW::EditSettings:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/db4/a07594.png"·usemap="#BALL::VIEW::EditSettings_map"·alt=""/>87 ··<img·src="../../d0/db4/a07594.png"·usemap="#BALL::VIEW::EditSettings_map"·alt=""/>
88 ··<map·id="BALL::VIEW::EditSettings_map"·name="BALL::VIEW::EditSettings_map">88 ··<map·id="BALL::VIEW::EditSettings_map"·name="BALL::VIEW::EditSettings_map">
89 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>89 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,186,24"/>
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155 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>155 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>
156 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>156 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>
157 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>158 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
159 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>159 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
160 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>160 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
161 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>161 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
162 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>162 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>
163 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>164 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>
165 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>166 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>
167 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>167 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
168 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>168 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>
169 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>169 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p><a·class="el"·href="../../d0/db4/a07594.html">EditSettings</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>189 <div·class="textblock"><p><a·class="el"·href="../../d0/db4/a07594.html">EditSettings</a>·is·a·widget·that·will·be·inserted·into·the·tab·dialog·<a·class="el"·href="../../dc/da1/a07694.html">Preferences</a>.·It·contains·the·following·settings:</p><ul>
190 <li>maximum·distance·for·an·atom·to·be·picked</li>190 <li>maximum·distance·for·an·atom·to·be·picked</li>
191 <li>maximum·distance·for·an·bond·to·be·picked</li>191 <li>maximum·distance·for·an·bond·to·be·picked</li>
192 <li>only·atom·in·highlighted·container·to·be·picked?·</li>192 <li>only·atom·in·highlighted·container·to·be·picked?·</li>
193 </ul>193 </ul>
  
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">editSettings.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d19/a01217_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d19/a01217_source.html">editSettings.h</a>.</p>
195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
196 <a·id="afddc03e6112629554de4bbba6012a72c"·name="afddc03e6112629554de4bbba6012a72c"></a>196 <a·id="afddc03e6112629554de4bbba6012a72c"·name="afddc03e6112629554de4bbba6012a72c"></a>
197 <h2·class="memtitle"><span·class="permalink"><a·href="#afddc03e6112629554de4bbba6012a72c">&#9670;&#160;</a></span>EditSettings()</h2>197 <h2·class="memtitle"><span·class="permalink"><a·href="#afddc03e6112629554de4bbba6012a72c">&#9670;&#160;</a></span>EditSettings()</h2>
  
198 <div·class="memitem">198 <div·class="memitem">
199 <div·class="memproto">199 <div·class="memproto">
200 ······<table·class="memname">200 ······<table·class="memname">
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71 ··<div·class="headertitle"><div·class="title">xray.doc·File·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">contourSurface.h·File·Reference</div></div>
72 </div><!--header-->81 </div><!--header-->
73 <div·class="contents">82 <div·class="contents">
 83 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;vector&gt;</code><br·/>
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 89 <p><a·href="../../d0/db6/a00692_source.html">Go·to·the·source·code·of·this·file.</a></p>
 90 <table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 92 Classes</h2></td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de2/a03410.html">BALL::TContourSurface&lt;·T·&gt;</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dd6/a03414.html">BALL::TContourSurface&lt;·T·&gt;::Cube</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
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 99 Namespaces</h2></td></tr>
 100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 </table><table·class="memberdecls">
 103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 104 Typedefs</h2></td></tr>
 105 <tr·class="memitem:a082507401ad1c4b0e9fbf3602e7d7fa3"·id="r_a082507401ad1c4b0e9fbf3602e7d7fa3"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a082507401ad1c4b0e9fbf3602e7d7fa3">BALL::FacetArray</a>[256][12]</td></tr>
 106 <tr·class="separator:a082507401ad1c4b0e9fbf3602e7d7fa3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 107 <tr·class="memitem:a6cf3861131cea3f246f90f5c65cb702d"·id="r_a6cf3861131cea3f246f90f5c65cb702d"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/de2/a03410.html">TContourSurface</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6cf3861131cea3f246f90f5c65cb702d">BALL::ContourSurface</a></td></tr>
 108 <tr·class="memdesc:a6cf3861131cea3f246f90f5c65cb702d"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·type.··<br·/></td></tr>
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 111 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 112 Functions</h2></td></tr>
 113 <tr·class="memitem:ac46f16e89eb8aeaa2d16514fa2fe6aae"·id="r_ac46f16e89eb8aeaa2d16514fa2fe6aae"><td·class="memItemLeft"·align="right"·valign="top">template&lt;&gt;·</td></tr>
 114 <tr·class="memitem:ac46f16e89eb8aeaa2d16514fa2fe6aae"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#a17763ef0b5675aee6de82ba9f02d1039">HashIndex</a>&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac46f16e89eb8aeaa2d16514fa2fe6aae">BALL::Hash</a>·(const·std::pair&lt;·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·&gt;·&amp;p)</td></tr>
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 116 <tr·class="memitem:a8d7b1452f60755e5eb3d7a610071a427"·id="r_a8d7b1452f60755e5eb3d7a610071a427"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a082507401ad1c4b0e9fbf3602e7d7fa3">FacetArray</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8d7b1452f60755e5eb3d7a610071a427">BALL::getContourSurfaceFacetData</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·threshold)</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d63/a05559.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d63/a05559.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PyCompositeList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PyCompositeList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1d/a01475_source.html">BALL/PYTHON/EXTENSIONS/pyCompositeList.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d5d/a00311_source.html">BALL/PYTHON/EXTENSIONS/pyCompositeList.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PyCompositeList:</div>83 Inheritance·diagram·for·BALL::PyCompositeList:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/db7/a05562.png"·alt=""/>86 ··<img·src="../../d0/db7/a05562.png"·alt=""/>
87 ·</div></div>87 ·</div></div>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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125 <tr·class="memitem:a477d4fc1a5cd2f7f61ae94473c6b1024"·id="r_a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">~PyCompositeList</a>·()··throw·()</td></tr>125 <tr·class="memitem:a477d4fc1a5cd2f7f61ae94473c6b1024"·id="r_a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html#a477d4fc1a5cd2f7f61ae94473c6b1024">~PyCompositeList</a>·()··throw·()</td></tr>
126 <tr·class="memdesc:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>126 <tr·class="memdesc:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>
127 <tr·class="separator:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a477d4fc1a5cd2f7f61ae94473c6b1024"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p>Equivalent·for·a·STL::List·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·Pointers·in·Python·</p>130 <div·class="textblock"><p>Equivalent·for·a·STL::List·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·Pointers·in·Python·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pyCompositeList.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
132 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>132 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
133 <a·id="a0df146ea8f23189639ce4c9a438bd38d"·name="a0df146ea8f23189639ce4c9a438bd38d"></a>133 <a·id="a0df146ea8f23189639ce4c9a438bd38d"·name="a0df146ea8f23189639ce4c9a438bd38d"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a0df146ea8f23189639ce4c9a438bd38d">&#9670;&#160;</a></span>ConstIterator</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a0df146ea8f23189639ce4c9a438bd38d">&#9670;&#160;</a></span>ConstIterator</h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
138 ········<tr>138 ········<tr>
139 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/db7/a05562.html#a0df146ea8f23189639ce4c9a438bd38d">BALL::PyCompositeList::ConstIterator</a></td>139 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::const_iterator·<a·class="el"·href="../../d0/db7/a05562.html#a0df146ea8f23189639ce4c9a438bd38d">BALL::PyCompositeList::ConstIterator</a></td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>143 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pyCompositeList.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <a·id="adf89aa487cf7cf89a8f789d3b55b9b04"·name="adf89aa487cf7cf89a8f789d3b55b9b04"></a>147 <a·id="adf89aa487cf7cf89a8f789d3b55b9b04"·name="adf89aa487cf7cf89a8f789d3b55b9b04"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#adf89aa487cf7cf89a8f789d3b55b9b04">&#9670;&#160;</a></span>Iterator</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#adf89aa487cf7cf89a8f789d3b55b9b04">&#9670;&#160;</a></span>Iterator</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
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157 ········<tr>157 ········<tr>
158 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::iterator·<a·class="el"·href="../../d0/db7/a05562.html#adf89aa487cf7cf89a8f789d3b55b9b04">BALL::PyCompositeList::Iterator</a></td>158 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*&gt;::iterator·<a·class="el"·href="../../d0/db7/a05562.html#adf89aa487cf7cf89a8f789d3b55b9b04">BALL::PyCompositeList::Iterator</a></td>
159 ········</tr>159 ········</tr>
160 ······</table>160 ······</table>
161 </div><div·class="memdoc">161 </div><div·class="memdoc">
162 <p>Iterator·type.·</p>162 <p>Iterator·type.·</p>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pyCompositeList.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
164 </div>164 </div>
165 </div>165 </div>
166 <a·id="a1ab67d793951746402f1829aed171726"·name="a1ab67d793951746402f1829aed171726"></a>166 <a·id="a1ab67d793951746402f1829aed171726"·name="a1ab67d793951746402f1829aed171726"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ab67d793951746402f1829aed171726">&#9670;&#160;</a></span>PointerType</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a1ab67d793951746402f1829aed171726">&#9670;&#160;</a></span>PointerType</h2>
  
168 <div·class="memitem">168 <div·class="memitem">
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174 ········<tr>174 ········<tr>
175 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>**·<a·class="el"·href="../../d0/db7/a05562.html#a1ab67d793951746402f1829aed171726">BALL::PyCompositeList::PointerType</a></td>175 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>**·<a·class="el"·href="../../d0/db7/a05562.html#a1ab67d793951746402f1829aed171726">BALL::PyCompositeList::PointerType</a></td>
176 ········</tr>176 ········</tr>
177 ······</table>177 ······</table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
179 <p>Pointer·type·</p>179 <p>Pointer·type·</p>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pyCompositeList.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 <a·id="af0223328c965438bfe010bee2097c750"·name="af0223328c965438bfe010bee2097c750"></a>183 <a·id="af0223328c965438bfe010bee2097c750"·name="af0223328c965438bfe010bee2097c750"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#af0223328c965438bfe010bee2097c750">&#9670;&#160;</a></span>ValueType</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#af0223328c965438bfe010bee2097c750">&#9670;&#160;</a></span>ValueType</h2>
  
185 <div·class="memitem">185 <div·class="memitem">
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191 ········<tr>191 ········<tr>
192 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*·<a·class="el"·href="../../d0/db7/a05562.html#af0223328c965438bfe010bee2097c750">BALL::PyCompositeList::ValueType</a></td>192 ··········<td·class="memname">typedef·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>*·<a·class="el"·href="../../d0/db7/a05562.html#af0223328c965438bfe010bee2097c750">BALL::PyCompositeList::ValueType</a></td>
193 ········</tr>193 ········</tr>
194 ······</table>194 ······</table>
195 </div><div·class="memdoc">195 </div><div·class="memdoc">
196 <p>Composite*·type·</p>196 <p>Composite*·type·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pyCompositeList.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">pyCompositeList.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>200 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
201 <a·id="aebced633f70c8b2f9c40045ad274b951"·name="aebced633f70c8b2f9c40045ad274b951"></a>201 <a·id="aebced633f70c8b2f9c40045ad274b951"·name="aebced633f70c8b2f9c40045ad274b951"></a>
202 <h2·class="memtitle"><span·class="permalink"><a·href="#aebced633f70c8b2f9c40045ad274b951">&#9670;&#160;</a></span>PyCompositeList()·<span·class="overload">[1/6]</span></h2>202 <h2·class="memtitle"><span·class="permalink"><a·href="#aebced633f70c8b2f9c40045ad274b951">&#9670;&#160;</a></span>PyCompositeList()·<span·class="overload">[1/6]</span></h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/dbb/a07863.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dbb/a07863.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeselectControlsMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeselectControlsMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::DeselectControlsMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::DeselectControlsMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/db7/a07866.png"·usemap="#BALL::VIEW::DeselectControlsMessage_map"·alt=""/>87 ··<img·src="../../d0/db7/a07866.png"·usemap="#BALL::VIEW::DeselectControlsMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::DeselectControlsMessage_map"·name="BALL::VIEW::DeselectControlsMessage_map">88 ··<map·id="BALL::VIEW::DeselectControlsMessage_map"·name="BALL::VIEW::DeselectControlsMessage_map">
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113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
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115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·send·by·one·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·to·notify·all·other·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·instances·to·deselect·their·QListView.·</p>117 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·send·by·one·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·to·notify·all·other·<a·class="el"·href="../../db/dff/a08390.html">GenericControl</a>·instances·to·deselect·their·QListView.·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00724">724</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00724">724</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="ab9710da066657a3456d11ecd7b84c15e"·name="ab9710da066657a3456d11ecd7b84c15e"></a>120 <a·id="ab9710da066657a3456d11ecd7b84c15e"·name="ab9710da066657a3456d11ecd7b84c15e"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9710da066657a3456d11ecd7b84c15e">&#9670;&#160;</a></span>DeselectControlsMessage()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9710da066657a3456d11ecd7b84c15e">&#9670;&#160;</a></span>DeselectControlsMessage()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00728">728</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00728">728</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 </div><!--·contents·-->146 </div><!--·contents·-->
147 <!--·start·footer·part·-->147 <!--·start·footer·part·-->
148 <hr·class="footer"/><address·class="footer"><small>148 <hr·class="footer"/><address·class="footer"><small>
149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../de/d30/a07987.html">List·of·all·members</a>··</div>79 <a·href="../../de/d30/a07987.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenerateCrystalThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenerateCrystalThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::GenerateCrystalThread:</div>85 Inheritance·diagram·for·BALL::VIEW::GenerateCrystalThread:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d0/db8/a07990.png"·usemap="#BALL::VIEW::GenerateCrystalThread_map"·alt=""/>88 ··<img·src="../../d0/db8/a07990.png"·usemap="#BALL::VIEW::GenerateCrystalThread_map"·alt=""/>
89 ··<map·id="BALL::VIEW::GenerateCrystalThread_map"·name="BALL::VIEW::GenerateCrystalThread_map">89 ··<map·id="BALL::VIEW::GenerateCrystalThread_map"·name="BALL::VIEW::GenerateCrystalThread_map">
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133 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>134 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
135 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 </table>136 </table>
137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>137 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
138 <div·class="textblock">138 <div·class="textblock">
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a641b1cf11d704846a192700f94cf1591"·name="a641b1cf11d704846a192700f94cf1591"></a>141 <a·id="a641b1cf11d704846a192700f94cf1591"·name="a641b1cf11d704846a192700f94cf1591"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a641b1cf11d704846a192700f94cf1591">&#9670;&#160;</a></span>GenerateCrystalThread()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a641b1cf11d704846a192700f94cf1591">&#9670;&#160;</a></span>GenerateCrystalThread()</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
144 <div·class="memproto">144 <div·class="memproto">
145 ······<table·class="memname">145 ······<table·class="memname">
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204 ··</td>204 ··</td>
205 ··<td·class="mlabels-right">205 ··<td·class="mlabels-right">
206 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>206 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
207 ··</tr>207 ··</tr>
208 </table>208 </table>
209 </div><div·class="memdoc">209 </div><div·class="memdoc">
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
211 </div>211 </div>
212 </div>212 </div>
213 <h2·class="groupheader">Member·Data·Documentation</h2>213 <h2·class="groupheader">Member·Data·Documentation</h2>
214 <a·id="aaeae0bd31fc27d8d48c628600612adf5"·name="aaeae0bd31fc27d8d48c628600612adf5"></a>214 <a·id="aaeae0bd31fc27d8d48c628600612adf5"·name="aaeae0bd31fc27d8d48c628600612adf5"></a>
215 <h2·class="memtitle"><span·class="permalink"><a·href="#aaeae0bd31fc27d8d48c628600612adf5">&#9670;&#160;</a></span>dialog_</h2>215 <h2·class="memtitle"><span·class="permalink"><a·href="#aaeae0bd31fc27d8d48c628600612adf5">&#9670;&#160;</a></span>dialog_</h2>
  
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229 ··</td>229 ··</td>
230 ··<td·class="mlabels-right">230 ··<td·class="mlabels-right">
231 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>231 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
232 ··</tr>232 ··</tr>
233 </table>233 </table>
234 </div><div·class="memdoc">234 </div><div·class="memdoc">
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 </div><!--·contents·-->238 </div><!--·contents·-->
239 <!--·start·footer·part·-->239 <!--·start·footer·part·-->
240 <hr·class="footer"/><address·class="footer"><small>240 <hr·class="footer"/><address·class="footer"><small>
241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8241 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d65/a04631.html">List·of·all·members</a>··</div>78 <a·href="../../de/d65/a04631.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructureIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructureIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/dfb/a00512_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SecondaryStructureIteratorTraits:</div>84 Inheritance·diagram·for·BALL::SecondaryStructureIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/dbd/a04634.png"·usemap="#BALL::SecondaryStructureIteratorTraits_map"·alt=""/>87 ··<img·src="../../d0/dbd/a04634.png"·usemap="#BALL::SecondaryStructureIteratorTraits_map"·alt=""/>
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321 <h2·class="memtitle"><span·class="permalink"><a·href="#aafd54e9b34b29c7047a5f30357b73813">&#9670;&#160;</a></span>resetPredicate()</h2>321 <h2·class="memtitle"><span·class="permalink"><a·href="#aafd54e9b34b29c7047a5f30357b73813">&#9670;&#160;</a></span>resetPredicate()</h2>
  
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">hashMap.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">chargeRuleProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d7/d06/a00131_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;boost/unordered_map.hpp&gt;</code><br·/> 
86 <code>#include·&lt;boost/functional/hash.hpp&gt;</code><br·/> 
87 </div>82 </div>
88 <p><a·href="../../d0/dc2/a00104_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d0/dc2/a00104_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">84 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>86 Classes</h2></td></tr>
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03534.html">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</a></td></tr> 
102 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··<a·href="../../d6/de6/a03534.html#details">More...</a><br·/></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
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106 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
107 <tr·class="memitem:d6/d41/a02222"·id="r_d6/d41/a02222"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d41/a02222.html">boost</a></td></tr> 
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109 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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111 </table>94 </table>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
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76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">lightSettings.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">bayesModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d91/a00335_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a01394_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;BALL/VIEW/UIC/ui_lightSettings.h&gt;</code><br·/> 
86 </div>82 </div>
87 <p><a·href="../../d0/dc4/a00443_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d0/dc4/a00443_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">84 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPJoinMapComparator_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPJoinMapComparator_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p>A·comparator,·which·searches·DPConfigs·in·a·DPJoinMap.·Two·DPConfigs·are·equal,·if·they·have·the·same·bond·values,·even·if·they·have·different·consumed·valences.·</p>92 <div·class="textblock"><p>A·comparator,·which·searches·DPConfigs·in·a·DPJoinMap.·Two·DPConfigs·are·equal,·if·they·have·the·same·bond·values,·even·if·they·have·different·consumed·valences.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00817">817</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00817">817</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
94 </div><h2·class="groupheader">Member·Function·Documentation</h2>94 </div><h2·class="groupheader">Member·Function·Documentation</h2>
95 <a·id="ad420c9c0d16386025b2388e97bbcd51f"·name="ad420c9c0d16386025b2388e97bbcd51f"></a>95 <a·id="ad420c9c0d16386025b2388e97bbcd51f"·name="ad420c9c0d16386025b2388e97bbcd51f"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad420c9c0d16386025b2388e97bbcd51f">&#9670;&#160;</a></span>compare()</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad420c9c0d16386025b2388e97bbcd51f">&#9670;&#160;</a></span>compare()</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/dfa/a08383.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dfa/a08383.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TreeWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TreeWidget·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::TreeWidget:</div>84 Inheritance·diagram·for·BALL::VIEW::TreeWidget:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/dc6/a08386.png"·usemap="#BALL::VIEW::TreeWidget_map"·alt=""/>87 ··<img·src="../../d0/dc6/a08386.png"·usemap="#BALL::VIEW::TreeWidget_map"·alt=""/>
88 ··<map·id="BALL::VIEW::TreeWidget_map"·name="BALL::VIEW::TreeWidget_map">88 ··<map·id="BALL::VIEW::TreeWidget_map"·name="BALL::VIEW::TreeWidget_map">
89 <area·href="../../d9/d44/a20326.html"·alt="QTreeWidget"·shape="rect"·coords="0,0,150,24"/>89 <area·href="../../d9/d44/a20326.html"·alt="QTreeWidget"·shape="rect"·coords="0,0,150,24"/>
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97 <tr·class="separator:a60378294c70a35ccae2743b59f6ab367"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a60378294c70a35ccae2743b59f6ab367"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:a60aa97d36a4787ea59336016ac88e4c8"·id="r_a60aa97d36a4787ea59336016ac88e4c8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html#a60aa97d36a4787ea59336016ac88e4c8">selectItems</a>·(const·list&lt;·<a·class="el"·href="../../d4/d80/a20226.html">QTreeWidgetItem</a>·*·&gt;·&amp;items)</td></tr>98 <tr·class="memitem:a60aa97d36a4787ea59336016ac88e4c8"·id="r_a60aa97d36a4787ea59336016ac88e4c8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html#a60aa97d36a4787ea59336016ac88e4c8">selectItems</a>·(const·list&lt;·<a·class="el"·href="../../d4/d80/a20226.html">QTreeWidgetItem</a>·*·&gt;·&amp;items)</td></tr>
99 <tr·class="separator:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a60aa97d36a4787ea59336016ac88e4c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p>Base·class·for·all·control·widgets.·</p>102 <div·class="textblock"><p>Base·class·for·all·control·widgets.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">genericControl.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d3e/a01139_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d5/d3e/a01139_source.html">genericControl.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a60378294c70a35ccae2743b59f6ab367"·name="a60378294c70a35ccae2743b59f6ab367"></a>105 <a·id="a60378294c70a35ccae2743b59f6ab367"·name="a60378294c70a35ccae2743b59f6ab367"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a60378294c70a35ccae2743b59f6ab367">&#9670;&#160;</a></span>TreeWidget()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a60378294c70a35ccae2743b59f6ab367">&#9670;&#160;</a></span>TreeWidget()</h2>
  
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8 <title>BALL:·parameter.h·File·Reference</title>8 <title>BALL:·colorTable.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">parameter.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">colorTable.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;QtWidgets/QTableWidget&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../d0/dc8/a01124_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d0/dc8/a01124_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>89 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a03774.html">BALL::DoubleParameter</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de7/a08366.html">BALL::VIEW::ColorTable</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5f/a03778.html">BALL::QuaternionParameter</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>99 </table>
99 </div><!--·contents·-->100 </div><!--·contents·-->
100 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·simpleDownloader.h·File·Reference</title>8 <title>BALL:·poissonBoltzmann.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">simpleDownloader.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">poissonBoltzmann.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>85 <code>#include·&lt;vector&gt;</code><br·/>
84 <code>#include·&lt;QtNetwork/QNetworkReply&gt;</code><br·/> 
85 </div>86 </div>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/df8/a07571.html">List·of·all·members</a>··</div>77 <a·href="../../d0/df8/a07571.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockProgressDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockProgressDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d24/a00524_source.html">BALL/VIEW/DIALOGS/dockProgressDialog.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d00/a01286_source.html">BALL/VIEW/DIALOGS/dockProgressDialog.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::DockProgressDialog:</div>83 Inheritance·diagram·for·BALL::VIEW::DockProgressDialog:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d0/dd3/a07574.png"·usemap="#BALL::VIEW::DockProgressDialog_map"·alt=""/>86 ··<img·src="../../d0/dd3/a07574.png"·usemap="#BALL::VIEW::DockProgressDialog_map"·alt=""/>
87 ··<map·id="BALL::VIEW::DockProgressDialog_map"·name="BALL::VIEW::DockProgressDialog_map">87 ··<map·id="BALL::VIEW::DockProgressDialog_map"·name="BALL::VIEW::DockProgressDialog_map">
88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>
Offset 113, 15 lines modifiedOffset 113, 15 lines modified
113 <tr·class="separator:a663e1211faf18c3eb2faa3566b5e2802"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a663e1211faf18c3eb2faa3566b5e2802"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:ae3abfbf358809a302e0557f502284169"·id="r_ae3abfbf358809a302e0557f502284169"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html#ae3abfbf358809a302e0557f502284169">updateProgress_</a>·()</td></tr>114 <tr·class="memitem:ae3abfbf358809a302e0557f502284169"·id="r_ae3abfbf358809a302e0557f502284169"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd3/a07574.html#ae3abfbf358809a302e0557f502284169">updateProgress_</a>·()</td></tr>
115 <tr·class="separator:ae3abfbf358809a302e0557f502284169"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:ae3abfbf358809a302e0557f502284169"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p>Dialog·for·showing·the·progress·during·a·docking·calculation.·</p>118 <div·class="textblock"><p>Dialog·for·showing·the·progress·during·a·docking·calculation.·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d24/a00524_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d9/d24/a00524_source.html">dockProgressDialog.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">dockProgressDialog.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a28b1aadca585491f72be800fd7e10657"·name="a28b1aadca585491f72be800fd7e10657"></a>121 <a·id="a28b1aadca585491f72be800fd7e10657"·name="a28b1aadca585491f72be800fd7e10657"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b1aadca585491f72be800fd7e10657">&#9670;&#160;</a></span>DockProgressDialog()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b1aadca585491f72be800fd7e10657">&#9670;&#160;</a></span>DockProgressDialog()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/dcc/a07867.html">List·of·all·members</a>··</div>78 <a·href="../../d4/dcc/a07867.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::TransformationMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::TransformationMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d0/dd3/a07870.png"·usemap="#BALL::VIEW::TransformationMessage_map"·alt=""/>87 ··<img·src="../../d0/dd3/a07870.png"·usemap="#BALL::VIEW::TransformationMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::TransformationMessage_map"·name="BALL::VIEW::TransformationMessage_map">88 ··<map·id="BALL::VIEW::TransformationMessage_map"·name="BALL::VIEW::TransformationMessage_map">
89 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>89 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>
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117 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"·id="r_a87214db6ae48007398e7af3d53608a8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>117 <tr·class="memitem:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"·id="r_a87214db6ae48007398e7af3d53608a8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#a87214db6ae48007398e7af3d53608a8f">isDeletable</a>·()·const</td></tr>
118 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>119 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
120 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock">123 <div·class="textblock">
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00734">734</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00734">734</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a9c2d9e5c8de3a027d70ba42369d77180"·name="a9c2d9e5c8de3a027d70ba42369d77180"></a>126 <a·id="a9c2d9e5c8de3a027d70ba42369d77180"·name="a9c2d9e5c8de3a027d70ba42369d77180"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c2d9e5c8de3a027d70ba42369d77180">&#9670;&#160;</a></span>TransformationMessage()·<span·class="overload">[1/2]</span></h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c2d9e5c8de3a027d70ba42369d77180">&#9670;&#160;</a></span>TransformationMessage()·<span·class="overload">[1/2]</span></h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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178 ··</td>178 ··</td>
179 ··<td·class="mlabels-right">179 ··<td·class="mlabels-right">
180 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>180 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
181 ··</tr>181 ··</tr>
182 </table>182 </table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00750">750</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00750">750</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 <a·id="a641053e0585e4df691038e457f322efe"·name="a641053e0585e4df691038e457f322efe"></a>187 <a·id="a641053e0585e4df691038e457f322efe"·name="a641053e0585e4df691038e457f322efe"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#a641053e0585e4df691038e457f322efe">&#9670;&#160;</a></span>setMatrix()</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a641053e0585e4df691038e457f322efe">&#9670;&#160;</a></span>setMatrix()</h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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206 ··</td>206 ··</td>
207 ··<td·class="mlabels-right">207 ··<td·class="mlabels-right">
208 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>208 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
209 ··</tr>209 ··</tr>
210 </table>210 </table>
211 </div><div·class="memdoc">211 </div><div·class="memdoc">
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00746">746</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00746">746</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
215 </div><!--·contents·-->215 </div><!--·contents·-->
216 <!--·start·footer·part·-->216 <!--·start·footer·part·-->
217 <hr·class="footer"/><address·class="footer"><small>217 <hr·class="footer"/><address·class="footer"><small>
218 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8218 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../de/d93/a04235.html">List·of·all·members</a>··</div>78 <a·href="../../de/d93/a04235.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordJRNL·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordJRNL·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:af6ad55177da9b8a67f2f0dd1e537032d"·id="r_af6ad55177da9b8a67f2f0dd1e537032d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#af6ad55177da9b8a67f2f0dd1e537032d">record_type</a></td></tr>86 <tr·class="memitem:af6ad55177da9b8a67f2f0dd1e537032d"·id="r_af6ad55177da9b8a67f2f0dd1e537032d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#af6ad55177da9b8a67f2f0dd1e537032d">record_type</a></td></tr>
87 <tr·class="separator:af6ad55177da9b8a67f2f0dd1e537032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:af6ad55177da9b8a67f2f0dd1e537032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aa92e9a2cada9ceb5c24e72cef2c367db"·id="r_aa92e9a2cada9ceb5c24e72cef2c367db"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#aa92e9a2cada9ceb5c24e72cef2c367db">record_name</a></td></tr>88 <tr·class="memitem:aa92e9a2cada9ceb5c24e72cef2c367db"·id="r_aa92e9a2cada9ceb5c24e72cef2c367db"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#aa92e9a2cada9ceb5c24e72cef2c367db">record_name</a></td></tr>
89 <tr·class="separator:aa92e9a2cada9ceb5c24e72cef2c367db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa92e9a2cada9ceb5c24e72cef2c367db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a7236a7aee88bd4ed3939609e36210089"·id="r_a7236a7aee88bd4ed3939609e36210089"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ae45e24f16e565ebe116461e438297dea">LString</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#a7236a7aee88bd4ed3939609e36210089">text</a></td></tr>90 <tr·class="memitem:a7236a7aee88bd4ed3939609e36210089"·id="r_a7236a7aee88bd4ed3939609e36210089"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ae45e24f16e565ebe116461e438297dea">LString</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd6/a04238.html#a7236a7aee88bd4ed3939609e36210089">text</a></td></tr>
91 <tr·class="separator:a7236a7aee88bd4ed3939609e36210089"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a7236a7aee88bd4ed3939609e36210089"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="aa92e9a2cada9ceb5c24e72cef2c367db"·name="aa92e9a2cada9ceb5c24e72cef2c367db"></a>97 <a·id="aa92e9a2cada9ceb5c24e72cef2c367db"·name="aa92e9a2cada9ceb5c24e72cef2c367db"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa92e9a2cada9ceb5c24e72cef2c367db">&#9670;&#160;</a></span>record_name</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa92e9a2cada9ceb5c24e72cef2c367db">&#9670;&#160;</a></span>record_name</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
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65 </div>65 </div>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">moleculeObjectCreator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">bufferedRenderer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">steepestDescent.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">forceModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d06/a01499_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d0/deb/a01508_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d0/deb/a01508_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>86 Classes</h2></td></tr>
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93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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 69 <div·id="nav-path"·class="navpath">
 70 ··<ul>
 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">kernel.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">solvation.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;map&gt;</code><br·/>
 83 </div>
 84 <p><a·href="../../d0/df7/a20389_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/deb/a06362.html">BALL::Solvation</a></td></tr>
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74 </div><!--·contents·-->96 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/de1/a06383.html">List·of·all·members</a>··</div>78 <a·href="../../da/de1/a06383.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::EnergeticEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::EnergeticEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::EnergeticEvaluation:</div>84 Inheritance·diagram·for·BALL::EnergeticEvaluation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d03/a06386.png"·usemap="#BALL::EnergeticEvaluation_map"·alt=""/>87 ··<img·src="../../d1/d03/a06386.png"·usemap="#BALL::EnergeticEvaluation_map"·alt=""/>
88 ··<map·id="BALL::EnergeticEvaluation_map"·name="BALL::EnergeticEvaluation_map">88 ··<map·id="BALL::EnergeticEvaluation_map"·name="BALL::EnergeticEvaluation_map">
89 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>89 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>
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101 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb"·id="r_a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>102 <tr·class="memitem:a52faa1456d1006789f6b8fe2e9e80beb"·id="r_a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memItemLeft"·align="right"·valign="top">virtual·std::vector&lt;·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a52faa1456d1006789f6b8fe2e9e80beb">operator()</a>·(<a·class="el"·href="../../d6/d81/a03630.html">ConformationSet</a>·&amp;conformations)</td></tr>
103 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a52faa1456d1006789f6b8fe2e9e80beb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p>Base·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>106 <div·class="textblock"><p>Base·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">energeticEvaluation.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">energeticEvaluation.h</a>.</p>
108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
109 <a·id="a555ca0b2e407fc9306947b240159ad41"·name="a555ca0b2e407fc9306947b240159ad41"></a>109 <a·id="a555ca0b2e407fc9306947b240159ad41"·name="a555ca0b2e407fc9306947b240159ad41"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#a555ca0b2e407fc9306947b240159ad41">&#9670;&#160;</a></span>EnergeticEvaluation()</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#a555ca0b2e407fc9306947b240159ad41">&#9670;&#160;</a></span>EnergeticEvaluation()</h2>
  
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8 <title>BALL:·function.h·File·Reference</title>8 <title>BALL:·stringHashSet.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#namespaces">Namespaces</a>·&#124;
 77 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">function.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">stringHashSet.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d1/d04/a00713_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d1/d04/a00713_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
86 Classes</h2></td></tr> 
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d23/a04822.html">BALL::ConstantFunction&lt;·constant_template·&gt;</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df5/a04826.html">BALL::MutableConstant&lt;·DataType·&gt;</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da7/a04830.html">BALL::Addition&lt;·First,·Second,·DataType·&gt;</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de4/a04834.html">BALL::Subtraction&lt;·First,·Second,·DataType·&gt;</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d67/a04838.html">BALL::Product&lt;·First,·Second,·DataType·&gt;</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dcf/a04842.html">BALL::Division&lt;·First,·Second,·DataType·&gt;</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d25/a04846.html">BALL::Reciprocal&lt;·Function,·DataType·&gt;</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dab/a04850.html">BALL::SquareFunction&lt;·Function,·DataType·&gt;</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/de3/a04854.html">BALL::CubicFunction&lt;·Function,·DataType·&gt;</a></td></tr> 
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d14/a04858.html">BALL::MutablePower&lt;·Function,·DataType·&gt;</a></td></tr> 
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 </table><table·class="memberdecls"> 
108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
109 Namespaces</h2></td></tr>87 Namespaces</h2></td></tr>
110 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>88 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
111 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 92 Typedefs</h2></td></tr>
 93 <tr·class="memitem:ga18f879702c5070d54c2653d9f6e7ada5"·id="r_ga18f879702c5070d54c2653d9f6e7ada5"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d67/a02133.html#ga18f879702c5070d54c2653d9f6e7ada5">BALL::StringHashSet</a></td></tr>
 94 <tr·class="separator:ga18f879702c5070d54c2653d9f6e7ada5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>95 </table>
113 </div><!--·contents·-->96 </div><!--·contents·-->
114 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
115 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-slots">Public·Slots</a>·&#124;77 <a·href="#pub-slots">Public·Slots</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../da/dd0/a08431.html">List·of·all·members</a>··</div>79 <a·href="../../da/dd0/a08431.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DragLogView·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DragLogView·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::DragLogView:</div>85 Inheritance·diagram·for·BALL::VIEW::DragLogView:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d1/d05/a08434.png"·usemap="#BALL::VIEW::DragLogView_map"·alt=""/>88 ··<img·src="../../d1/d05/a08434.png"·usemap="#BALL::VIEW::DragLogView_map"·alt=""/>
89 ··<map·id="BALL::VIEW::DragLogView_map"·name="BALL::VIEW::DragLogView_map">89 ··<map·id="BALL::VIEW::DragLogView_map"·name="BALL::VIEW::DragLogView_map">
90 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,163,24"/>90 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,163,24"/>
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106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
107 Public·Member·Functions</h2></td></tr>107 Public·Member·Functions</h2></td></tr>
108 <tr·class="memitem:a7fe199d6f44f84586b9d8007ff5fdea5"·id="r_a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html#a7fe199d6f44f84586b9d8007ff5fdea5">DragLogView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent)</td></tr>108 <tr·class="memitem:a7fe199d6f44f84586b9d8007ff5fdea5"·id="r_a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d05/a08434.html#a7fe199d6f44f84586b9d8007ff5fdea5">DragLogView</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*parent)</td></tr>
109 <tr·class="separator:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a7fe199d6f44f84586b9d8007ff5fdea5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 </table>110 </table>
111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
112 <div·class="textblock">112 <div·class="textblock">
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">logView.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dfa/a01097_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d1/dfa/a01097_source.html">logView.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="a7fe199d6f44f84586b9d8007ff5fdea5"·name="a7fe199d6f44f84586b9d8007ff5fdea5"></a>115 <a·id="a7fe199d6f44f84586b9d8007ff5fdea5"·name="a7fe199d6f44f84586b9d8007ff5fdea5"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#a7fe199d6f44f84586b9d8007ff5fdea5">&#9670;&#160;</a></span>DragLogView()</h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#a7fe199d6f44f84586b9d8007ff5fdea5">&#9670;&#160;</a></span>DragLogView()</h2>
  
117 <div·class="memitem">117 <div·class="memitem">
118 <div·class="memproto">118 <div·class="memproto">
119 ······<table·class="memname">119 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/d14/a03479.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d14/a03479.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a0e70b5f9741c2143a5cd1d0d896bcda6"·id="r_a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#a0e70b5f9741c2143a5cd1d0d896bcda6">operator()</a>·(UndirectedGraph·&amp;graph)</td></tr>86 <tr·class="memitem:a0e70b5f9741c2143a5cd1d0d896bcda6"·id="r_a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#a0e70b5f9741c2143a5cd1d0d896bcda6">operator()</a>·(UndirectedGraph·&amp;graph)</td></tr>
87 <tr·class="separator:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a0e70b5f9741c2143a5cd1d0d896bcda6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ab268a4498a158e3e782158875fedcdf2"·id="r_ab268a4498a158e3e782158875fedcdf2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#ab268a4498a158e3e782158875fedcdf2">edgeIncreaseByEliminating</a>·(<a·class="el"·href="../../d1/d82/a03450.html#ad800323c80a32afe7467cb154f6c23ac">VertexIterator</a>·vertex,·UndirectedGraph·&amp;graph)</td></tr>88 <tr·class="memitem:ab268a4498a158e3e782158875fedcdf2"·id="r_ab268a4498a158e3e782158875fedcdf2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d07/a03482.html#ab268a4498a158e3e782158875fedcdf2">edgeIncreaseByEliminating</a>·(<a·class="el"·href="../../d1/d82/a03450.html#ad800323c80a32afe7467cb154f6c23ac">VertexIterator</a>·vertex,·UndirectedGraph·&amp;graph)</td></tr>
89 <tr·class="separator:ab268a4498a158e3e782158875fedcdf2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab268a4498a158e3e782158875fedcdf2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
93 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic</div><p>A·criterium·for·GreedyFillIn·which·search·for·a·vertex·with·minimum·number·of·additional·edges·after·eliminating·</p>93 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::FillInHeuristic</div><p>A·criterium·for·GreedyFillIn·which·search·for·a·vertex·with·minimum·number·of·additional·edges·after·eliminating·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
95 </div><h2·class="groupheader">Member·Function·Documentation</h2>95 </div><h2·class="groupheader">Member·Function·Documentation</h2>
96 <a·id="ab268a4498a158e3e782158875fedcdf2"·name="ab268a4498a158e3e782158875fedcdf2"></a>96 <a·id="ab268a4498a158e3e782158875fedcdf2"·name="ab268a4498a158e3e782158875fedcdf2"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#ab268a4498a158e3e782158875fedcdf2">&#9670;&#160;</a></span>edgeIncreaseByEliminating()</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#ab268a4498a158e3e782158875fedcdf2">&#9670;&#160;</a></span>edgeIncreaseByEliminating()</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <div·class="memtemplate">100 <div·class="memtemplate">
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8 <title>BALL:·regularData1D.h·File·Reference</title>8 <title>BALL:·typenameRuleProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">regularData1D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">typenameRuleProcessor.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 <code>#include·&lt;iostream&gt;</code><br·/> 
87 <code>#include·&lt;fstream&gt;</code><br·/> 
88 <code>#include·&lt;iterator&gt;</code><br·/> 
89 <code>#include·&lt;algorithm&gt;</code><br·/> 
90 <code>#include·&lt;cmath&gt;</code><br·/> 
91 </div>82 </div>
92 <p><a·href="../../d1/d09/a00077_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d1/d09/a00077_source.html">Go·to·the·source·code·of·this·file.</a></p>
93 <table·class="memberdecls">84 <table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
95 Classes</h2></td></tr>86 Classes</h2></td></tr>
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d6e/a03566.html">BALL::TRegularData1D&lt;·ValueType·&gt;</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a05130.html">BALL::TypenameRuleProcessor</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d6e/a03570.html">BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType</a></td></tr> 
99 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·block·data·type·for·reading·and·writing·binary·data.··<a·href="../../d3/d6e/a03570.html#details">More...</a><br·/></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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104 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table><table·class="memberdecls"> 
107 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
108 Typedefs</h2></td></tr> 
109 <tr·class="memitem:a0ca39fb3905470ab351c63a2765fffa0"·id="r_a0ca39fb3905470ab351c63a2765fffa0"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d2/d6e/a03566.html">TRegularData1D</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">BALL::RegularData1D</a></td></tr> 
110 <tr·class="separator:a0ca39fb3905470ab351c63a2765fffa0"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
111 </table><table·class="memberdecls"> 
112 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
113 Functions</h2></td></tr> 
114 <tr><td·colspan="2"><div·class="groupHeader">Stream·I/O</div></td></tr> 
115 <tr·class="memitem:a1912128ced178a81ad381586f839566a"·id="r_a1912128ced178a81ad381586f839566a"><td·class="memTemplParams"·colspan="2">template&lt;typename·ValueType·&gt;·</td></tr> 
116 <tr·class="memitem:a1912128ced178a81ad381586f839566a"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a1912128ced178a81ad381586f839566a">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../d2/d6e/a03566.html">TRegularData1D</a>&lt;·ValueType·&gt;·&amp;data)</td></tr> 
117 <tr·class="memdesc:a1912128ced178a81ad381586f839566a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Output·operator.··<br·/></td></tr> 
118 <tr·class="separator:a1912128ced178a81ad381586f839566a"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
119 <tr·class="memitem:acc2c08abe7cd4d6d756fae5f18936cbd"·id="r_acc2c08abe7cd4d6d756fae5f18936cbd"><td·class="memTemplParams"·colspan="2">template&lt;typename·ValueType·&gt;·</td></tr> 
120 <tr·class="memitem:acc2c08abe7cd4d6d756fae5f18936cbd"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#acc2c08abe7cd4d6d756fae5f18936cbd">BALL::operator&gt;&gt;</a>·(std::istream·&amp;is,·<a·class="el"·href="../../d2/d6e/a03566.html">TRegularData1D</a>&lt;·ValueType·&gt;·&amp;grid)</td></tr> 
121 <tr·class="memdesc:acc2c08abe7cd4d6d756fae5f18936cbd"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Input·operator.··<br·/></td></tr> 
122 <tr·class="separator:acc2c08abe7cd4d6d756fae5f18936cbd"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
123 </table>94 </table>
124 </div><!--·contents·-->95 </div><!--·contents·-->
125 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d32/a05051.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d32/a05051.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AssignTypeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AssignTypeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/deb/a01628_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AssignTypeProcessor:</div>83 Inheritance·diagram·for·BALL::AssignTypeProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d09/a05054.png"·usemap="#BALL::AssignTypeProcessor_map"·alt=""/>86 ··<img·src="../../d1/d09/a05054.png"·usemap="#BALL::AssignTypeProcessor_map"·alt=""/>
87 ··<map·id="BALL::AssignTypeProcessor_map"·name="BALL::AssignTypeProcessor_map">87 ··<map·id="BALL::AssignTypeProcessor_map"·name="BALL::AssignTypeProcessor_map">
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149 <tr·class="memitem:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"·id="r_a4c0bc41ae6193f1b0ef14e78ecaaab19"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/df4/a05050.html#a4c0bc41ae6193f1b0ef14e78ecaaab19">max_number_unassigned_atoms_</a></td></tr>149 <tr·class="memitem:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"·id="r_a4c0bc41ae6193f1b0ef14e78ecaaab19"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/df4/a05050.html#a4c0bc41ae6193f1b0ef14e78ecaaab19">max_number_unassigned_atoms_</a></td></tr>
150 <tr·class="separator:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:a4c0bc41ae6193f1b0ef14e78ecaaab19·inherit·pro_attribs_a05050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>Type·assignment·processor.·</p>153 <div·class="textblock"><p>Type·assignment·processor.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">assignTypes.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a9c85de87a2fccadced15c0967ffb015f"·name="a9c85de87a2fccadced15c0967ffb015f"></a>156 <a·id="a9c85de87a2fccadced15c0967ffb015f"·name="a9c85de87a2fccadced15c0967ffb015f"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c85de87a2fccadced15c0967ffb015f">&#9670;&#160;</a></span>AssignTypeProcessor()</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c85de87a2fccadced15c0967ffb015f">&#9670;&#160;</a></span>AssignTypeProcessor()</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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160 ······<table·class="memname">160 ······<table·class="memname">
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219 ··</td>219 ··</td>
220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">assignTypes.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
  
226 </div>226 </div>
227 </div>227 </div>
228 </div><!--·contents·-->228 </div><!--·contents·-->
229 <!--·start·footer·part·-->229 <!--·start·footer·part·-->
230 <hr·class="footer"/><address·class="footer"><small>230 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·stereoSettingsDialog.h·File·Reference</title>8 <title>BALL:·modelFactory.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">stereoSettingsDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modelFactory.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/CONCEPT/factory.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_stereoSettingsDialog.h&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d1/d0b/a00452_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d1/d0b/a00452_source.html">Go·to·the·source·code·of·this·file.</a></p>
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103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
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96 <tr·class="separator:a1255a1be17d8e903daa417cac7d96914"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a1255a1be17d8e903daa417cac7d96914"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p><a·class="el"·href="../../d1/d0b/a06458.html">Default</a>·values·for·<a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·options.·</p>99 <div·class="textblock"><p><a·class="el"·href="../../d1/d0b/a06458.html">Default</a>·values·for·<a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·options.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
101 </div><h2·class="groupheader">Member·Data·Documentation</h2>101 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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103 <h2·class="memtitle"><span·class="permalink"><a·href="#aecac9b241709a507dc6c88cbeca7b438">&#9670;&#160;</a></span>CHPI</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#aecac9b241709a507dc6c88cbeca7b438">&#9670;&#160;</a></span>CHPI</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
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116 ··</td>116 ··</td>
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118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="a177201cd7f6f1439b245395800497e2c"·name="a177201cd7f6f1439b245395800497e2c"></a>125 <a·id="a177201cd7f6f1439b245395800497e2c"·name="a177201cd7f6f1439b245395800497e2c"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a177201cd7f6f1439b245395800497e2c">&#9670;&#160;</a></span>CONST</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a177201cd7f6f1439b245395800497e2c">&#9670;&#160;</a></span>CONST</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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141 ··<td·class="mlabels-right">141 ··<td·class="mlabels-right">
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143 ··</tr>143 ··</tr>
144 </table>144 </table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>146 <p>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
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165 ··</td>165 ··</td>
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168 ··</tr>168 ··</tr>
169 </table>169 </table>
170 </div><div·class="memdoc">170 </div><div·class="memdoc">
  
171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
172 </div>172 </div>
173 </div>173 </div>
174 <a·id="a1255a1be17d8e903daa417cac7d96914"·name="a1255a1be17d8e903daa417cac7d96914"></a>174 <a·id="a1255a1be17d8e903daa417cac7d96914"·name="a1255a1be17d8e903daa417cac7d96914"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a1255a1be17d8e903daa417cac7d96914">&#9670;&#160;</a></span>POLAR</h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a1255a1be17d8e903daa417cac7d96914">&#9670;&#160;</a></span>POLAR</h2>
  
176 <div·class="memitem">176 <div·class="memitem">
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189 ··</td>189 ··</td>
190 ··<td·class="mlabels-right">190 ··<td·class="mlabels-right">
191 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>191 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
192 ··</tr>192 ··</tr>
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194 </div><div·class="memdoc">194 </div><div·class="memdoc">
  
195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
196 </div>196 </div>
197 </div>197 </div>
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219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
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221 </div>221 </div>
222 </div><!--·contents·-->222 </div><!--·contents·-->
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79 ··<div·class="headertitle"><div·class="title">BALL::SingleBondsPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SingleBondsPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SingleBondsPredicate:</div>84 Inheritance·diagram·for·BALL::SingleBondsPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d13/a04714.png"·usemap="#BALL::SingleBondsPredicate_map"·alt=""/>87 ··<img·src="../../d1/d13/a04714.png"·usemap="#BALL::SingleBondsPredicate_map"·alt=""/>
88 ··<map·id="BALL::SingleBondsPredicate_map"·name="BALL::SingleBondsPredicate_map">88 ··<map·id="BALL::SingleBondsPredicate_map"·name="BALL::SingleBondsPredicate_map">
89 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>89 <area·href="../../d0/d51/a04710.html"·alt="BALL::NumberOfBondsPredicate"·shape="rect"·coords="0,168,204,192"/>
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134 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>134 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
135 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>135 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
136 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·single·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>139 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·single·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
141 </div><h2·class="groupheader">Member·Function·Documentation</h2>141 </div><h2·class="groupheader">Member·Function·Documentation</h2>
142 <a·id="ab24d123720aacfd08b37947b3bc6691a"·name="ab24d123720aacfd08b37947b3bc6691a"></a>142 <a·id="ab24d123720aacfd08b37947b3bc6691a"·name="ab24d123720aacfd08b37947b3bc6691a"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#ab24d123720aacfd08b37947b3bc6691a">&#9670;&#160;</a></span>operator()()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#ab24d123720aacfd08b37947b3bc6691a">&#9670;&#160;</a></span>operator()()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 <table·class="mlabels">146 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/da8/a03523.html">List·of·all·members</a>··</div>78 <a·href="../../dd/da8/a03523.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;·Struct·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;·Struct·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:aac6235a081fceb80148af557221f0b97"·id="r_aac6235a081fceb80148af557221f0b97"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html#aac6235a081fceb80148af557221f0b97">operator()</a>·(const·<a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple</a>&lt;·T1,·T2,·T3,·T4·&gt;·&amp;s)·const</td></tr>86 <tr·class="memitem:aac6235a081fceb80148af557221f0b97"·id="r_aac6235a081fceb80148af557221f0b97"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d19/a03526.html#aac6235a081fceb80148af557221f0b97">operator()</a>·(const·<a·class="el"·href="../../d5/d60/a03562.html">BALL::Quadruple</a>&lt;·T1,·T2,·T3,·T4·&gt;·&amp;s)·const</td></tr>
87 <tr·class="separator:aac6235a081fceb80148af557221f0b97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aac6235a081fceb80148af557221f0b97"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3,·typename·T4&gt;<br·/>90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3,·typename·T4&gt;<br·/>
91 struct·boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</div>91 struct·boost::hash&lt;·BALL::Quadruple&lt;·T1,·T2,·T3,·T4·&gt;·&gt;</div>
92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
93 </div><h2·class="groupheader">Member·Function·Documentation</h2>93 </div><h2·class="groupheader">Member·Function·Documentation</h2>
94 <a·id="aac6235a081fceb80148af557221f0b97"·name="aac6235a081fceb80148af557221f0b97"></a>94 <a·id="aac6235a081fceb80148af557221f0b97"·name="aac6235a081fceb80148af557221f0b97"></a>
95 <h2·class="memtitle"><span·class="permalink"><a·href="#aac6235a081fceb80148af557221f0b97">&#9670;&#160;</a></span>operator()()</h2>95 <h2·class="memtitle"><span·class="permalink"><a·href="#aac6235a081fceb80148af557221f0b97">&#9670;&#160;</a></span>operator()()</h2>
  
96 <div·class="memitem">96 <div·class="memitem">
97 <div·class="memproto">97 <div·class="memproto">
98 <div·class="memtemplate">98 <div·class="memtemplate">
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114 ··</td>114 ··</td>
115 ··<td·class="mlabels-right">115 ··<td·class="mlabels-right">
116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
117 ··</tr>117 ··</tr>
118 </table>118 </table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 </div><!--·contents·-->123 </div><!--·contents·-->
124 <!--·start·footer·part·-->124 <!--·start·footer·part·-->
125 <hr·class="footer"/><address·class="footer"><small>125 <hr·class="footer"/><address·class="footer"><small>
126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../dd/d54/a06323.html">List·of·all·members</a>··</div>79 <a·href="../../dd/d54/a06323.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PB·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PB·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/COMPONENTS/PB.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/SCORING/COMPONENTS/PB.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::PB:</div>85 Inheritance·diagram·for·BALL::PB:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d1/d1b/a06326.png"·usemap="#BALL::PB_map"·alt=""/>88 ··<img·src="../../d1/d1b/a06326.png"·usemap="#BALL::PB_map"·alt=""/>
89 ··<map·id="BALL::PB_map"·name="BALL::PB_map">89 ··<map·id="BALL::PB_map"·name="BALL::PB_map">
90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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195 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>195 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
196 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>196 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
197 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>197 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
198 </table>198 </table>
199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>199 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
200 <div·class="textblock"><p>Poisson-Boltzmann·scoring·term·</p>200 <div·class="textblock"><p>Poisson-Boltzmann·scoring·term·</p>
  
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">PB.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>202 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
203 <a·id="abd9bd6fb418378c3ca0438c68780e499"·name="abd9bd6fb418378c3ca0438c68780e499"></a>203 <a·id="abd9bd6fb418378c3ca0438c68780e499"·name="abd9bd6fb418378c3ca0438c68780e499"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#abd9bd6fb418378c3ca0438c68780e499">&#9670;&#160;</a></span>PB()</h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#abd9bd6fb418378c3ca0438c68780e499">&#9670;&#160;</a></span>PB()</h2>
  
205 <div·class="memitem">205 <div·class="memitem">
206 <div·class="memproto">206 <div·class="memproto">
207 ······<table·class="memname">207 ······<table·class="memname">
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342 ··</td>342 ··</td>
343 ··<td·class="mlabels-right">343 ··<td·class="mlabels-right">
344 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>344 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
345 ··</tr>345 ··</tr>
346 </table>346 </table>
347 </div><div·class="memdoc">347 </div><div·class="memdoc">
  
348 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">PB.h</a>.</p>348 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
349 </div>349 </div>
350 </div>350 </div>
351 <a·id="acf59df32f94a7da8fb49c5a0ed945458"·name="acf59df32f94a7da8fb49c5a0ed945458"></a>351 <a·id="acf59df32f94a7da8fb49c5a0ed945458"·name="acf59df32f94a7da8fb49c5a0ed945458"></a>
352 <h2·class="memtitle"><span·class="permalink"><a·href="#acf59df32f94a7da8fb49c5a0ed945458">&#9670;&#160;</a></span>ligand_atoms_</h2>352 <h2·class="memtitle"><span·class="permalink"><a·href="#acf59df32f94a7da8fb49c5a0ed945458">&#9670;&#160;</a></span>ligand_atoms_</h2>
  
353 <div·class="memitem">353 <div·class="memitem">
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366 ··</td>366 ··</td>
367 ··<td·class="mlabels-right">367 ··<td·class="mlabels-right">
368 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>368 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
369 ··</tr>369 ··</tr>
370 </table>370 </table>
371 </div><div·class="memdoc">371 </div><div·class="memdoc">
  
372 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">PB.h</a>.</p>372 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
373 </div>373 </div>
374 </div>374 </div>
375 <a·id="a68f805620a570a5f8c06593b3538f5cd"·name="a68f805620a570a5f8c06593b3538f5cd"></a>375 <a·id="a68f805620a570a5f8c06593b3538f5cd"·name="a68f805620a570a5f8c06593b3538f5cd"></a>
376 <h2·class="memtitle"><span·class="permalink"><a·href="#a68f805620a570a5f8c06593b3538f5cd">&#9670;&#160;</a></span>pb_solver_</h2>376 <h2·class="memtitle"><span·class="permalink"><a·href="#a68f805620a570a5f8c06593b3538f5cd">&#9670;&#160;</a></span>pb_solver_</h2>
  
377 <div·class="memitem">377 <div·class="memitem">
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390 ··</td>390 ··</td>
391 ··<td·class="mlabels-right">391 ··<td·class="mlabels-right">
392 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>392 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
393 ··</tr>393 ··</tr>
394 </table>394 </table>
395 </div><div·class="memdoc">395 </div><div·class="memdoc">
  
396 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">PB.h</a>.</p>396 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
397 </div>397 </div>
398 </div>398 </div>
399 <a·id="ad48ada1770a5cf0162971cb9896221a8"·name="ad48ada1770a5cf0162971cb9896221a8"></a>399 <a·id="ad48ada1770a5cf0162971cb9896221a8"·name="ad48ada1770a5cf0162971cb9896221a8"></a>
400 <h2·class="memtitle"><span·class="permalink"><a·href="#ad48ada1770a5cf0162971cb9896221a8">&#9670;&#160;</a></span>receptor_atoms_</h2>400 <h2·class="memtitle"><span·class="permalink"><a·href="#ad48ada1770a5cf0162971cb9896221a8">&#9670;&#160;</a></span>receptor_atoms_</h2>
  
401 <div·class="memitem">401 <div·class="memitem">
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414 ··</td>414 ··</td>
415 ··<td·class="mlabels-right">415 ··<td·class="mlabels-right">
416 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>416 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
417 ··</tr>417 ··</tr>
418 </table>418 </table>
419 </div><div·class="memdoc">419 </div><div·class="memdoc">
  
420 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dae/a01994_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d4/dae/a01994_source.html">PB.h</a>.</p>420 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">PB.h</a>.</p>
  
421 </div>421 </div>
422 </div>422 </div>
423 </div><!--·contents·-->423 </div><!--·contents·-->
424 <!--·start·footer·part·-->424 <!--·start·footer·part·-->
425 <hr·class="footer"/><address·class="footer"><small>425 <hr·class="footer"/><address·class="footer"><small>
426 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8426 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/d46/a07375.html">List·of·all·members</a>··</div>78 <a·href="../../df/d46/a07375.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;:</div>84 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d1e/a07378.png"·usemap="#BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·alt=""/>87 ··<img·src="../../d1/d1e/a07378.png"·usemap="#BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·alt=""/>
88 ··<map·id="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map">88 ··<map·id="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadWriteLock_3C_20ReadWriteLockType_20_3E_map">
89 <area·href="../../d2/db3/a20030.html"·alt="ReadWriteLockType"·shape="rect"·coords="0,0,278,24"/>89 <area·href="../../d2/db3/a20030.html"·alt="ReadWriteLockType"·shape="rect"·coords="0,0,278,24"/>
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97 <tr·class="separator:a0a9d39a6334517ea375927a34ac4d981"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a0a9d39a6334517ea375927a34ac4d981"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
101 class·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·read-write·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadWriteLock,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>101 class·BALL::TReadWriteLock&lt;·ReadWriteLockType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·read-write·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QReadWriteLock,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>
102 <p>A·BALL-mutex·needs·to·provide·the·functions·void·lockForRead(),·void·lockForWrite(),·void·unlock(),·bool·tryLockForRead(),·and·bool·tryLockForWrite().·</p>102 <p>A·BALL-mutex·needs·to·provide·the·functions·void·lockForRead(),·void·lockForWrite(),·void·unlock(),·bool·tryLockForRead(),·and·bool·tryLockForWrite().·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a0a9d39a6334517ea375927a34ac4d981"·name="a0a9d39a6334517ea375927a34ac4d981"></a>105 <a·id="a0a9d39a6334517ea375927a34ac4d981"·name="a0a9d39a6334517ea375927a34ac4d981"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a9d39a6334517ea375927a34ac4d981">&#9670;&#160;</a></span>TReadWriteLock()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a9d39a6334517ea375927a34ac4d981">&#9670;&#160;</a></span>TReadWriteLock()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <div·class="memtemplate">109 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
129 </table>129 </table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
134 </div><!--·contents·-->134 </div><!--·contents·-->
135 <!--·start·footer·part·-->135 <!--·start·footer·part·-->
136 <hr·class="footer"/><address·class="footer"><small>136 <hr·class="footer"/><address·class="footer"><small>
137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#friends">Friends</a>·&#124;77 <a·href="#friends">Friends</a>·&#124;
78 <a·href="../../d6/d32/a05075.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d32/a05075.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ForceFieldComponent:</div>84 Inheritance·diagram·for·BALL::ForceFieldComponent:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d1f/a05078.png"·usemap="#BALL::ForceFieldComponent_map"·alt=""/>87 ··<img·src="../../d1/d1f/a05078.png"·usemap="#BALL::ForceFieldComponent_map"·alt=""/>
88 ··<map·id="BALL::ForceFieldComponent_map"·name="BALL::ForceFieldComponent_map">88 ··<map·id="BALL::ForceFieldComponent_map"·name="BALL::ForceFieldComponent_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,196,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,196,24"/>
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233 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>234 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
235 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
236 </table>236 </table>
237 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>237 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
238 <div·class="textblock"><p>Generic·force·field·component·class.·</p>238 <div·class="textblock"><p>Generic·force·field·component·class.·</p>
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
240 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>240 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
241 <a·id="a9df594b0498b8f6b4189aaf3e6c8da01"·name="a9df594b0498b8f6b4189aaf3e6c8da01"></a>241 <a·id="a9df594b0498b8f6b4189aaf3e6c8da01"·name="a9df594b0498b8f6b4189aaf3e6c8da01"></a>
242 <h2·class="memtitle"><span·class="permalink"><a·href="#a9df594b0498b8f6b4189aaf3e6c8da01">&#9670;&#160;</a></span>ForceFieldComponent()·<span·class="overload">[1/3]</span></h2>242 <h2·class="memtitle"><span·class="permalink"><a·href="#a9df594b0498b8f6b4189aaf3e6c8da01">&#9670;&#160;</a></span>ForceFieldComponent()·<span·class="overload">[1/3]</span></h2>
  
243 <div·class="memitem">243 <div·class="memitem">
244 <div·class="memproto">244 <div·class="memproto">
245 ······<table·class="memname">245 ······<table·class="memname">
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403 ··</td>403 ··</td>
404 ··<td·class="mlabels-right">404 ··<td·class="mlabels-right">
405 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>405 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
406 ··</tr>406 ··</tr>
407 </table>407 </table>
408 </div><div·class="memdoc">408 </div><div·class="memdoc">
  
409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
410 </div>410 </div>
411 </div>411 </div>
412 <a·id="ae6c6e358c07cf46fbeff007882e4ce53"·name="ae6c6e358c07cf46fbeff007882e4ce53"></a>412 <a·id="ae6c6e358c07cf46fbeff007882e4ce53"·name="ae6c6e358c07cf46fbeff007882e4ce53"></a>
413 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6c6e358c07cf46fbeff007882e4ce53">&#9670;&#160;</a></span>setEnabled()</h2>413 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6c6e358c07cf46fbeff007882e4ce53">&#9670;&#160;</a></span>setEnabled()</h2>
  
414 <div·class="memitem">414 <div·class="memitem">
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431 ··</td>431 ··</td>
432 ··<td·class="mlabels-right">432 ··<td·class="mlabels-right">
433 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>433 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
434 ··</tr>434 ··</tr>
435 </table>435 </table>
436 </div><div·class="memdoc">436 </div><div·class="memdoc">
  
437 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>437 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
438 </div>438 </div>
439 </div>439 </div>
440 <a·id="a6ad953b14cafbe4a086bb0baf8191ebf"·name="a6ad953b14cafbe4a086bb0baf8191ebf"></a>440 <a·id="a6ad953b14cafbe4a086bb0baf8191ebf"·name="a6ad953b14cafbe4a086bb0baf8191ebf"></a>
441 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ad953b14cafbe4a086bb0baf8191ebf">&#9670;&#160;</a></span>setForceField()</h2>441 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ad953b14cafbe4a086bb0baf8191ebf">&#9670;&#160;</a></span>setForceField()</h2>
  
442 <div·class="memitem">442 <div·class="memitem">
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641 ··</td>641 ··</td>
642 ··<td·class="mlabels-right">642 ··<td·class="mlabels-right">
643 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>643 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
644 ··</tr>644 ··</tr>
645 </table>645 </table>
646 </div><div·class="memdoc">646 </div><div·class="memdoc">
  
647 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>647 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
648 </div>648 </div>
649 </div>649 </div>
650 <h2·class="groupheader">Member·Data·Documentation</h2>650 <h2·class="groupheader">Member·Data·Documentation</h2>
651 <a·id="a3f948ec9c7ba02b683600db38c3f952d"·name="a3f948ec9c7ba02b683600db38c3f952d"></a>651 <a·id="a3f948ec9c7ba02b683600db38c3f952d"·name="a3f948ec9c7ba02b683600db38c3f952d"></a>
652 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f948ec9c7ba02b683600db38c3f952d">&#9670;&#160;</a></span>energy_</h2>652 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f948ec9c7ba02b683600db38c3f952d">&#9670;&#160;</a></span>energy_</h2>
  
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666 ··</td>666 ··</td>
667 ··<td·class="mlabels-right">667 ··<td·class="mlabels-right">
668 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>668 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
669 ··</tr>669 ··</tr>
670 </table>670 </table>
671 </div><div·class="memdoc">671 </div><div·class="memdoc">
  
672 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>672 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
673 </div>673 </div>
674 </div>674 </div>
675 <a·id="a01ca976e7a856d2ab99c9bb8b629d2cb"·name="a01ca976e7a856d2ab99c9bb8b629d2cb"></a>675 <a·id="a01ca976e7a856d2ab99c9bb8b629d2cb"·name="a01ca976e7a856d2ab99c9bb8b629d2cb"></a>
676 <h2·class="memtitle"><span·class="permalink"><a·href="#a01ca976e7a856d2ab99c9bb8b629d2cb">&#9670;&#160;</a></span>force_field_</h2>676 <h2·class="memtitle"><span·class="permalink"><a·href="#a01ca976e7a856d2ab99c9bb8b629d2cb">&#9670;&#160;</a></span>force_field_</h2>
  
677 <div·class="memitem">677 <div·class="memitem">
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690 ··</td>690 ··</td>
691 ··<td·class="mlabels-right">691 ··<td·class="mlabels-right">
692 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>692 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
693 ··</tr>693 ··</tr>
694 </table>694 </table>
695 </div><div·class="memdoc">695 </div><div·class="memdoc">
  
696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01607_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d6/d82/a01607_source.html">forceFieldComponent.h</a>.</p>696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dab/a00089_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/dab/a00089_source.html">forceFieldComponent.h</a>.</p>
  
697 </div>697 </div>
698 </div>698 </div>
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700 <!--·start·footer·part·-->700 <!--·start·footer·part·-->
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702 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8702 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 <a·href="#pro-slots">Protected·Slots</a>·&#124;79 <a·href="#pro-slots">Protected·Slots</a>·&#124;
80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="../../de/dae/a07695.html">List·of·all·members</a>··</div>81 <a·href="../../de/dae/a07695.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PTEDialog·Class·Reference</div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PTEDialog·Class·Reference</div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../dd/de6/a00548_source.html">BALL/VIEW/DIALOGS/PTEDialog.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../dd/d42/a01259_source.html">BALL/VIEW/DIALOGS/PTEDialog.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::PTEDialog:</div>87 Inheritance·diagram·for·BALL::VIEW::PTEDialog:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d1/d20/a07698.png"·usemap="#BALL::VIEW::PTEDialog_map"·alt=""/>90 ··<img·src="../../d1/d20/a07698.png"·usemap="#BALL::VIEW::PTEDialog_map"·alt=""/>
91 ··<map·id="BALL::VIEW::PTEDialog_map"·name="BALL::VIEW::PTEDialog_map">91 ··<map·id="BALL::VIEW::PTEDialog_map"·name="BALL::VIEW::PTEDialog_map">
92 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,145,24"/>92 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,145,24"/>
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119 <tr·class="separator:ad89480a8a2cfe6f81ff6f30a61e927c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:ad89480a8a2cfe6f81ff6f30a61e927c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 <tr·class="memitem:aae234f3fbc9a68418ca27364b9710226"·id="r_aae234f3fbc9a68418ca27364b9710226"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d20/a07698.html#aae234f3fbc9a68418ca27364b9710226">connectChilds_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*o)</td></tr>120 <tr·class="memitem:aae234f3fbc9a68418ca27364b9710226"·id="r_aae234f3fbc9a68418ca27364b9710226"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d20/a07698.html#aae234f3fbc9a68418ca27364b9710226">connectChilds_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*o)</td></tr>
121 <tr·class="separator:aae234f3fbc9a68418ca27364b9710226"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:aae234f3fbc9a68418ca27364b9710226"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p>Dialog·for·choosing·the·element·type·for·the·edit·mode·of·scene.·\ingroups·ViewDialogs·</p>124 <div·class="textblock"><p>Dialog·for·choosing·the·element·type·for·the·edit·mode·of·scene.·\ingroups·ViewDialogs·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de6/a00548_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/de6/a00548_source.html">PTEDialog.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d42/a01259_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/d42/a01259_source.html">PTEDialog.h</a>.</p>
126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
127 <a·id="aea97d67c7b11c3e0c340e92f72300770"·name="aea97d67c7b11c3e0c340e92f72300770"></a>127 <a·id="aea97d67c7b11c3e0c340e92f72300770"·name="aea97d67c7b11c3e0c340e92f72300770"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#aea97d67c7b11c3e0c340e92f72300770">&#9670;&#160;</a></span>PTEDialog()</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#aea97d67c7b11c3e0c340e92f72300770">&#9670;&#160;</a></span>PTEDialog()</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
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131 ······<table·class="memname">131 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d0f/a05543.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d0f/a05543.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BALLPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BALLPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d32/a01214_source.html">BALL/PLUGIN/BALLPlugin.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/df2/a00656_source.html">BALL/PLUGIN/BALLPlugin.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:afe85325e0556d70843ca2264f6c14507"·id="r_afe85325e0556d70843ca2264f6c14507"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#afe85325e0556d70843ca2264f6c14507">~BALLPlugin</a>·()</td></tr>86 <tr·class="memitem:afe85325e0556d70843ca2264f6c14507"·id="r_afe85325e0556d70843ca2264f6c14507"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#afe85325e0556d70843ca2264f6c14507">~BALLPlugin</a>·()</td></tr>
87 <tr·class="separator:afe85325e0556d70843ca2264f6c14507"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:afe85325e0556d70843ca2264f6c14507"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aa66c0dc6ea379f7a9b779c2a6f49d971"·id="r_aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#aa66c0dc6ea379f7a9b779c2a6f49d971">getName</a>·()·const·=0</td></tr>88 <tr·class="memitem:aa66c0dc6ea379f7a9b779c2a6f49d971"·id="r_aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memItemLeft"·align="right"·valign="top">virtual·QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#aa66c0dc6ea379f7a9b779c2a6f49d971">getName</a>·()·const·=0</td></tr>
89 <tr·class="separator:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa66c0dc6ea379f7a9b779c2a6f49d971"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="memitem:a6323ba58da8c7f011c2de2bf94e02db4"·id="r_a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a6323ba58da8c7f011c2de2bf94e02db4">activate</a>·()=0</td></tr>95 <tr·class="memitem:a6323ba58da8c7f011c2de2bf94e02db4"·id="r_a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a6323ba58da8c7f011c2de2bf94e02db4">activate</a>·()=0</td></tr>
96 <tr·class="separator:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a6323ba58da8c7f011c2de2bf94e02db4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a0ad4898078a7a2a1b369a27d708453e6"·id="r_a0ad4898078a7a2a1b369a27d708453e6"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a0ad4898078a7a2a1b369a27d708453e6">deactivate</a>·()=0</td></tr>97 <tr·class="memitem:a0ad4898078a7a2a1b369a27d708453e6"·id="r_a0ad4898078a7a2a1b369a27d708453e6"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html#a0ad4898078a7a2a1b369a27d708453e6">deactivate</a>·()=0</td></tr>
98 <tr·class="separator:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a0ad4898078a7a2a1b369a27d708453e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d32/a01214_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/d32/a01214_source.html">BALLPlugin.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">BALLPlugin.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="afe85325e0556d70843ca2264f6c14507"·name="afe85325e0556d70843ca2264f6c14507"></a>104 <a·id="afe85325e0556d70843ca2264f6c14507"·name="afe85325e0556d70843ca2264f6c14507"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#afe85325e0556d70843ca2264f6c14507">&#9670;&#160;</a></span>~BALLPlugin()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#afe85325e0556d70843ca2264f6c14507">&#9670;&#160;</a></span>~BALLPlugin()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <table·class="mlabels">108 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d32/a01214_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d5/d32/a01214_source.html">BALLPlugin.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">BALLPlugin.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Function·Documentation</h2>129 <h2·class="groupheader">Member·Function·Documentation</h2>
130 <a·id="a6323ba58da8c7f011c2de2bf94e02db4"·name="a6323ba58da8c7f011c2de2bf94e02db4"></a>130 <a·id="a6323ba58da8c7f011c2de2bf94e02db4"·name="a6323ba58da8c7f011c2de2bf94e02db4"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a6323ba58da8c7f011c2de2bf94e02db4">&#9670;&#160;</a></span>activate()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a6323ba58da8c7f011c2de2bf94e02db4">&#9670;&#160;</a></span>activate()</h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d2/d5d/a04511.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d5d/a04511.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ac035609374d3c5e4198098523c048098"·id="r_ac035609374d3c5e4198098523c048098"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#ac035609374d3c5e4198098523c048098">char_count</a></td></tr>86 <tr·class="memitem:ac035609374d3c5e4198098523c048098"·id="r_ac035609374d3c5e4198098523c048098"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html#ac035609374d3c5e4198098523c048098">char_count</a></td></tr>
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71 ··<div·class="headertitle"><div·class="title">plugin.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">geometricFitDialog.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
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 86 <p><a·href="../../d1/d34/a01211_source.html">Go·to·the·source·code·of·this·file.</a></p>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">PLPScoring.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">vanDerWaalsSlick.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>
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82 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
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215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
  
218 <p>Needed·for·MSVC.·</p>218 <p>Needed·for·MSVC.·</p>
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
220 </div>220 </div>
221 </div>221 </div>
222 <a·id="ab019ef226a2e9f87a960f46e5ac78098"·name="ab019ef226a2e9f87a960f46e5ac78098"></a>222 <a·id="ab019ef226a2e9f87a960f46e5ac78098"·name="ab019ef226a2e9f87a960f46e5ac78098"></a>
223 <h2·class="memtitle"><span·class="permalink"><a·href="#ab019ef226a2e9f87a960f46e5ac78098">&#9670;&#160;</a></span>operator=()</h2>223 <h2·class="memtitle"><span·class="permalink"><a·href="#ab019ef226a2e9f87a960f46e5ac78098">&#9670;&#160;</a></span>operator=()</h2>
  
224 <div·class="memitem">224 <div·class="memitem">
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304 ········<tr>304 ········<tr>
305 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::action</td>305 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::action</td>
306 ········</tr>306 ········</tr>
307 ······</table>307 ······</table>
308 </div><div·class="memdoc">308 </div><div·class="memdoc">
  
309 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>309 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
310 </div>310 </div>
311 </div>311 </div>
312 <a·id="aa0d161ae180199ec032a9dca6b23e688"·name="aa0d161ae180199ec032a9dca6b23e688"></a>312 <a·id="aa0d161ae180199ec032a9dca6b23e688"·name="aa0d161ae180199ec032a9dca6b23e688"></a>
313 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d161ae180199ec032a9dca6b23e688">&#9670;&#160;</a></span>button_state</h2>313 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d161ae180199ec032a9dca6b23e688">&#9670;&#160;</a></span>button_state</h2>
  
314 <div·class="memitem">314 <div·class="memitem">
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319 ······<table·class="memname">319 ······<table·class="memname">
320 ········<tr>320 ········<tr>
321 ··········<td·class="memname">Qt::KeyboardModifiers·BALL::VIEW::Hotkey::button_state</td>321 ··········<td·class="memname">Qt::KeyboardModifiers·BALL::VIEW::Hotkey::button_state</td>
322 ········</tr>322 ········</tr>
323 ······</table>323 ······</table>
324 </div><div·class="memdoc">324 </div><div·class="memdoc">
  
325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
326 </div>326 </div>
327 </div>327 </div>
328 <a·id="a92a0cbc33eb318feda605ab33ab1ec2a"·name="a92a0cbc33eb318feda605ab33ab1ec2a"></a>328 <a·id="a92a0cbc33eb318feda605ab33ab1ec2a"·name="a92a0cbc33eb318feda605ab33ab1ec2a"></a>
329 <h2·class="memtitle"><span·class="permalink"><a·href="#a92a0cbc33eb318feda605ab33ab1ec2a">&#9670;&#160;</a></span>comment</h2>329 <h2·class="memtitle"><span·class="permalink"><a·href="#a92a0cbc33eb318feda605ab33ab1ec2a">&#9670;&#160;</a></span>comment</h2>
  
330 <div·class="memitem">330 <div·class="memitem">
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335 ······<table·class="memname">335 ······<table·class="memname">
336 ········<tr>336 ········<tr>
337 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::comment</td>337 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::Hotkey::comment</td>
338 ········</tr>338 ········</tr>
339 ······</table>339 ······</table>
340 </div><div·class="memdoc">340 </div><div·class="memdoc">
  
341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
342 </div>342 </div>
343 </div>343 </div>
344 <a·id="ab13dc3e8d37e9466045f4f39b260e42b"·name="ab13dc3e8d37e9466045f4f39b260e42b"></a>344 <a·id="ab13dc3e8d37e9466045f4f39b260e42b"·name="ab13dc3e8d37e9466045f4f39b260e42b"></a>
345 <h2·class="memtitle"><span·class="permalink"><a·href="#ab13dc3e8d37e9466045f4f39b260e42b">&#9670;&#160;</a></span>key</h2>345 <h2·class="memtitle"><span·class="permalink"><a·href="#ab13dc3e8d37e9466045f4f39b260e42b">&#9670;&#160;</a></span>key</h2>
  
346 <div·class="memitem">346 <div·class="memitem">
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351 ······<table·class="memname">351 ······<table·class="memname">
352 ········<tr>352 ········<tr>
353 ··········<td·class="memname">Qt::Key·BALL::VIEW::Hotkey::key</td>353 ··········<td·class="memname">Qt::Key·BALL::VIEW::Hotkey::key</td>
354 ········</tr>354 ········</tr>
355 ······</table>355 ······</table>
356 </div><div·class="memdoc">356 </div><div·class="memdoc">
  
357 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>357 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
  
358 </div>358 </div>
359 </div>359 </div>
360 </div><!--·contents·-->360 </div><!--·contents·-->
361 <!--·start·footer·part·-->361 <!--·start·footer·part·-->
362 <hr·class="footer"/><address·class="footer"><small>362 <hr·class="footer"/><address·class="footer"><small>
363 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8363 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d4/ddb/a08183.html">List·of·all·members</a>··</div>77 <a·href="../../d4/ddb/a08183.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Point·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Point·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d14/a00608_source.html">BALL/VIEW/PRIMITIVES/point.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/VIEW/PRIMITIVES/point.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Point:</div>83 Inheritance·diagram·for·BALL::VIEW::Point:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d41/a08186.png"·usemap="#BALL::VIEW::Point_map"·alt=""/>86 ··<img·src="../../d1/d41/a08186.png"·usemap="#BALL::VIEW::Point_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Point_map"·name="BALL::VIEW::Point_map">87 ··<map·id="BALL::VIEW::Point_map"·name="BALL::VIEW::Point_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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191 <div·class="textblock"><p><a·class="el"·href="../../d1/d41/a08186.html">Point</a>·class.·An·instance·of·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·represents·an·instance·of·the·geometric·representation·"point".·A·point·has·the·following·properties.</p><ul>191 <div·class="textblock"><p><a·class="el"·href="../../d1/d41/a08186.html">Point</a>·class.·An·instance·of·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·represents·an·instance·of·the·geometric·representation·"point".·A·point·has·the·following·properties.</p><ul>
192 <li>color·-·the·color·of·the·point</li>192 <li>color·-·the·color·of·the·point</li>
193 <li>vertex·-·the·position·of·the·point·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>193 <li>vertex·-·the·position·of·the·point·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d1/d41/a08186.html">Point</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
194 <dl·class="section·user"><dt></dt><dd></dd></dl>194 <dl·class="section·user"><dt></dt><dd></dd></dl>
195 </li>195 </li>
196 </ul>196 </ul>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">point.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d10/a01412_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d10/a01412_source.html">point.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="a683b5cbabd9134be515f64056d8e69b0"·name="a683b5cbabd9134be515f64056d8e69b0"></a>199 <a·id="a683b5cbabd9134be515f64056d8e69b0"·name="a683b5cbabd9134be515f64056d8e69b0"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#a683b5cbabd9134be515f64056d8e69b0">&#9670;&#160;</a></span>Point()·<span·class="overload">[1/2]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a683b5cbabd9134be515f64056d8e69b0">&#9670;&#160;</a></span>Point()·<span·class="overload">[1/2]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../df/d48/a03071.html">List·of·all·members</a>··</div>79 <a·href="../../df/d48/a03071.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidSize·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidSize·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::InvalidSize:</div>85 Inheritance·diagram·for·BALL::Exception::InvalidSize:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d1/d44/a03074.png"·usemap="#BALL::Exception::InvalidSize_map"·alt=""/>88 ··<img·src="../../d1/d44/a03074.png"·usemap="#BALL::Exception::InvalidSize_map"·alt=""/>
89 ··<map·id="BALL::Exception::InvalidSize_map"·name="BALL::Exception::InvalidSize_map">89 ··<map·id="BALL::Exception::InvalidSize_map"·name="BALL::Exception::InvalidSize_map">
90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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146 <div·class="textblock"><p>Invalid·Size·Throw·this·exception·to·indicate·that·a·size·was·unexpected.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·</p><dl·class="params"><dt>Parameters</dt><dd>146 <div·class="textblock"><p>Invalid·Size·Throw·this·exception·to·indicate·that·a·size·was·unexpected.·The·constructor·has·an·additional·argument:·the·value·of·of·the·requested·size.·</p><dl·class="params"><dt>Parameters</dt><dd>
147 ··<table·class="params">147 ··<table·class="params">
148 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>148 ····<tr><td·class="paramname">size</td><td>the·size·causing·the·problem·</td></tr>
149 ··</table>149 ··</table>
150 ··</dd>150 ··</dd>
151 </dl>151 </dl>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00201">201</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
154 <a·id="aec0f47cd9e151d0e553a8f0eb2dceb0d"·name="aec0f47cd9e151d0e553a8f0eb2dceb0d"></a>154 <a·id="aec0f47cd9e151d0e553a8f0eb2dceb0d"·name="aec0f47cd9e151d0e553a8f0eb2dceb0d"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#aec0f47cd9e151d0e553a8f0eb2dceb0d">&#9670;&#160;</a></span>InvalidSize()</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#aec0f47cd9e151d0e553a8f0eb2dceb0d">&#9670;&#160;</a></span>InvalidSize()</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
157 <div·class="memproto">157 <div·class="memproto">
158 ······<table·class="memname">158 ······<table·class="memname">
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203 ··</td>203 ··</td>
204 ··<td·class="mlabels-right">204 ··<td·class="mlabels-right">
205 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>205 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
210 </div>210 </div>
211 </div>211 </div>
212 </div><!--·contents·-->212 </div><!--·contents·-->
213 <!--·start·footer·part·-->213 <!--·start·footer·part·-->
214 <hr·class="footer"/><address·class="footer"><small>214 <hr·class="footer"/><address·class="footer"><small>
215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">ringAnalyser.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">SASEdge.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
86 <code>#include·&lt;vector&gt;</code><br·/> 
87 <code>#include·&lt;set&gt;</code><br·/> 
88 <code>#include·&lt;deque&gt;</code><br·/> 
89 </div>85 </div>
90 <p><a·href="../../d1/d46/a01739_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d1/d46/a01739_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">87 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>89 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a07094.html">BALL::RingAnalyser</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d1a/a07130.html">BALL::SASEdge</a></td></tr>
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Methods·for·the·analysis·of·the·structure·of·ringsystems.··<a·href="../../d5/d2f/a07094.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d4a/a07098.html">BALL::RingAnalyser::Ring</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
101 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 99 Functions</h2></td></tr>
 100 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 101 <tr·class="memitem:gaa574bca27157d6f334d3e3ed6a648bd7"·id="r_gaa574bca27157d6f334d3e3ed6a648bd7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaa574bca27157d6f334d3e3ed6a648bd7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d1/d1a/a07130.html">SASEdge</a>·&amp;sasedge)</td></tr>
 102 <tr·class="separator:gaa574bca27157d6f334d3e3ed6a648bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>103 </table>
105 </div><!--·contents·-->104 </div><!--·contents·-->
106 <!--·start·footer·part·-->105 <!--·start·footer·part·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/dd3/a04527.html">List·of·all·members</a>··</div>78 <a·href="../../df/dd3/a04527.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FragmentIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FragmentIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::FragmentIteratorTraits:</div>84 Inheritance·diagram·for·BALL::FragmentIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d4a/a04530.png"·usemap="#BALL::FragmentIteratorTraits_map"·alt=""/>87 ··<img·src="../../d1/d4a/a04530.png"·usemap="#BALL::FragmentIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::FragmentIteratorTraits_map"·name="BALL::FragmentIteratorTraits_map">88 ··<map·id="BALL::FragmentIteratorTraits_map"·name="BALL::FragmentIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Traits·class·for·the·FragmentIterator.·Intended·for·internal·use·only!·</p><dl·class="section·user"><dt></dt><dd></dd></dl>196 <div·class="textblock"><p>Traits·class·for·the·FragmentIterator.·Intended·for·internal·use·only!·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="aec991e1ae958b3476696939fa30e9b9f"·name="aec991e1ae958b3476696939fa30e9b9f"></a>199 <a·id="aec991e1ae958b3476696939fa30e9b9f"·name="aec991e1ae958b3476696939fa30e9b9f"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#aec991e1ae958b3476696939fa30e9b9f">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#aec991e1ae958b3476696939fa30e9b9f">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="a27993fa96ebf8a57c29885ed6168abcd"·name="a27993fa96ebf8a57c29885ed6168abcd"></a>225 <a·id="a27993fa96ebf8a57c29885ed6168abcd"·name="a27993fa96ebf8a57c29885ed6168abcd"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#a27993fa96ebf8a57c29885ed6168abcd">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a27993fa96ebf8a57c29885ed6168abcd">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="a6da06625114028bbd577795a7c6b4cb9"·name="a6da06625114028bbd577795a7c6b4cb9"></a>253 <a·id="a6da06625114028bbd577795a7c6b4cb9"·name="a6da06625114028bbd577795a7c6b4cb9"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a6da06625114028bbd577795a7c6b4cb9">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a6da06625114028bbd577795a7c6b4cb9">&#9670;&#160;</a></span>FragmentIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
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272 ··</td>272 ··</td>
273 ··<td·class="mlabels-right">273 ··<td·class="mlabels-right">
274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
275 ··</tr>275 ··</tr>
276 </table>276 </table>
277 </div><div·class="memdoc">277 </div><div·class="memdoc">
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
281 <h2·class="groupheader">Member·Function·Documentation</h2>281 <h2·class="groupheader">Member·Function·Documentation</h2>
282 <a·id="a5b2f4f3459b913ade5c55fcb6d150346"·name="a5b2f4f3459b913ade5c55fcb6d150346"></a>282 <a·id="a5b2f4f3459b913ade5c55fcb6d150346"·name="a5b2f4f3459b913ade5c55fcb6d150346"></a>
283 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b2f4f3459b913ade5c55fcb6d150346">&#9670;&#160;</a></span>operator=()</h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b2f4f3459b913ade5c55fcb6d150346">&#9670;&#160;</a></span>operator=()</h2>
  
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301 ··</td>301 ··</td>
302 ··<td·class="mlabels-right">302 ··<td·class="mlabels-right">
303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
304 ··</tr>304 ··</tr>
305 </table>305 </table>
306 </div><div·class="memdoc">306 </div><div·class="memdoc">
  
307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
308 </div>308 </div>
309 </div>309 </div>
310 <a·id="a7123a141c09b15d455ec112f385dd900"·name="a7123a141c09b15d455ec112f385dd900"></a>310 <a·id="a7123a141c09b15d455ec112f385dd900"·name="a7123a141c09b15d455ec112f385dd900"></a>
311 <h2·class="memtitle"><span·class="permalink"><a·href="#a7123a141c09b15d455ec112f385dd900">&#9670;&#160;</a></span>resetPredicate()</h2>311 <h2·class="memtitle"><span·class="permalink"><a·href="#a7123a141c09b15d455ec112f385dd900">&#9670;&#160;</a></span>resetPredicate()</h2>
  
312 <div·class="memitem">312 <div·class="memitem">
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328 ··</td>328 ··</td>
329 ··<td·class="mlabels-right">329 ··<td·class="mlabels-right">
330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
331 ··</tr>331 ··</tr>
332 </table>332 </table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
  
334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">fragmentIterator.h</a>.</p>334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">fragmentIterator.h</a>.</p>
  
335 </div>335 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d9/d52/a05731.html">List·of·all·members</a>··</div>77 <a·href="../../d9/d52/a05731.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KNNModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KNNModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/da3/a00953_source.html">BALL/QSAR/knnModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d91/a00410_source.html">BALL/QSAR/knnModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::KNNModel:</div>83 Inheritance·diagram·for·BALL::QSAR::KNNModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d52/a05734.png"·usemap="#BALL::QSAR::KNNModel_map"·alt=""/>86 ··<img·src="../../d1/d52/a05734.png"·usemap="#BALL::QSAR::KNNModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::KNNModel_map"·name="BALL::QSAR::KNNModel_map">87 ··<map·id="BALL::QSAR::KNNModel_map"·name="BALL::QSAR::KNNModel_map">
88 <area·href="../../d3/ddd/a05594.html"·alt="BALL::QSAR::ALLModel"·shape="rect"·coords="0,168,188,192"/>88 <area·href="../../d3/ddd/a05594.html"·alt="BALL::QSAR::ALLModel"·shape="rect"·coords="0,168,188,192"/>
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260 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>260 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
261 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>261 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
262 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>262 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
263 </table>263 </table>
264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
265 <div·class="textblock"><p>class·for·automated·lazy·learning·(ALL-QSAR)·</p>265 <div·class="textblock"><p>class·for·automated·lazy·learning·(ALL-QSAR)·</p>
  
266 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da3/a00953_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/da3/a00953_source.html">knnModel.h</a>.</p>266 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d91/a00410_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d8/d91/a00410_source.html">knnModel.h</a>.</p>
267 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>267 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
268 <a·id="a7ebfc35e00ccb899a004b75833c80abe"·name="a7ebfc35e00ccb899a004b75833c80abe"></a>268 <a·id="a7ebfc35e00ccb899a004b75833c80abe"·name="a7ebfc35e00ccb899a004b75833c80abe"></a>
269 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ebfc35e00ccb899a004b75833c80abe">&#9670;&#160;</a></span>KNNModel()</h2>269 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ebfc35e00ccb899a004b75833c80abe">&#9670;&#160;</a></span>KNNModel()</h2>
  
270 <div·class="memitem">270 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/dee/a07891.html">List·of·all·members</a>··</div>78 <a·href="../../da/dee/a07891.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModelInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d8/d1e/a02210.html">Other·classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModelInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d8/d1e/a02210.html">Other·classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/ddf/a00224_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d22/a01049_source.html">BALL/VIEW/KERNEL/modelInformation.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a35d19b8afad40e6b84016f4455cfa104"·id="r_a35d19b8afad40e6b84016f4455cfa104"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a35d19b8afad40e6b84016f4455cfa104">ModelInformation</a>·()</td></tr>86 <tr·class="memitem:a35d19b8afad40e6b84016f4455cfa104"·id="r_a35d19b8afad40e6b84016f4455cfa104"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a35d19b8afad40e6b84016f4455cfa104">ModelInformation</a>·()</td></tr>
87 <tr·class="separator:a35d19b8afad40e6b84016f4455cfa104"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a35d19b8afad40e6b84016f4455cfa104"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a348629209ea49e152f7d58c29b2fd75d"·id="r_a348629209ea49e152f7d58c29b2fd75d"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a348629209ea49e152f7d58c29b2fd75d">~ModelInformation</a>·()</td></tr>88 <tr·class="memitem:a348629209ea49e152f7d58c29b2fd75d"·id="r_a348629209ea49e152f7d58c29b2fd75d"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a348629209ea49e152f7d58c29b2fd75d">~ModelInformation</a>·()</td></tr>
89 <tr·class="separator:a348629209ea49e152f7d58c29b2fd75d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a348629209ea49e152f7d58c29b2fd75d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 <tr·class="separator:a881351942efd33dabf94d97ae2310d2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a881351942efd33dabf94d97ae2310d2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:a75f7c16b51be648e006a9be8a81ef36e"·id="r_a75f7c16b51be648e006a9be8a81ef36e"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a75f7c16b51be648e006a9be8a81ef36e">modelMustBeRebuild</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#ab65bae435bb475059fa95f085e2dffa2">ModelType</a>·type)·const</td></tr>102 <tr·class="memitem:a75f7c16b51be648e006a9be8a81ef36e"·id="r_a75f7c16b51be648e006a9be8a81ef36e"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d53/a07894.html#a75f7c16b51be648e006a9be8a81ef36e">modelMustBeRebuild</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#ab65bae435bb475059fa95f085e2dffa2">ModelType</a>·type)·const</td></tr>
103 <tr·class="separator:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a75f7c16b51be648e006a9be8a81ef36e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p><a·class="el"·href="../../d1/d53/a07894.html">ModelInformation</a>·class.·This·class·is·used·to·retrieve·names,·types·and·different·properties·for·the·different·models·and·coloring·methods.·It·can·be·used·to·inform·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·libraries·classes·of·additional·model·types,·that·are·declared·outside·of·the·library·itself.·To·do·so,·call·<a·class="el"·href="../../d2/d34/a07814.html#aba8638282e79a31086dbd7de664ef9e9">MainControl::setModelInformation()</a>.·</p>106 <div·class="textblock"><p><a·class="el"·href="../../d1/d53/a07894.html">ModelInformation</a>·class.·This·class·is·used·to·retrieve·names,·types·and·different·properties·for·the·different·models·and·coloring·methods.·It·can·be·used·to·inform·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·libraries·classes·of·additional·model·types,·that·are·declared·outside·of·the·library·itself.·To·do·so,·call·<a·class="el"·href="../../d2/d34/a07814.html#aba8638282e79a31086dbd7de664ef9e9">MainControl::setModelInformation()</a>.·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/ddf/a00224_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d5/ddf/a00224_source.html">modelInformation.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d22/a01049_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d0/d22/a01049_source.html">modelInformation.h</a>.</p>
108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
109 <a·id="a35d19b8afad40e6b84016f4455cfa104"·name="a35d19b8afad40e6b84016f4455cfa104"></a>109 <a·id="a35d19b8afad40e6b84016f4455cfa104"·name="a35d19b8afad40e6b84016f4455cfa104"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#a35d19b8afad40e6b84016f4455cfa104">&#9670;&#160;</a></span>ModelInformation()</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#a35d19b8afad40e6b84016f4455cfa104">&#9670;&#160;</a></span>ModelInformation()</h2>
  
111 <div·class="memitem">111 <div·class="memitem">
112 <div·class="memproto">112 <div·class="memproto">
113 ······<table·class="memname">113 ······<table·class="memname">
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../dc/d3e/a06423.html">List·of·all·members</a>··</div>80 <a·href="../../dc/d3e/a06423.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::Rescoring1D·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::Rescoring1D·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d52/a02027_source.html">BALL/SCORING/FUNCTIONS/rescoring1D.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/SCORING/FUNCTIONS/rescoring1D.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::Rescoring1D:</div>86 Inheritance·diagram·for·BALL::Rescoring1D:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d1/d54/a06426.png"·usemap="#BALL::Rescoring1D_map"·alt=""/>89 ··<img·src="../../d1/d54/a06426.png"·usemap="#BALL::Rescoring1D_map"·alt=""/>
90 ··<map·id="BALL::Rescoring1D_map"·name="BALL::Rescoring1D_map">90 ··<map·id="BALL::Rescoring1D_map"·name="BALL::Rescoring1D_map">
91 <area·href="../../df/d53/a06418.html"·alt="BALL::Rescoring"·shape="rect"·coords="0,0,122,24"/>91 <area·href="../../df/d53/a06418.html"·alt="BALL::Rescoring"·shape="rect"·coords="0,0,122,24"/>
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157 <tr·class="memitem:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"·id="r_a834cba3f515689a5f05d5dc471d3363c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a834cba3f515689a5f05d5dc471d3363c">name_</a></td></tr>157 <tr·class="memitem:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"·id="r_a834cba3f515689a5f05d5dc471d3363c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a834cba3f515689a5f05d5dc471d3363c">name_</a></td></tr>
158 <tr·class="separator:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a834cba3f515689a5f05d5dc471d3363c·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 <tr·class="memitem:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"·id="r_a1bd0cda391beb59bff9cbf15a1fd734b"><td·class="memItemLeft"·align="right"·valign="top">std::ofstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a1bd0cda391beb59bff9cbf15a1fd734b">stddev_out_</a></td></tr>159 <tr·class="memitem:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"·id="r_a1bd0cda391beb59bff9cbf15a1fd734b"><td·class="memItemLeft"·align="right"·valign="top">std::ofstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html#a1bd0cda391beb59bff9cbf15a1fd734b">stddev_out_</a></td></tr>
160 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>160 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
161 </table>161 </table>
162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
163 <div·class="textblock">163 <div·class="textblock">
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">rescoring1D.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">rescoring1D.h</a>.</p>
165 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>165 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
166 <a·id="ac7622807884dd126305172d6c5d0bae1"·name="ac7622807884dd126305172d6c5d0bae1"></a>166 <a·id="ac7622807884dd126305172d6c5d0bae1"·name="ac7622807884dd126305172d6c5d0bae1"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7622807884dd126305172d6c5d0bae1">&#9670;&#160;</a></span>Rescoring1D()</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7622807884dd126305172d6c5d0bae1">&#9670;&#160;</a></span>Rescoring1D()</h2>
  
168 <div·class="memitem">168 <div·class="memitem">
169 <div·class="memproto">169 <div·class="memproto">
170 ······<table·class="memname">170 ······<table·class="memname">
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288 ··</td>288 ··</td>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">hotkeyTable.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyCompositeList.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/de2/a00320_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QTableWidget&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QItemDelegate&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../d1/d5d/a00311_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d1/d5d/a00311_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>88 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html">BALL::VIEW::ComboBoxDelegate</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1b/a08414.html">BALL::VIEW::HotkeyTable</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db7/a05562.html">BALL::PyCompositeList</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>96 </table>
103 </div><!--·contents·-->97 </div><!--·contents·-->
104 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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108 </body>102 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d8/d4f/a03703.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d4f/a03703.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Receptor·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Receptor·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/dc1/a01562_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Receptor:</div>85 Inheritance·diagram·for·BALL::Receptor:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d1/d5f/a03706.png"·usemap="#BALL::Receptor_map"·alt=""/>88 ··<img·src="../../d1/d5f/a03706.png"·usemap="#BALL::Receptor_map"·alt=""/>
89 ··<map·id="BALL::Receptor_map"·name="BALL::Receptor_map">89 ··<map·id="BALL::Receptor_map"·name="BALL::Receptor_map">
90 <area·href="../../d6/de6/a03666.html"·alt="BALL::FlexibleMolecule"·shape="rect"·coords="0,0,145,24"/>90 <area·href="../../d6/de6/a03666.html"·alt="BALL::FlexibleMolecule"·shape="rect"·coords="0,0,145,24"/>
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168 <tr·class="inherit_header·pro_methods_a03666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a03666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d6/de6/a03666.html">BALL::FlexibleMolecule</a></td></tr>168 <tr·class="inherit_header·pro_methods_a03666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a03666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d6/de6/a03666.html">BALL::FlexibleMolecule</a></td></tr>
169 <tr·class="memitem:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"·id="r_a3e6d9d7f1883edc57c0abfd11e416502"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#a3e6d9d7f1883edc57c0abfd11e416502">checkCompatibility</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>169 <tr·class="memitem:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"·id="r_a3e6d9d7f1883edc57c0abfd11e416502"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#a3e6d9d7f1883edc57c0abfd11e416502">checkCompatibility</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>
170 <tr·class="separator:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:a3e6d9d7f1883edc57c0abfd11e416502·inherit·pro_methods_a03666"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock"><p><a·class="el"·href="../../d1/d5f/a03706.html">Receptor</a>·class.·This·class·represents·protein·receptors.·</p>173 <div·class="textblock"><p><a·class="el"·href="../../d1/d5f/a03706.html">Receptor</a>·class.·This·class·represents·protein·receptors.·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d20/a01160_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/d20/a01160_source.html">receptor.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">receptor.h</a>.</p>
175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
176 <a·id="a471e0b71b50c8ff13d8ee5c5e7f61c8b"·name="a471e0b71b50c8ff13d8ee5c5e7f61c8b"></a>176 <a·id="a471e0b71b50c8ff13d8ee5c5e7f61c8b"·name="a471e0b71b50c8ff13d8ee5c5e7f61c8b"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a471e0b71b50c8ff13d8ee5c5e7f61c8b">&#9670;&#160;</a></span>Receptor()·<span·class="overload">[1/2]</span></h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a471e0b71b50c8ff13d8ee5c5e7f61c8b">&#9670;&#160;</a></span>Receptor()·<span·class="overload">[1/2]</span></h2>
  
178 <div·class="memitem">178 <div·class="memitem">
179 <div·class="memproto">179 <div·class="memproto">
180 ······<table·class="memname">180 ······<table·class="memname">
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384 ··</td>384 ··</td>
385 ··<td·class="mlabels-right">385 ··<td·class="mlabels-right">
386 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>386 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
387 ··</tr>387 ··</tr>
388 </table>388 </table>
389 </div><div·class="memdoc">389 </div><div·class="memdoc">
  
390 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d20/a01160_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../da/d20/a01160_source.html">receptor.h</a>.</p>390 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc1/a01562_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/dc1/a01562_source.html">receptor.h</a>.</p>
  
391 </div>391 </div>
392 </div>392 </div>
393 </div><!--·contents·-->393 </div><!--·contents·-->
394 <!--·start·footer·part·-->394 <!--·start·footer·part·-->
395 <hr·class="footer"/><address·class="footer"><small>395 <hr·class="footer"/><address·class="footer"><small>
396 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8396 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d8/df3/a06263.html">List·of·all·members</a>··</div>79 <a·href="../../d8/df3/a06263.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Electrostatic·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Electrostatic·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Electrostatic:</div>85 Inheritance·diagram·for·BALL::Electrostatic:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d1/d66/a06266.png"·usemap="#BALL::Electrostatic_map"·alt=""/>88 ··<img·src="../../d1/d66/a06266.png"·usemap="#BALL::Electrostatic_map"·alt=""/>
89 ··<map·id="BALL::Electrostatic_map"·name="BALL::Electrostatic_map">89 ··<map·id="BALL::Electrostatic_map"·name="BALL::Electrostatic_map">
90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,176,24"/>90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,176,24"/>
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193 Additional·Inherited·Members</h2></td></tr>193 Additional·Inherited·Members</h2></td></tr>
194 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>194 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
195 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>195 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
196 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>196 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
197 </table>197 </table>
198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
199 <div·class="textblock">199 <div·class="textblock">
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">electrostatic.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">electrostatic.h</a>.</p>
201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
202 <a·id="a06a784858a753888ff8ae9e16cf851ff"·name="a06a784858a753888ff8ae9e16cf851ff"></a>202 <a·id="a06a784858a753888ff8ae9e16cf851ff"·name="a06a784858a753888ff8ae9e16cf851ff"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a784858a753888ff8ae9e16cf851ff">&#9670;&#160;</a></span>Electrostatic()·<span·class="overload">[1/2]</span></h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a784858a753888ff8ae9e16cf851ff">&#9670;&#160;</a></span>Electrostatic()·<span·class="overload">[1/2]</span></h2>
  
204 <div·class="memitem">204 <div·class="memitem">
205 <div·class="memproto">205 <div·class="memproto">
206 ······<table·class="memname">206 ······<table·class="memname">
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356 ··</td>356 ··</td>
357 ··<td·class="mlabels-right">357 ··<td·class="mlabels-right">
358 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>358 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
359 ··</tr>359 ··</tr>
360 </table>360 </table>
361 </div><div·class="memdoc">361 </div><div·class="memdoc">
  
362 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">electrostatic.h</a>.</p>362 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">electrostatic.h</a>.</p>
  
363 </div>363 </div>
364 </div>364 </div>
365 </div><!--·contents·-->365 </div><!--·contents·-->
366 <!--·start·footer·part·-->366 <!--·start·footer·part·-->
367 <hr·class="footer"/><address·class="footer"><small>367 <hr·class="footer"/><address·class="footer"><small>
368 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8368 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d72/a07767.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d72/a07767.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/ddd/a00653_source.html">BALL/VIEW/INPUT/inputPlugin.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01316_source.html">BALL/VIEW/INPUT/inputPlugin.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:aa41b67c0570c94d86046f76c5c5246d8"·id="r_aa41b67c0570c94d86046f76c5c5246d8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa41b67c0570c94d86046f76c5c5246d8">~InputPlugin</a>·()</td></tr>86 <tr·class="memitem:aa41b67c0570c94d86046f76c5c5246d8"·id="r_aa41b67c0570c94d86046f76c5c5246d8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa41b67c0570c94d86046f76c5c5246d8">~InputPlugin</a>·()</td></tr>
87 <tr·class="separator:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aa41b67c0570c94d86046f76c5c5246d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a1b1b6787f52768c77f59f5945f2586b0"·id="r_a1b1b6787f52768c77f59f5945f2586b0"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#a1b1b6787f52768c77f59f5945f2586b0">setReceiver</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*receiver)=0</td></tr>88 <tr·class="memitem:a1b1b6787f52768c77f59f5945f2586b0"·id="r_a1b1b6787f52768c77f59f5945f2586b0"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#a1b1b6787f52768c77f59f5945f2586b0">setReceiver</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*receiver)=0</td></tr>
89 <tr·class="separator:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a1b1b6787f52768c77f59f5945f2586b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aa2cef780c4ffa40dea104dd94b40bd5c"·id="r_aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa2cef780c4ffa40dea104dd94b40bd5c">startDriver</a>·()=0</td></tr>90 <tr·class="memitem:aa2cef780c4ffa40dea104dd94b40bd5c"·id="r_aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a07770.html#aa2cef780c4ffa40dea104dd94b40bd5c">startDriver</a>·()=0</td></tr>
91 <tr·class="separator:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa2cef780c4ffa40dea104dd94b40bd5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/ddd/a00653_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../de/ddd/a00653_source.html">inputPlugin.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">inputPlugin.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="aa41b67c0570c94d86046f76c5c5246d8"·name="aa41b67c0570c94d86046f76c5c5246d8"></a>97 <a·id="aa41b67c0570c94d86046f76c5c5246d8"·name="aa41b67c0570c94d86046f76c5c5246d8"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41b67c0570c94d86046f76c5c5246d8">&#9670;&#160;</a></span>~InputPlugin()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41b67c0570c94d86046f76c5c5246d8">&#9670;&#160;</a></span>~InputPlugin()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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114 ··</td>114 ··</td>
115 ··<td·class="mlabels-right">115 ··<td·class="mlabels-right">
116 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>116 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
117 ··</tr>117 ··</tr>
118 </table>118 </table>
119 </div><div·class="memdoc">119 </div><div·class="memdoc">
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/ddd/a00653_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../de/ddd/a00653_source.html">inputPlugin.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d49/a01316_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d49/a01316_source.html">inputPlugin.h</a>.</p>
  
121 </div>121 </div>
122 </div>122 </div>
123 <h2·class="groupheader">Member·Function·Documentation</h2>123 <h2·class="groupheader">Member·Function·Documentation</h2>
124 <a·id="a1b1b6787f52768c77f59f5945f2586b0"·name="a1b1b6787f52768c77f59f5945f2586b0"></a>124 <a·id="a1b1b6787f52768c77f59f5945f2586b0"·name="a1b1b6787f52768c77f59f5945f2586b0"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b1b6787f52768c77f59f5945f2586b0">&#9670;&#160;</a></span>setReceiver()</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b1b6787f52768c77f59f5945f2586b0">&#9670;&#160;</a></span>setReceiver()</h2>
  
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d5/d8f/a06843.html">List·of·all·members</a>··</div>80 <a·href="../../d5/d8f/a06843.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::AssignRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::AssignRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::AssignRadiusProcessor:</div>86 Inheritance·diagram·for·BALL::AssignRadiusProcessor:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d1/d67/a06846.png"·usemap="#BALL::AssignRadiusProcessor_map"·alt=""/>89 ··<img·src="../../d1/d67/a06846.png"·usemap="#BALL::AssignRadiusProcessor_map"·alt=""/>
90 ··<map·id="BALL::AssignRadiusProcessor_map"·name="BALL::AssignRadiusProcessor_map">90 ··<map·id="BALL::AssignRadiusProcessor_map"·name="BALL::AssignRadiusProcessor_map">
91 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>91 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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155 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>156 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
157 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 </table>158 </table>
159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
160 <div·class="textblock"><p>Assigns·the·radius·to·each·atom.·This·processor·reads·a·radius·table·from·a·file·and·assigns·each·atom·a·radius·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>160 <div·class="textblock"><p>Assigns·the·radius·to·each·atom.·This·processor·reads·a·radius·table·from·a·file·and·assigns·each·atom·a·radius·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
163 <a·id="a5a573794bf045800acb449e963c8c581"·name="a5a573794bf045800acb449e963c8c581"></a>163 <a·id="a5a573794bf045800acb449e963c8c581"·name="a5a573794bf045800acb449e963c8c581"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a573794bf045800acb449e963c8c581">&#9670;&#160;</a></span>AssignRadiusProcessor()·<span·class="overload">[1/2]</span></h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a573794bf045800acb449e963c8c581">&#9670;&#160;</a></span>AssignRadiusProcessor()·<span·class="overload">[1/2]</span></h2>
  
165 <div·class="memitem">165 <div·class="memitem">
166 <div·class="memproto">166 <div·class="memproto">
167 ······<table·class="memname">167 ······<table·class="memname">
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425 ··</td>425 ··</td>
426 ··<td·class="mlabels-right">426 ··<td·class="mlabels-right">
427 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>427 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
428 ··</tr>428 ··</tr>
429 </table>429 </table>
430 </div><div·class="memdoc">430 </div><div·class="memdoc">
  
431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
432 </div>432 </div>
433 </div>433 </div>
434 <a·id="aa17429fc6bc83e2b02d2def8e659bf61"·name="aa17429fc6bc83e2b02d2def8e659bf61"></a>434 <a·id="aa17429fc6bc83e2b02d2def8e659bf61"·name="aa17429fc6bc83e2b02d2def8e659bf61"></a>
435 <h2·class="memtitle"><span·class="permalink"><a·href="#aa17429fc6bc83e2b02d2def8e659bf61">&#9670;&#160;</a></span>number_of_assignments_</h2>435 <h2·class="memtitle"><span·class="permalink"><a·href="#aa17429fc6bc83e2b02d2def8e659bf61">&#9670;&#160;</a></span>number_of_assignments_</h2>
  
436 <div·class="memitem">436 <div·class="memitem">
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449 ··</td>449 ··</td>
450 ··<td·class="mlabels-right">450 ··<td·class="mlabels-right">
451 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>451 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
452 ··</tr>452 ··</tr>
453 </table>453 </table>
454 </div><div·class="memdoc">454 </div><div·class="memdoc">
  
455 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>455 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
456 </div>456 </div>
457 </div>457 </div>
458 <a·id="a7e7c35f9c3874aefa648647c99bbbd9e"·name="a7e7c35f9c3874aefa648647c99bbbd9e"></a>458 <a·id="a7e7c35f9c3874aefa648647c99bbbd9e"·name="a7e7c35f9c3874aefa648647c99bbbd9e"></a>
459 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e7c35f9c3874aefa648647c99bbbd9e">&#9670;&#160;</a></span>number_of_errors_</h2>459 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e7c35f9c3874aefa648647c99bbbd9e">&#9670;&#160;</a></span>number_of_errors_</h2>
  
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473 ··</td>473 ··</td>
474 ··<td·class="mlabels-right">474 ··<td·class="mlabels-right">
475 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>475 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
476 ··</tr>476 ··</tr>
477 </table>477 </table>
478 </div><div·class="memdoc">478 </div><div·class="memdoc">
  
479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
480 </div>480 </div>
481 </div>481 </div>
482 <a·id="a72a7e81489afacf5f6cf4e30995b74c3"·name="a72a7e81489afacf5f6cf4e30995b74c3"></a>482 <a·id="a72a7e81489afacf5f6cf4e30995b74c3"·name="a72a7e81489afacf5f6cf4e30995b74c3"></a>
483 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a7e81489afacf5f6cf4e30995b74c3">&#9670;&#160;</a></span>table_</h2>483 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a7e81489afacf5f6cf4e30995b74c3">&#9670;&#160;</a></span>table_</h2>
  
484 <div·class="memitem">484 <div·class="memitem">
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497 ··</td>497 ··</td>
498 ··<td·class="mlabels-right">498 ··<td·class="mlabels-right">
499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
500 ··</tr>500 ··</tr>
501 </table>501 </table>
502 </div><div·class="memdoc">502 </div><div·class="memdoc">
  
503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
504 </div>504 </div>
505 </div>505 </div>
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507 <!--·start·footer·part·-->507 <!--·start·footer·part·-->
508 <hr·class="footer"/><address·class="footer"><small>508 <hr·class="footer"/><address·class="footer"><small>
509 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8509 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/d89/a03831.html">List·of·all·members</a>··</div>77 <a·href="../../dd/d89/a03831.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AntechamberFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AntechamberFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d00/a01286_source.html">BALL/FORMAT/antechamberFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/dcd/a00965_source.html">BALL/FORMAT/antechamberFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AntechamberFile:</div>83 Inheritance·diagram·for·BALL::AntechamberFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d69/a03834.png"·usemap="#BALL::AntechamberFile_map"·alt=""/>86 ··<img·src="../../d1/d69/a03834.png"·usemap="#BALL::AntechamberFile_map"·alt=""/>
87 ··<map·id="BALL::AntechamberFile_map"·name="BALL::AntechamberFile_map">87 ··<map·id="BALL::AntechamberFile_map"·name="BALL::AntechamberFile_map">
88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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394 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>394 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
395 </table>395 </table>
396 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>396 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
397 <div·class="textblock"><p>Antechamber·file·format·(ac-file)·class.</p>397 <div·class="textblock"><p>Antechamber·file·format·(ac-file)·class.</p>
398 <p>This·class·is·used·to·read·and·write·antechamber·input/output·files.·<br··/>398 <p>This·class·is·used·to·read·and·write·antechamber·input/output·files.·<br··/>
399 ·</p><dl·class="section·user"><dt></dt><dd></dd></dl>399 ·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d00/a01286_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d00/a01286_source.html">antechamberFile.h</a>.</p>400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">antechamberFile.h</a>.</p>
401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
402 <a·id="a9ff6a3bd572242226555cb30682d7009"·name="a9ff6a3bd572242226555cb30682d7009"></a>402 <a·id="a9ff6a3bd572242226555cb30682d7009"·name="a9ff6a3bd572242226555cb30682d7009"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ff6a3bd572242226555cb30682d7009">&#9670;&#160;</a></span>AntechamberFile()·<span·class="overload">[1/2]</span></h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ff6a3bd572242226555cb30682d7009">&#9670;&#160;</a></span>AntechamberFile()·<span·class="overload">[1/2]</span></h2>
  
404 <div·class="memitem">404 <div·class="memitem">
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8 <title>BALL:·AStarBondOrderStrategy.h·File·Reference</title>8 <title>BALL:·residueChecker.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">AStarBondOrderStrategy.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">residueChecker.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d0/d79/a01766_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>
85 <code>#include·&lt;queue&gt;</code><br·/> 
86 </div>85 </div>
87 <p><a·href="../../d1/d6b/a01775_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d1/d6b/a01775_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">87 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>89 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a06706.html">BALL::AStarBondOrderStrategy</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d31/a07074.html">BALL::ResidueChecker</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html">BALL::AStarBondOrderStrategy::Option</a></td></tr> 
94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.··<a·href="../../d5/dee/a06710.html#details">More...</a><br·/></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html">BALL::AStarBondOrderStrategy::Default</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html">BALL::AStarBondOrderStrategy::Heuristic</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
102 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>97 </table>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/d8a/a04475.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d8a/a04475.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AtomContainerIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AtomContainerIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8a/a00599_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AtomContainerIteratorTraits:</div>84 Inheritance·diagram·for·BALL::AtomContainerIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d6c/a04478.png"·usemap="#BALL::AtomContainerIteratorTraits_map"·alt=""/>87 ··<img·src="../../d1/d6c/a04478.png"·usemap="#BALL::AtomContainerIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::AtomContainerIteratorTraits_map"·name="BALL::AtomContainerIteratorTraits_map">88 ··<map·id="BALL::AtomContainerIteratorTraits_map"·name="BALL::AtomContainerIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,203,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,203,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Traits·class·for·the·AtomContainerIterators.·</p>196 <div·class="textblock"><p>Traits·class·for·the·AtomContainerIterators.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="ab9ce947fe84857f9b9575a0720c70a97"·name="ab9ce947fe84857f9b9575a0720c70a97"></a>199 <a·id="ab9ce947fe84857f9b9575a0720c70a97"·name="ab9ce947fe84857f9b9575a0720c70a97"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9ce947fe84857f9b9575a0720c70a97">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9ce947fe84857f9b9575a0720c70a97">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="ab3883cad3440ceae3823a1c20776f51a"·name="ab3883cad3440ceae3823a1c20776f51a"></a>225 <a·id="ab3883cad3440ceae3823a1c20776f51a"·name="ab3883cad3440ceae3823a1c20776f51a"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3883cad3440ceae3823a1c20776f51a">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3883cad3440ceae3823a1c20776f51a">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="ae66a54307a205f37e6b397ca9d51764c"·name="ae66a54307a205f37e6b397ca9d51764c"></a>253 <a·id="ae66a54307a205f37e6b397ca9d51764c"·name="ae66a54307a205f37e6b397ca9d51764c"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#ae66a54307a205f37e6b397ca9d51764c">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#ae66a54307a205f37e6b397ca9d51764c">&#9670;&#160;</a></span>AtomContainerIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
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272 ··</td>272 ··</td>
273 ··<td·class="mlabels-right">273 ··<td·class="mlabels-right">
274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
275 ··</tr>275 ··</tr>
276 </table>276 </table>
277 </div><div·class="memdoc">277 </div><div·class="memdoc">
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
281 <h2·class="groupheader">Member·Function·Documentation</h2>281 <h2·class="groupheader">Member·Function·Documentation</h2>
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283 <h2·class="memtitle"><span·class="permalink"><a·href="#ae930d7a254082f4acf0f375631266b4e">&#9670;&#160;</a></span>operator=()</h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#ae930d7a254082f4acf0f375631266b4e">&#9670;&#160;</a></span>operator=()</h2>
  
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301 ··</td>301 ··</td>
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306 </div><div·class="memdoc">306 </div><div·class="memdoc">
  
307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
308 </div>308 </div>
309 </div>309 </div>
310 <a·id="a46c7a62be39c1f48234cd2051ccafffe"·name="a46c7a62be39c1f48234cd2051ccafffe"></a>310 <a·id="a46c7a62be39c1f48234cd2051ccafffe"·name="a46c7a62be39c1f48234cd2051ccafffe"></a>
311 <h2·class="memtitle"><span·class="permalink"><a·href="#a46c7a62be39c1f48234cd2051ccafffe">&#9670;&#160;</a></span>resetPredicate()</h2>311 <h2·class="memtitle"><span·class="permalink"><a·href="#a46c7a62be39c1f48234cd2051ccafffe">&#9670;&#160;</a></span>resetPredicate()</h2>
  
312 <div·class="memitem">312 <div·class="memitem">
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329 ··<td·class="mlabels-right">329 ··<td·class="mlabels-right">
330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
331 ··</tr>331 ··</tr>
332 </table>332 </table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
  
334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d6e/a00833_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../dc/d6e/a00833_source.html">atomContainerIterator.h</a>.</p>334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">atomContainerIterator.h</a>.</p>
  
335 </div>335 </div>
336 </div>336 </div>
337 </div><!--·contents·-->337 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/dc3/a08099.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dc3/a08099.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomDistanceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomDistanceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::AtomDistanceColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::AtomDistanceColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d6d/a08102.png"·usemap="#BALL::VIEW::AtomDistanceColorProcessor_map"·alt=""/>87 ··<img·src="../../d1/d6d/a08102.png"·usemap="#BALL::VIEW::AtomDistanceColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::AtomDistanceColorProcessor_map"·name="BALL::VIEW::AtomDistanceColorProcessor_map">88 ··<map·id="BALL::VIEW::AtomDistanceColorProcessor_map"·name="BALL::VIEW::AtomDistanceColorProcessor_map">
89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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235 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>235 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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237 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>237 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
238 </table>238 </table>
239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>239 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
240 <div·class="textblock"><p><a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·class.·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·can·be·choosen·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·the·atoms·in·multiple·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·according·to·their·distance.·There·are·two·colors·for·the·distance·of·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·objects.·A·color·for·the·null·distance·and·a·color·for·the·max·distance.·If·a·distance·of·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·to·another·atom·object·(stored·in·different·atom·containers)·lies·between·the·null·and·the·max·distance,·the·resulting·color·will·be·interpolated·according·to·the·distance.·</p>240 <div·class="textblock"><p><a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·class.·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·can·be·choosen·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·the·atoms·in·multiple·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·according·to·their·distance.·There·are·two·colors·for·the·distance·of·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·objects.·A·color·for·the·null·distance·and·a·color·for·the·max·distance.·If·a·distance·of·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·to·another·atom·object·(stored·in·different·atom·containers)·lies·between·the·null·and·the·max·distance,·the·resulting·color·will·be·interpolated·according·to·the·distance.·</p>
  
241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00297">297</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>241 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00297">297</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>242 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
243 <a·id="a031b76d6fbad854544c8c91f75616a6e"·name="a031b76d6fbad854544c8c91f75616a6e"></a>243 <a·id="a031b76d6fbad854544c8c91f75616a6e"·name="a031b76d6fbad854544c8c91f75616a6e"></a>
244 <h2·class="memtitle"><span·class="permalink"><a·href="#a031b76d6fbad854544c8c91f75616a6e">&#9670;&#160;</a></span>AtomDistanceColorProcessor()·<span·class="overload">[1/2]</span></h2>244 <h2·class="memtitle"><span·class="permalink"><a·href="#a031b76d6fbad854544c8c91f75616a6e">&#9670;&#160;</a></span>AtomDistanceColorProcessor()·<span·class="overload">[1/2]</span></h2>
  
245 <div·class="memitem">245 <div·class="memitem">
246 <div·class="memproto">246 <div·class="memproto">
247 ······<table·class="memname">247 ······<table·class="memname">
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513 <p>Change·the·max·distance.·Every·new·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·is·inserted·into·the·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·with·this·max·distance.·If·the·method·<a·class="el"·href="../../d1/d6d/a08102.html#ae0a9ebe678a5a4cc8b614f2457013913">calculateDistances()</a>·is·called·the·distances·of·the·inserted·atoms·are·calculated.·</p><dl·class="params"><dt>Parameters</dt><dd>513 <p>Change·the·max·distance.·Every·new·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·is·inserted·into·the·<a·class="el"·href="../../d1/d6d/a08102.html">AtomDistanceColorProcessor</a>·with·this·max·distance.·If·the·method·<a·class="el"·href="../../d1/d6d/a08102.html#ae0a9ebe678a5a4cc8b614f2457013913">calculateDistances()</a>·is·called·the·distances·of·the·inserted·atoms·are·calculated.·</p><dl·class="params"><dt>Parameters</dt><dd>
514 ··<table·class="params">514 ··<table·class="params">
515 ····<tr><td·class="paramname">distance</td><td>the·new·max·distance·</td></tr>515 ····<tr><td·class="paramname">distance</td><td>the·new·max·distance·</td></tr>
516 ··</table>516 ··</table>
517 ··</dd>517 ··</dd>
518 </dl>518 </dl>
  
519 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>519 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
520 </div>520 </div>
521 </div>521 </div>
522 <a·id="af500ea2b57068a453e5ea82f4d26dadb"·name="af500ea2b57068a453e5ea82f4d26dadb"></a>522 <a·id="af500ea2b57068a453e5ea82f4d26dadb"·name="af500ea2b57068a453e5ea82f4d26dadb"></a>
523 <h2·class="memtitle"><span·class="permalink"><a·href="#af500ea2b57068a453e5ea82f4d26dadb">&#9670;&#160;</a></span>setMaxDistanceColor()</h2>523 <h2·class="memtitle"><span·class="permalink"><a·href="#af500ea2b57068a453e5ea82f4d26dadb">&#9670;&#160;</a></span>setMaxDistanceColor()</h2>
  
524 <div·class="memitem">524 <div·class="memitem">
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599 ··</td>599 ··</td>
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605 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>605 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
606 </div>606 </div>
607 </div>607 </div>
608 <a·id="a22f1ae1b3b78b732d756cfd8d84f8d15"·name="a22f1ae1b3b78b732d756cfd8d84f8d15"></a>608 <a·id="a22f1ae1b3b78b732d756cfd8d84f8d15"·name="a22f1ae1b3b78b732d756cfd8d84f8d15"></a>
609 <h2·class="memtitle"><span·class="permalink"><a·href="#a22f1ae1b3b78b732d756cfd8d84f8d15">&#9670;&#160;</a></span>showSelected()</h2>609 <h2·class="memtitle"><span·class="permalink"><a·href="#a22f1ae1b3b78b732d756cfd8d84f8d15">&#9670;&#160;</a></span>showSelected()</h2>
  
610 <div·class="memitem">610 <div·class="memitem">
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626 ··</td>626 ··</td>
627 ··<td·class="mlabels-right">627 ··<td·class="mlabels-right">
628 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>628 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
629 ··</tr>629 ··</tr>
630 </table>630 </table>
631 </div><div·class="memdoc">631 </div><div·class="memdoc">
  
632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
633 </div>633 </div>
634 </div>634 </div>
635 </div><!--·contents·-->635 </div><!--·contents·-->
636 <!--·start·footer·part·-->636 <!--·start·footer·part·-->
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/dd6/a07151.html">List·of·all·members</a>··</div>78 <a·href="../../de/dd6/a07151.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::AtomComparator·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::AtomComparator·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:ab34b1035fffcf8525cd08b39f7cd1f0c"·id="r_ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html#ab34b1035fffcf8525cd08b39f7cd1f0c">operator()</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*first,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*second)·const</td></tr>86 <tr·class="memitem:ab34b1035fffcf8525cd08b39f7cd1f0c"·id="r_ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html#ab34b1035fffcf8525cd08b39f7cd1f0c">operator()</a>·(<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*first,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·const·*second)·const</td></tr>
87 <tr·class="separator:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab34b1035fffcf8525cd08b39f7cd1f0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p>A·nested·class·for·our·atom·priorization·</p>90 <div·class="textblock"><p>A·nested·class·for·our·atom·priorization·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
92 </div><h2·class="groupheader">Member·Function·Documentation</h2>92 </div><h2·class="groupheader">Member·Function·Documentation</h2>
93 <a·id="ab34b1035fffcf8525cd08b39f7cd1f0c"·name="ab34b1035fffcf8525cd08b39f7cd1f0c"></a>93 <a·id="ab34b1035fffcf8525cd08b39f7cd1f0c"·name="ab34b1035fffcf8525cd08b39f7cd1f0c"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#ab34b1035fffcf8525cd08b39f7cd1f0c">&#9670;&#160;</a></span>operator()()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#ab34b1035fffcf8525cd08b39f7cd1f0c">&#9670;&#160;</a></span>operator()()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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122 ··</td>122 ··</td>
123 ··<td·class="mlabels-right">123 ··<td·class="mlabels-right">
124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
125 ··</tr>125 ··</tr>
126 </table>126 </table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 </div><!--·contents·-->131 </div><!--·contents·-->
132 <!--·start·footer·part·-->132 <!--·start·footer·part·-->
133 <hr·class="footer"/><address·class="footer"><small>133 <hr·class="footer"/><address·class="footer"><small>
134 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8134 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/ddf/a03711.html">List·of·all·members</a>··</div>78 <a·href="../../df/ddf/a03711.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Result::ResultData·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Result::ResultData·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a01154_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a40ebe7b3826cd1ebeff0355d8b113c9f"·id="r_a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a40ebe7b3826cd1ebeff0355d8b113c9f">ResultData</a>·()</td></tr>86 <tr·class="memitem:a40ebe7b3826cd1ebeff0355d8b113c9f"·id="r_a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a40ebe7b3826cd1ebeff0355d8b113c9f">ResultData</a>·()</td></tr>
87 <tr·class="separator:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a40ebe7b3826cd1ebeff0355d8b113c9f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a433fca6ce4efbff41ce1b276a95514c3"·id="r_a433fca6ce4efbff41ce1b276a95514c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a433fca6ce4efbff41ce1b276a95514c3">ResultData</a>·(int·result_type)</td></tr>88 <tr·class="memitem:a433fca6ce4efbff41ce1b276a95514c3"·id="r_a433fca6ce4efbff41ce1b276a95514c3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a433fca6ce4efbff41ce1b276a95514c3">ResultData</a>·(int·result_type)</td></tr>
89 <tr·class="separator:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a433fca6ce4efbff41ce1b276a95514c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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121 <tr·class="memitem:a9e1dec138a239b028e86202e3dc8523a"·id="r_a9e1dec138a239b028e86202e3dc8523a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a9e1dec138a239b028e86202e3dc8523a">setConformation</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>121 <tr·class="memitem:a9e1dec138a239b028e86202e3dc8523a"·id="r_a9e1dec138a239b028e86202e3dc8523a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a9e1dec138a239b028e86202e3dc8523a">setConformation</a>·(<a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*conf)</td></tr>
122 <tr·class="separator:a9e1dec138a239b028e86202e3dc8523a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:a9e1dec138a239b028e86202e3dc8523a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 <tr·class="memitem:a6fb905c59217887952402a268a601b94"·id="r_a6fb905c59217887952402a268a601b94"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a6fb905c59217887952402a268a601b94">getConformation</a>·()</td></tr>123 <tr·class="memitem:a6fb905c59217887952402a268a601b94"·id="r_a6fb905c59217887952402a268a601b94"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d78/a03714.html#a6fb905c59217887952402a268a601b94">getConformation</a>·()</td></tr>
124 <tr·class="separator:a6fb905c59217887952402a268a601b94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:a6fb905c59217887952402a268a601b94"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 </table>125 </table>
126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
127 <div·class="textblock">127 <div·class="textblock">
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a01154_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/d16/a01154_source.html">result.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">result.h</a>.</p>
129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>129 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
130 <a·id="a40ebe7b3826cd1ebeff0355d8b113c9f"·name="a40ebe7b3826cd1ebeff0355d8b113c9f"></a>130 <a·id="a40ebe7b3826cd1ebeff0355d8b113c9f"·name="a40ebe7b3826cd1ebeff0355d8b113c9f"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a40ebe7b3826cd1ebeff0355d8b113c9f">&#9670;&#160;</a></span>ResultData()·<span·class="overload">[1/2]</span></h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a40ebe7b3826cd1ebeff0355d8b113c9f">&#9670;&#160;</a></span>ResultData()·<span·class="overload">[1/2]</span></h2>
  
132 <div·class="memitem">132 <div·class="memitem">
133 <div·class="memproto">133 <div·class="memproto">
134 ······<table·class="memname">134 ······<table·class="memname">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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8 <title>BALL:·editSingleShortcut.h·File·Reference</title>8 <title>BALL:·nonlinearModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">editSingleShortcut.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">nonlinearModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;BALL/VIEW/UIC/ui_editSingleShortcut.h&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
86 </div>82 </div>
87 <p><a·href="../../d1/d7e/a00434_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d1/d7e/a00434_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">84 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>86 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html">BALL::VIEW::EditSingleShortcut</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d95/a05786.html">BALL::QSAR::NonLinearModel</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>94 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d07/a04743.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d07/a04743.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Sp2HybridizedPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Sp2HybridizedPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Sp2HybridizedPredicate:</div>84 Inheritance·diagram·for·BALL::Sp2HybridizedPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d86/a04746.png"·usemap="#BALL::Sp2HybridizedPredicate_map"·alt=""/>87 ··<img·src="../../d1/d86/a04746.png"·usemap="#BALL::Sp2HybridizedPredicate_map"·alt=""/>
88 ··<map·id="BALL::Sp2HybridizedPredicate_map"·name="BALL::Sp2HybridizedPredicate_map">88 ··<map·id="BALL::Sp2HybridizedPredicate_map"·name="BALL::Sp2HybridizedPredicate_map">
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127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·sp2·hybridized·atoms.·</p>131 <div·class="textblock"><p>Predicate·indicating·sp2·hybridized·atoms.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00744">744</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00744">744</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a61b86416d6e789ba2d2be1ded90811dc"·name="a61b86416d6e789ba2d2be1ded90811dc"></a>134 <a·id="a61b86416d6e789ba2d2be1ded90811dc"·name="a61b86416d6e789ba2d2be1ded90811dc"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a61b86416d6e789ba2d2be1ded90811dc">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a61b86416d6e789ba2d2be1ded90811dc">&#9670;&#160;</a></span>operator()()</h2>
  
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8 <title>BALL:·crystalInfo.h·File·Reference</title>8 <title>BALL:·options.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">crystalInfo.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">options.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/FORMAT/paramFile.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
87 <code>#include·&lt;string&gt;</code><br·/> 
88 </div>87 </div>
89 <p><a·href="../../d1/d87/a00689_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d1/d87/a00689_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">89 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
92 Classes</h2></td></tr>91 Classes</h2></td></tr>
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dfe/a08586.html">BALL::CrystalInfo</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d31/a03558.html">BALL::Options</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d80/a08590.html">BALL::CrystalInfo::Option</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html">BALL::CrystalInfo::Default</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
101 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../dc/d34/a08451.html">List·of·all·members</a>··</div>81 <a·href="../../dc/d34/a08451.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropEditorWidget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropEditorWidget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::PropEditorWidget:</div>87 Inheritance·diagram·for·BALL::VIEW::PropEditorWidget:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d1/d8b/a08454.png"·usemap="#BALL::VIEW::PropEditorWidget_map"·alt=""/>90 ··<img·src="../../d1/d8b/a08454.png"·usemap="#BALL::VIEW::PropEditorWidget_map"·alt=""/>
91 ··<map·id="BALL::VIEW::PropEditorWidget_map"·name="BALL::VIEW::PropEditorWidget_map">91 ··<map·id="BALL::VIEW::PropEditorWidget_map"·name="BALL::VIEW::PropEditorWidget_map">
92 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,203,24"/>92 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,203,24"/>
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145 <tr·class="separator:a46403e234f863163cb9af4c8641d036b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>145 <tr·class="separator:a46403e234f863163cb9af4c8641d036b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
146 <tr·class="memitem:a7966a2071c642020d77e2fa614507787"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>146 <tr·class="memitem:a7966a2071c642020d77e2fa614507787"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
147 <tr·class="separator:a7966a2071c642020d77e2fa614507787"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:a7966a2071c642020d77e2fa614507787"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 </table>148 </table>
149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock"><p>Abstract·baseclass·for·widgets·providing·editor·capability·for·a·single·<a·class="el"·href="../../d6/d18/a03350.html">NamedProperty</a>·If·you·wish·to·provide·you·own·property·editor·you·need·to·inherit·from·this·class.·</p>150 <div·class="textblock"><p>Abstract·baseclass·for·widgets·providing·editor·capability·for·a·single·<a·class="el"·href="../../d6/d18/a03350.html">NamedProperty</a>·If·you·wish·to·provide·you·own·property·editor·you·need·to·inherit·from·this·class.·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
153 <a·id="a34a74ae138bdd5f459df2d15d4f4e2b9"·name="a34a74ae138bdd5f459df2d15d4f4e2b9"></a>153 <a·id="a34a74ae138bdd5f459df2d15d4f4e2b9"·name="a34a74ae138bdd5f459df2d15d4f4e2b9"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#a34a74ae138bdd5f459df2d15d4f4e2b9">&#9670;&#160;</a></span>PropEditorWidget()</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#a34a74ae138bdd5f459df2d15d4f4e2b9">&#9670;&#160;</a></span>PropEditorWidget()</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
156 <div·class="memproto">156 <div·class="memproto">
157 ······<table·class="memname">157 ······<table·class="memname">
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553 ··</td>553 ··</td>
554 ··<td·class="mlabels-right">554 ··<td·class="mlabels-right">
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560 </div>560 </div>
561 </div>561 </div>
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78 <a·href="../../dd/de8/a06223.html">List·of·all·members</a>··</div>78 <a·href="../../dd/de8/a06223.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CHPI·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CHPI·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::CHPI:</div>84 Inheritance·diagram·for·BALL::CHPI:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d8c/a06226.png"·usemap="#BALL::CHPI_map"·alt=""/>87 ··<img·src="../../d1/d8c/a06226.png"·usemap="#BALL::CHPI_map"·alt=""/>
88 ··<map·id="BALL::CHPI_map"·name="BALL::CHPI_map">88 ··<map·id="BALL::CHPI_map"·name="BALL::CHPI_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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210 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>210 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
211 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d3/def/a01985.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>214 <div·class="textblock"><p>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../da/d14/a02066.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
217 <a·id="a99c4ca336b1f14237f440dedf7081e52"·name="a99c4ca336b1f14237f440dedf7081e52"></a>217 <a·id="a99c4ca336b1f14237f440dedf7081e52"·name="a99c4ca336b1f14237f440dedf7081e52"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a99c4ca336b1f14237f440dedf7081e52">&#9670;&#160;</a></span>CHPI()·<span·class="overload">[1/3]</span></h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a99c4ca336b1f14237f440dedf7081e52">&#9670;&#160;</a></span>CHPI()·<span·class="overload">[1/3]</span></h2>
  
219 <div·class="memitem">219 <div·class="memitem">
220 <div·class="memproto">220 <div·class="memproto">
221 ······<table·class="memname">221 ······<table·class="memname">
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488 ········<tr>488 ········<tr>
489 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPI::options</td>489 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPI::options</td>
490 ········</tr>490 ········</tr>
491 ······</table>491 ······</table>
492 </div><div·class="memdoc">492 </div><div·class="memdoc">
  
493 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>493 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
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495 </div>495 </div>
496 </div><!--·contents·-->496 </div><!--·contents·-->
497 <!--·start·footer·part·-->497 <!--·start·footer·part·-->
498 <hr·class="footer"/><address·class="footer"><small>498 <hr·class="footer"/><address·class="footer"><small>
499 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8499 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molecularInteractions.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">resourceFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;map&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;BALL/FORMAT/resourceFile.iC&gt;</code><br·/>
84 </div>88 </div>
85 <p><a·href="../../d1/d93/a00875_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d1/d93/a00875_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">90 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d36/a04430.html">BALL::ResourceEntry::IteratorTraits_</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d23/a04538.html">BALL::MolecularInteractions</a></td></tr>97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d10/a04434.html">BALL::ResourceFile</a></td></tr>
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93 Namespaces</h2></td></tr>101 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d19/a05651.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d19/a05651.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ConnectivityBase·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ConnectivityBase·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ConnectivityBase:</div>83 Inheritance·diagram·for·BALL::ConnectivityBase:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d96/a05654.png"·usemap="#BALL::ConnectivityBase_map"·alt=""/>86 ··<img·src="../../d1/d96/a05654.png"·usemap="#BALL::ConnectivityBase_map"·alt=""/>
87 ··<map·id="BALL::ConnectivityBase_map"·name="BALL::ConnectivityBase_map">87 ··<map·id="BALL::ConnectivityBase_map"·name="BALL::ConnectivityBase_map">
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176 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>176 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
177 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>177 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
178 </table>178 </table>
179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
180 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·connectivity·descriptors·class·\·</p>180 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·connectivity·descriptors·class·\·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/def/a01016_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../de/def/a01016_source.html">connectivityBase.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">connectivityBase.h</a>.</p>
182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
183 <a·id="a201d58e009ea84b1e1b69e81c954f1c0"·name="a201d58e009ea84b1e1b69e81c954f1c0"></a>183 <a·id="a201d58e009ea84b1e1b69e81c954f1c0"·name="a201d58e009ea84b1e1b69e81c954f1c0"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#a201d58e009ea84b1e1b69e81c954f1c0">&#9670;&#160;</a></span>ConnectivityBase()·<span·class="overload">[1/4]</span></h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#a201d58e009ea84b1e1b69e81c954f1c0">&#9670;&#160;</a></span>ConnectivityBase()·<span·class="overload">[1/4]</span></h2>
  
185 <div·class="memitem">185 <div·class="memitem">
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../dc/d9b/a04615.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d9b/a04615.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PTE_::SymbolToElement·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PTE_::SymbolToElement·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ab673e45913dec6e0515030f9f7a59c9e"·id="r_ab673e45913dec6e0515030f9f7a59c9e"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#ab673e45913dec6e0515030f9f7a59c9e">symbol</a></td></tr>86 <tr·class="memitem:ab673e45913dec6e0515030f9f7a59c9e"·id="r_ab673e45913dec6e0515030f9f7a59c9e"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#ab673e45913dec6e0515030f9f7a59c9e">symbol</a></td></tr>
87 <tr·class="separator:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab673e45913dec6e0515030f9f7a59c9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a5db56398cea78c238f1a20896ebef763"·id="r_a5db56398cea78c238f1a20896ebef763"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#a5db56398cea78c238f1a20896ebef763">element</a></td></tr>88 <tr·class="memitem:a5db56398cea78c238f1a20896ebef763"·id="r_a5db56398cea78c238f1a20896ebef763"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9a/a04618.html#a5db56398cea78c238f1a20896ebef763">element</a></td></tr>
89 <tr·class="separator:a5db56398cea78c238f1a20896ebef763"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a5db56398cea78c238f1a20896ebef763"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a00854_source.html#l00768">768</a>·of·file·<a·class="el"·href="../../d6/d2f/a00854_source.html">PTE.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00768">768</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a5db56398cea78c238f1a20896ebef763"·name="a5db56398cea78c238f1a20896ebef763"></a>95 <a·id="a5db56398cea78c238f1a20896ebef763"·name="a5db56398cea78c238f1a20896ebef763"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a5db56398cea78c238f1a20896ebef763">&#9670;&#160;</a></span>element</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a5db56398cea78c238f1a20896ebef763">&#9670;&#160;</a></span>element</h2>
  
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100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::PTE_::SymbolToElement::element</td>101 ··········<td·class="memname"><a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::PTE_::SymbolToElement::element</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a00854_source.html#l00774">774</a>·of·file·<a·class="el"·href="../../d6/d2f/a00854_source.html">PTE.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00774">774</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="ab673e45913dec6e0515030f9f7a59c9e"·name="ab673e45913dec6e0515030f9f7a59c9e"></a>108 <a·id="ab673e45913dec6e0515030f9f7a59c9e"·name="ab673e45913dec6e0515030f9f7a59c9e"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab673e45913dec6e0515030f9f7a59c9e">&#9670;&#160;</a></span>symbol</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab673e45913dec6e0515030f9f7a59c9e">&#9670;&#160;</a></span>symbol</h2>
  
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118 ········<tr>118 ········<tr>
119 ··········<td·class="memname">const·char*·BALL::PTE_::SymbolToElement::symbol</td>119 ··········<td·class="memname">const·char*·BALL::PTE_::SymbolToElement::symbol</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a00854_source.html#l00771">771</a>·of·file·<a·class="el"·href="../../d6/d2f/a00854_source.html">PTE.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00771">771</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
  
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125 </div>125 </div>
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129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/dea/a05863.html">List·of·all·members</a>··</div>77 <a·href="../../d2/dea/a05863.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RRModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RRModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d98/a00983_source.html">BALL/QSAR/rrModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/dee/a00383_source.html">BALL/QSAR/rrModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::RRModel:</div>83 Inheritance·diagram·for·BALL::QSAR::RRModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/d9a/a05866.png"·usemap="#BALL::QSAR::RRModel_map"·alt=""/>86 ··<img·src="../../d1/d9a/a05866.png"·usemap="#BALL::QSAR::RRModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::RRModel_map"·name="BALL::QSAR::RRModel_map">87 ··<map·id="BALL::QSAR::RRModel_map"·name="BALL::QSAR::RRModel_map">
88 <area·href="../../d2/d90/a05770.html"·alt="BALL::QSAR::MLRModel"·shape="rect"·coords="0,168,188,192"/>88 <area·href="../../d2/d90/a05770.html"·alt="BALL::QSAR::MLRModel"·shape="rect"·coords="0,168,188,192"/>
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248 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>248 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
249 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>249 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
250 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>250 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
251 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 </table>252 </table>
253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>253 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
254 <div·class="textblock">254 <div·class="textblock">
255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">rrModel.h</a>.</p>255 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dee/a00383_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../da/dee/a00383_source.html">rrModel.h</a>.</p>
256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>256 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
257 <a·id="a29ba91d69eb4f67c47b2b642f12adac0"·name="a29ba91d69eb4f67c47b2b642f12adac0"></a>257 <a·id="a29ba91d69eb4f67c47b2b642f12adac0"·name="a29ba91d69eb4f67c47b2b642f12adac0"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#a29ba91d69eb4f67c47b2b642f12adac0">&#9670;&#160;</a></span>RRModel()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#a29ba91d69eb4f67c47b2b642f12adac0">&#9670;&#160;</a></span>RRModel()</h2>
  
259 <div·class="memitem">259 <div·class="memitem">
260 <div·class="memproto">260 <div·class="memproto">
261 ······<table·class="memname">261 ······<table·class="memname">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../de/d38/a06447.html">List·of·all·members</a>··</div>78 <a·href="../../de/d38/a06447.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SLICKScore:</div>84 Inheritance·diagram·for·BALL::SLICKScore:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d9c/a06450.png"·usemap="#BALL::SLICKScore_map"·alt=""/>87 ··<img·src="../../d1/d9c/a06450.png"·usemap="#BALL::SLICKScore_map"·alt=""/>
88 ··<map·id="BALL::SLICKScore_map"·name="BALL::SLICKScore_map">88 ··<map·id="BALL::SLICKScore_map"·name="BALL::SLICKScore_map">
89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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422 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>422 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
423 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>423 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
424 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>424 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
425 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>425 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
426 </table>426 </table>
427 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>427 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
428 <div·class="textblock"><p><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d4/d9b/a02039.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>}·</p>428 <div·class="textblock"><p><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d8/d45/a02021.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>}·</p>
  
429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
430 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>430 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
431 <a·id="a602700457a7ff6a0b627c72ab65b44fb"·name="a602700457a7ff6a0b627c72ab65b44fb"></a>431 <a·id="a602700457a7ff6a0b627c72ab65b44fb"·name="a602700457a7ff6a0b627c72ab65b44fb"></a>
432 <h2·class="memtitle"><span·class="permalink"><a·href="#a602700457a7ff6a0b627c72ab65b44fb">&#9670;&#160;</a></span>SLICKScore()·<span·class="overload">[1/3]</span></h2>432 <h2·class="memtitle"><span·class="permalink"><a·href="#a602700457a7ff6a0b627c72ab65b44fb">&#9670;&#160;</a></span>SLICKScore()·<span·class="overload">[1/3]</span></h2>
  
433 <div·class="memitem">433 <div·class="memitem">
434 <div·class="memproto">434 <div·class="memproto">
435 ······<table·class="memname">435 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/de0/a05711.html">List·of·all·members</a>··</div>78 <a·href="../../dd/de0/a05711.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ConfigurationReadingError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ConfigurationReadingError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::ConfigurationReadingError:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::ConfigurationReadingError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/d9f/a05714.png"·usemap="#BALL::QSAR::Exception::ConfigurationReadingError_map"·alt=""/>87 ··<img·src="../../d1/d9f/a05714.png"·usemap="#BALL::QSAR::Exception::ConfigurationReadingError_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::ConfigurationReadingError_map"·name="BALL::QSAR::Exception::ConfigurationReadingError_map">88 ··<map·id="BALL::QSAR::Exception::ConfigurationReadingError_map"·name="BALL::QSAR::Exception::ConfigurationReadingError_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,303,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,303,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>exception·that·is·thrown·when·parameters·are·missing·or·incorrect·within·an·config-file·section·</p>143 <div·class="textblock"><p>exception·that·is·thrown·when·parameters·are·missing·or·incorrect·within·an·config-file·section·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a07d0c9175a7d2c102c210597fad0367f"·name="a07d0c9175a7d2c102c210597fad0367f"></a>146 <a·id="a07d0c9175a7d2c102c210597fad0367f"·name="a07d0c9175a7d2c102c210597fad0367f"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d0c9175a7d2c102c210597fad0367f">&#9670;&#160;</a></span>ConfigurationReadingError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d0c9175a7d2c102c210597fad0367f">&#9670;&#160;</a></span>ConfigurationReadingError()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/df0/a03763.html">List·of·all·members</a>··</div>78 <a·href="../../d4/df0/a03763.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GeneticIndividual·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GeneticIndividual·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/DOCKING/GENETICDOCK/geneticIndividual.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d93/a01535_source.html">BALL/DOCKING/GENETICDOCK/geneticIndividual.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a73285c5e8f6a1b57b38e3f68e04affe8"·id="r_a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a73285c5e8f6a1b57b38e3f68e04affe8">GeneticIndividual</a>·()</td></tr>86 <tr·class="memitem:a73285c5e8f6a1b57b38e3f68e04affe8"·id="r_a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a73285c5e8f6a1b57b38e3f68e04affe8">GeneticIndividual</a>·()</td></tr>
87 <tr·class="separator:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a73285c5e8f6a1b57b38e3f68e04affe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aee5b81336b6829a28679e5069370e61e"·id="r_aee5b81336b6829a28679e5069370e61e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#aee5b81336b6829a28679e5069370e61e">GeneticIndividual</a>·(const·<a·class="el"·href="../../d1/da4/a03766.html">GeneticIndividual</a>·&amp;gi)</td></tr>88 <tr·class="memitem:aee5b81336b6829a28679e5069370e61e"·id="r_aee5b81336b6829a28679e5069370e61e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#aee5b81336b6829a28679e5069370e61e">GeneticIndividual</a>·(const·<a·class="el"·href="../../d1/da4/a03766.html">GeneticIndividual</a>·&amp;gi)</td></tr>
89 <tr·class="separator:aee5b81336b6829a28679e5069370e61e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aee5b81336b6829a28679e5069370e61e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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115 <tr·class="memitem:ae6773adcf9a73a809886ceb4b3fb68e4"·id="r_ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#ae6773adcf9a73a809886ceb4b3fb68e4">setMutated</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>)</td></tr>115 <tr·class="memitem:ae6773adcf9a73a809886ceb4b3fb68e4"·id="r_ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#ae6773adcf9a73a809886ceb4b3fb68e4">setMutated</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>)</td></tr>
116 <tr·class="separator:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:ae6773adcf9a73a809886ceb4b3fb68e4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 <tr·class="memitem:a03f524d8ecaceb16f8b71809bdfd3bef"·id="r_a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a03f524d8ecaceb16f8b71809bdfd3bef">randomize</a>·()</td></tr>117 <tr·class="memitem:a03f524d8ecaceb16f8b71809bdfd3bef"·id="r_a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a03766.html#a03f524d8ecaceb16f8b71809bdfd3bef">randomize</a>·()</td></tr>
118 <tr·class="separator:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a03f524d8ecaceb16f8b71809bdfd3bef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock">121 <div·class="textblock">
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a01112_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d0/d39/a01112_source.html">geneticIndividual.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d93/a01535_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dc/d93/a01535_source.html">geneticIndividual.h</a>.</p>
123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
124 <a·id="a73285c5e8f6a1b57b38e3f68e04affe8"·name="a73285c5e8f6a1b57b38e3f68e04affe8"></a>124 <a·id="a73285c5e8f6a1b57b38e3f68e04affe8"·name="a73285c5e8f6a1b57b38e3f68e04affe8"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#a73285c5e8f6a1b57b38e3f68e04affe8">&#9670;&#160;</a></span>GeneticIndividual()·<span·class="overload">[1/2]</span></h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a73285c5e8f6a1b57b38e3f68e04affe8">&#9670;&#160;</a></span>GeneticIndividual()·<span·class="overload">[1/2]</span></h2>
  
126 <div·class="memitem">126 <div·class="memitem">
127 <div·class="memproto">127 <div·class="memproto">
128 ······<table·class="memname">128 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d0/de5/a04239.html">List·of·all·members</a>··</div>78 <a·href="../../d0/de5/a04239.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordKEYWDS·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordKEYWDS·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a6a19df32d0e26c5d4e0a428ee1fd4ef4"·id="r_a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a6a19df32d0e26c5d4e0a428ee1fd4ef4">record_type</a></td></tr>86 <tr·class="memitem:a6a19df32d0e26c5d4e0a428ee1fd4ef4"·id="r_a6a19df32d0e26c5d4e0a428ee1fd4ef4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da4/a04242.html#a6a19df32d0e26c5d4e0a428ee1fd4ef4">record_type</a></td></tr>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
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 84 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/>
 85 <code>#include·&lt;boost/graph/graph_traits.hpp&gt;</code><br·/>
 86 <code>#include·&lt;boost/graph/incremental_components.hpp&gt;</code><br·/>
 87 <code>#include·&lt;boost/thread/mutex.hpp&gt;</code><br·/>
 88 <code>#include·&lt;boost/thread/thread.hpp&gt;</code><br·/>
 89 <code>#include·&lt;boost/unordered_set.hpp&gt;</code><br·/>
 90 <code>#include·&lt;map&gt;</code><br·/>
 91 <code>#include·&lt;set&gt;</code><br·/>
 92 <code>#include·&lt;vector&gt;</code><br·/>
84 </div>93 </div>
85 <p><a·href="../../d1/da7/a01709_source.html">Go·to·the·source·code·of·this·file.</a></p>94 <p><a·href="../../d1/da7/a01709_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">95 <table·class="memberdecls">
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82 <code>#include·&lt;<a·class="el"·href="../../db/d3a/a00641_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/> 
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79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.··82 <p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.··
83 ·<a·href="../../d1/dac/a06750.html#details">More...</a></p>83 ·<a·href="../../d1/dac/a06750.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a08cfdc1f66f40ac9cdead5dfff50eb62"·id="r_a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dac/a06750.html#a08cfdc1f66f40ac9cdead5dfff50eb62">UPPER_PENALTY_BOUND</a></td></tr>88 <tr·class="memitem:a08cfdc1f66f40ac9cdead5dfff50eb62"·id="r_a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dac/a06750.html#a08cfdc1f66f40ac9cdead5dfff50eb62">UPPER_PENALTY_BOUND</a></td></tr>
89 <tr·class="separator:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a08cfdc1f66f40ac9cdead5dfff50eb62"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d1/dac/a06750.html"·title="Default·option·values.">Default</a>·option·values.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
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96 <h2·class="memtitle"><span·class="permalink"><a·href="#a08cfdc1f66f40ac9cdead5dfff50eb62">&#9670;&#160;</a></span>UPPER_PENALTY_BOUND</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a08cfdc1f66f40ac9cdead5dfff50eb62">&#9670;&#160;</a></span>UPPER_PENALTY_BOUND</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>117 <p>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
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79 </div><!--header-->79 </div><!--header-->
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81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/db2/a00737_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
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87 <p><a·href="../../d1/dae/a01136_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d1/dae/a01136_source.html">Go·to·the·source·code·of·this·file.</a></p>
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96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 </div><!--header-->79 </div><!--header-->
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 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/STRUCTURE/piecewiseFunction.h&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 85 </div>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d8f/a06534.html">BALL::PairExpRDFIntegrator::Option</a></td></tr>
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 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html">BALL::PairExpRDFIntegrator::Default</a></td></tr>
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78 ··<div·class="headertitle"><div·class="title">BALL::Exception::GlobalExceptionHandler·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Exception::GlobalExceptionHandler·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
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84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>
86 <tr·class="memitem:a412d8dbe082ebb57321017aa1b7895ad"·id="r_a412d8dbe082ebb57321017aa1b7895ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#a412d8dbe082ebb57321017aa1b7895ad">GlobalExceptionHandler</a>·()</td></tr>86 <tr·class="memitem:a412d8dbe082ebb57321017aa1b7895ad"·id="r_a412d8dbe082ebb57321017aa1b7895ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a03174.html#a412d8dbe082ebb57321017aa1b7895ad">GlobalExceptionHandler</a>·()</td></tr>
87 <tr·class="separator:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a412d8dbe082ebb57321017aa1b7895ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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118 <tr·class="separator:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:ab2cf76e34d00e1bd1af99c96a8c2df70"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p>Class·handling·uncaught·exception·globally.·</p>121 <div·class="textblock"><p>Class·handling·uncaught·exception·globally.·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00493">493</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00493">493</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
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125 <h2·class="memtitle"><span·class="permalink"><a·href="#a412d8dbe082ebb57321017aa1b7895ad">&#9670;&#160;</a></span>GlobalExceptionHandler()</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a412d8dbe082ebb57321017aa1b7895ad">&#9670;&#160;</a></span>GlobalExceptionHandler()</h2>
  
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458 </div>458 </div>
459 </div>459 </div>
460 </div><!--·contents·-->460 </div><!--·contents·-->
461 <!--·start·footer·part·-->461 <!--·start·footer·part·-->
462 <hr·class="footer"/><address·class="footer"><small>462 <hr·class="footer"/><address·class="footer"><small>
463 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8463 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 <a·href="#pro-static-methods">Static·Protected·Member·Functions</a>·&#124;80 <a·href="#pro-static-methods">Static·Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../d4/d7c/a06327.html">List·of·all·members</a>··</div>82 <a·href="../../d4/d7c/a06327.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::PLP·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::PLP·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::PLP:</div>88 Inheritance·diagram·for·BALL::PLP:</div>
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90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d1/db4/a06330.png"·usemap="#BALL::PLP_map"·alt=""/>91 ··<img·src="../../d1/db4/a06330.png"·usemap="#BALL::PLP_map"·alt=""/>
92 ··<map·id="BALL::PLP_map"·name="BALL::PLP_map">92 ··<map·id="BALL::PLP_map"·name="BALL::PLP_map">
93 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>93 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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271 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>271 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
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273 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>273 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
274 </table>274 </table>
275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
276 <div·class="textblock"><p>Piecewise·Linear·Potential·</p>276 <div·class="textblock"><p>Piecewise·Linear·Potential·</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">PLP.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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280 <h2·class="memtitle"><span·class="permalink"><a·href="#a25c30bbbd6cef5ef72f11343e7238cae">&#9670;&#160;</a></span>PLP()·<span·class="overload">[1/3]</span></h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#a25c30bbbd6cef5ef72f11343e7238cae">&#9670;&#160;</a></span>PLP()·<span·class="overload">[1/3]</span></h2>
  
281 <div·class="memitem">281 <div·class="memitem">
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283 ······<table·class="memname">283 ······<table·class="memname">
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781 ··</td>781 ··</td>
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784 ··</tr>784 ··</tr>
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788 </div>788 </div>
789 </div>789 </div>
790 <a·id="a21961498329c6498ab075aaeccac6c18"·name="a21961498329c6498ab075aaeccac6c18"></a>790 <a·id="a21961498329c6498ab075aaeccac6c18"·name="a21961498329c6498ab075aaeccac6c18"></a>
791 <h2·class="memtitle"><span·class="permalink"><a·href="#a21961498329c6498ab075aaeccac6c18">&#9670;&#160;</a></span>vdw_energy_</h2>791 <h2·class="memtitle"><span·class="permalink"><a·href="#a21961498329c6498ab075aaeccac6c18">&#9670;&#160;</a></span>vdw_energy_</h2>
  
792 <div·class="memitem">792 <div·class="memitem">
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805 ··</td>805 ··</td>
806 ··<td·class="mlabels-right">806 ··<td·class="mlabels-right">
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808 ··</tr>808 ··</tr>
809 </table>809 </table>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/db0/a05447.html">List·of·all·members</a>··</div>77 <a·href="../../d1/db0/a05447.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Templates·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Templates·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/MOLMEC/PARAMETER/templates.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/MOLMEC/PARAMETER/templates.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Templates:</div>83 Inheritance·diagram·for·BALL::Templates:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/db8/a05450.png"·usemap="#BALL::Templates_map"·alt=""/>86 ··<img·src="../../d1/db8/a05450.png"·usemap="#BALL::Templates_map"·alt=""/>
87 ··<map·id="BALL::Templates_map"·name="BALL::Templates_map">87 ··<map·id="BALL::Templates_map"·name="BALL::Templates_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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204 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>205 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
206 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>206 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
207 </table>207 </table>
208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>208 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
209 <div·class="textblock"><p>Force·Field·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·Template·Class.·</p>209 <div·class="textblock"><p>Force·Field·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·Template·Class.·</p>
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">templates.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">templates.h</a>.</p>
211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>211 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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214 <div·class="memitem">214 <div·class="memitem">
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615 ··</td>615 ··</td>
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618 ··</tr>618 ··</tr>
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621 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">templates.h</a>.</p>621 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">templates.h</a>.</p>
  
622 </div>622 </div>
623 </div>623 </div>
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625 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a7c02d9f8cba31a1290ec489f73e17">&#9670;&#160;</a></span>max_number_unassigned_atoms_</h2>625 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a7c02d9f8cba31a1290ec489f73e17">&#9670;&#160;</a></span>max_number_unassigned_atoms_</h2>
  
626 <div·class="memitem">626 <div·class="memitem">
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639 ··</td>639 ··</td>
640 ··<td·class="mlabels-right">640 ··<td·class="mlabels-right">
641 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>641 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
642 ··</tr>642 ··</tr>
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645 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">templates.h</a>.</p>645 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">templates.h</a>.</p>
  
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663 ··</td>663 ··</td>
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670 </div>670 </div>
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687 ··</td>687 ··</td>
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694 </div>694 </div>
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697 <!--·start·footer·part·-->697 <!--·start·footer·part·-->
698 <hr·class="footer"/><address·class="footer"><small>698 <hr·class="footer"/><address·class="footer"><small>
699 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8699 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../de/d5b/a06307.html">List·of·all·members</a>··</div>78 <a·href="../../de/d5b/a06307.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Lipophilic::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMPONENTS/lipophilic.h</a>&gt;</code></p>
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89 <tr·class="separator:a07d58c843bcc941bcbfb060268147c6e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a07d58c843bcc941bcbfb060268147c6e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="separator:ae55283e84cb51b503abcb4500356df0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:ae55283e84cb51b503abcb4500356df0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:a4f4b6af74d9afd56e95fab3d01e5dbdf"·id="r_a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a4f4b6af74d9afd56e95fab3d01e5dbdf">VERBOSITY</a></td></tr>93 <tr·class="memitem:a4f4b6af74d9afd56e95fab3d01e5dbdf"·id="r_a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html#a4f4b6af74d9afd56e95fab3d01e5dbdf">VERBOSITY</a></td></tr>
94 <tr·class="separator:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a4f4b6af74d9afd56e95fab3d01e5dbdf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p><a·class="el"·href="../../d1/dbe/a06310.html">Default</a>·values·for·SLICK·options.·</p>97 <div·class="textblock"><p><a·class="el"·href="../../d1/dbe/a06310.html">Default</a>·values·for·SLICK·options.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d46/a01967_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/d46/a01967_source.html">lipophilic.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">lipophilic.h</a>.</p>
99 </div><h2·class="groupheader">Member·Data·Documentation</h2>99 </div><h2·class="groupheader">Member·Data·Documentation</h2>
100 <a·id="ae55283e84cb51b503abcb4500356df0b"·name="ae55283e84cb51b503abcb4500356df0b"></a>100 <a·id="ae55283e84cb51b503abcb4500356df0b"·name="ae55283e84cb51b503abcb4500356df0b"></a>
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172 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f4b6af74d9afd56e95fab3d01e5dbdf">&#9670;&#160;</a></span>VERBOSITY</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a4f4b6af74d9afd56e95fab3d01e5dbdf">&#9670;&#160;</a></span>VERBOSITY</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
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186 ··</td>186 ··</td>
187 ··<td·class="mlabels-right">187 ··<td·class="mlabels-right">
188 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>188 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../da/d1b/a08083.html">List·of·all·members</a>··</div>80 <a·href="../../da/d1b/a08083.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ChainColorProcessor·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ChainColorProcessor·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::ChainColorProcessor:</div>86 Inheritance·diagram·for·BALL::VIEW::ChainColorProcessor:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d1/dc3/a08086.png"·usemap="#BALL::VIEW::ChainColorProcessor_map"·alt=""/>89 ··<img·src="../../d1/dc3/a08086.png"·usemap="#BALL::VIEW::ChainColorProcessor_map"·alt=""/>
90 ··<map·id="BALL::VIEW::ChainColorProcessor_map"·name="BALL::VIEW::ChainColorProcessor_map">90 ··<map·id="BALL::VIEW::ChainColorProcessor_map"·name="BALL::VIEW::ChainColorProcessor_map">
91 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>91 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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242 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"·id="r_aca8cefb33c4b6745e085cd5b908528b1"><td·class="memItemLeft"·align="right"·valign="top">typedef·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>242 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"·id="r_aca8cefb33c4b6745e085cd5b908528b1"><td·class="memItemLeft"·align="right"·valign="top">typedef·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>
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244 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>244 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
245 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>245 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
246 </table>246 </table>
247 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>247 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
248 <div·class="textblock">248 <div·class="textblock">
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
250 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>250 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
251 <a·id="a3dff00d4d2bc213ec9664675362dc910"·name="a3dff00d4d2bc213ec9664675362dc910"></a>251 <a·id="a3dff00d4d2bc213ec9664675362dc910"·name="a3dff00d4d2bc213ec9664675362dc910"></a>
252 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dff00d4d2bc213ec9664675362dc910">&#9670;&#160;</a></span>ChainColorProcessor()</h2>252 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dff00d4d2bc213ec9664675362dc910">&#9670;&#160;</a></span>ChainColorProcessor()</h2>
  
253 <div·class="memitem">253 <div·class="memitem">
254 <div·class="memproto">254 <div·class="memproto">
255 ······<table·class="memname">255 ······<table·class="memname">
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316 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>316 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
317 ··</tr>317 ··</tr>
318 </table>318 </table>
319 </div><div·class="memdoc">319 </div><div·class="memdoc">
  
320 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>320 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>
  
321 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>321 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
322 </div>322 </div>
323 </div>323 </div>
324 <a·id="a74af1a704c335edaf39712b6228016e4"·name="a74af1a704c335edaf39712b6228016e4"></a>324 <a·id="a74af1a704c335edaf39712b6228016e4"·name="a74af1a704c335edaf39712b6228016e4"></a>
325 <h2·class="memtitle"><span·class="permalink"><a·href="#a74af1a704c335edaf39712b6228016e4">&#9670;&#160;</a></span>isOK_()</h2>325 <h2·class="memtitle"><span·class="permalink"><a·href="#a74af1a704c335edaf39712b6228016e4">&#9670;&#160;</a></span>isOK_()</h2>
  
326 <div·class="memitem">326 <div·class="memitem">
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347 ··</tr>347 ··</tr>
348 </table>348 </table>
349 </div><div·class="memdoc">349 </div><div·class="memdoc">
  
350 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>350 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>
  
351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
352 </div>352 </div>
353 </div>353 </div>
354 <h2·class="groupheader">Member·Data·Documentation</h2>354 <h2·class="groupheader">Member·Data·Documentation</h2>
355 <a·id="ad1f83a45dfe1b849c5162c988868d4df"·name="ad1f83a45dfe1b849c5162c988868d4df"></a>355 <a·id="ad1f83a45dfe1b849c5162c988868d4df"·name="ad1f83a45dfe1b849c5162c988868d4df"></a>
356 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f83a45dfe1b849c5162c988868d4df">&#9670;&#160;</a></span>dummy_chain_</h2>356 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f83a45dfe1b849c5162c988868d4df">&#9670;&#160;</a></span>dummy_chain_</h2>
  
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371 ··</td>371 ··</td>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">amberEvaluation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">polarity.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d1/dc4/a02042_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d1/dc4/a02042_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d19/a06382.html">BALL::AmberEvaluation</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d9c/a06342.html">BALL::Polarity</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/da5/a05699.html">List·of·all·members</a>··</div>78 <a·href="../../d4/da5/a05699.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::TooManyPLSComponents·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::TooManyPLSComponents·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::TooManyPLSComponents:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::TooManyPLSComponents:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/dc4/a05702.png"·usemap="#BALL::QSAR::Exception::TooManyPLSComponents_map"·alt=""/>87 ··<img·src="../../d1/dc4/a05702.png"·usemap="#BALL::QSAR::Exception::TooManyPLSComponents_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::TooManyPLSComponents_map"·name="BALL::QSAR::Exception::TooManyPLSComponents_map">88 ··<map·id="BALL::QSAR::Exception::TooManyPLSComponents_map"·name="BALL::QSAR::Exception::TooManyPLSComponents_map">
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>There·may·not·be·more·PLS·components·than·features·</p>143 <div·class="textblock"><p>There·may·not·be·more·PLS·components·than·features·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a8c20cadaf60fcf9b8a84583aaaa5e8d0"·name="a8c20cadaf60fcf9b8a84583aaaa5e8d0"></a>146 <a·id="a8c20cadaf60fcf9b8a84583aaaa5e8d0"·name="a8c20cadaf60fcf9b8a84583aaaa5e8d0"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c20cadaf60fcf9b8a84583aaaa5e8d0">&#9670;&#160;</a></span>TooManyPLSComponents()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c20cadaf60fcf9b8a84583aaaa5e8d0">&#9670;&#160;</a></span>TooManyPLSComponents()</h2>
  
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8 <title>BALL:·fileObserver.h·File·Reference</title>8 <title>BALL:·svrModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fileObserver.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">svrModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
83 <code>#include·&lt;QtCore/QDateTime&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d1/dc6/a00347_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d1/dc6/a00347_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>97 </table>
99 </div><!--·contents·-->98 </div><!--·contents·-->
100 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d03/a05655.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d03/a05655.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ZagrebIndex·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ZagrebIndex·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d82/a00920_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ZagrebIndex:</div>83 Inheritance·diagram·for·BALL::ZagrebIndex:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d1/dc8/a05658.png"·usemap="#BALL::ZagrebIndex_map"·alt=""/>86 ··<img·src="../../d1/dc8/a05658.png"·usemap="#BALL::ZagrebIndex_map"·alt=""/>
87 ··<map·id="BALL::ZagrebIndex_map"·name="BALL::ZagrebIndex_map">87 ··<map·id="BALL::ZagrebIndex_map"·name="BALL::ZagrebIndex_map">
88 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>88 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>
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179 <tr·class="memitem:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"·id="r_a3bf161323d865a8bb1638045f02c454b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a05654.html#a3bf161323d865a8bb1638045f02c454b">calculate_</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;ac)</td></tr>179 <tr·class="memitem:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"·id="r_a3bf161323d865a8bb1638045f02c454b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a05654.html#a3bf161323d865a8bb1638045f02c454b">calculate_</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;ac)</td></tr>
180 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>180 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
181 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>181 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>
182 </table>182 </table>
183 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>183 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
184 <div·class="textblock"><p>This·descriptor·returns·the·Zagreb·Index,·which·is·calculated·as:·$\sum_i·d_i^2$,·over·all·heavy·atoms·</p>184 <div·class="textblock"><p>This·descriptor·returns·the·Zagreb·Index,·which·is·calculated·as:·$\sum_i·d_i^2$,·over·all·heavy·atoms·</p>
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a00920_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d6/d82/a00920_source.html">connectivityDescriptors.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">connectivityDescriptors.h</a>.</p>
186 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>186 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
187 <a·id="a835aba7ad85bbb269c159c6a1699d12b"·name="a835aba7ad85bbb269c159c6a1699d12b"></a>187 <a·id="a835aba7ad85bbb269c159c6a1699d12b"·name="a835aba7ad85bbb269c159c6a1699d12b"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#a835aba7ad85bbb269c159c6a1699d12b">&#9670;&#160;</a></span>ZagrebIndex()·<span·class="overload">[1/2]</span></h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a835aba7ad85bbb269c159c6a1699d12b">&#9670;&#160;</a></span>ZagrebIndex()·<span·class="overload">[1/2]</span></h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../dc/dd9/a04247.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dd9/a04247.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordLINK::LinkPartner·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordLINK::LinkPartner·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a74d37a39ffaa95b80779628b9d58561b"·id="r_a74d37a39ffaa95b80779628b9d58561b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a74d37a39ffaa95b80779628b9d58561b">atom_name</a></td></tr>86 <tr·class="memitem:a74d37a39ffaa95b80779628b9d58561b"·id="r_a74d37a39ffaa95b80779628b9d58561b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#a74d37a39ffaa95b80779628b9d58561b">atom_name</a></td></tr>
87 <tr·class="separator:a74d37a39ffaa95b80779628b9d58561b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a74d37a39ffaa95b80779628b9d58561b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a8643e8919c8a48d32d3a510d080cf569"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a8643e8919c8a48d32d3a510d080cf569"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad5521228cb1027ea74c37313ad756ed9"·id="r_ad5521228cb1027ea74c37313ad756ed9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#ad5521228cb1027ea74c37313ad756ed9">residue</a></td></tr>90 <tr·class="memitem:ad5521228cb1027ea74c37313ad756ed9"·id="r_ad5521228cb1027ea74c37313ad756ed9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dcc/a04250.html#ad5521228cb1027ea74c37313ad756ed9">residue</a></td></tr>
91 <tr·class="separator:ad5521228cb1027ea74c37313ad756ed9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ad5521228cb1027ea74c37313ad756ed9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00795">795</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00795">795</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a8643e8919c8a48d32d3a510d080cf569"·name="a8643e8919c8a48d32d3a510d080cf569"></a>97 <a·id="a8643e8919c8a48d32d3a510d080cf569"·name="a8643e8919c8a48d32d3a510d080cf569"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8643e8919c8a48d32d3a510d080cf569">&#9670;&#160;</a></span>alternate_location_indicator</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8643e8919c8a48d32d3a510d080cf569">&#9670;&#160;</a></span>alternate_location_indicator</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordLINK::LinkPartner::alternate_location_indicator</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordLINK::LinkPartner::alternate_location_indicator</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00798">798</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00798">798</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a74d37a39ffaa95b80779628b9d58561b"·name="a74d37a39ffaa95b80779628b9d58561b"></a>110 <a·id="a74d37a39ffaa95b80779628b9d58561b"·name="a74d37a39ffaa95b80779628b9d58561b"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a74d37a39ffaa95b80779628b9d58561b">&#9670;&#160;</a></span>atom_name</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a74d37a39ffaa95b80779628b9d58561b">&#9670;&#160;</a></span>atom_name</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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120 ········<tr>120 ········<tr>
121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordLINK::LinkPartner::atom_name</td>121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordLINK::LinkPartner::atom_name</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ad5521228cb1027ea74c37313ad756ed9"·name="ad5521228cb1027ea74c37313ad756ed9"></a>128 <a·id="ad5521228cb1027ea74c37313ad756ed9"·name="ad5521228cb1027ea74c37313ad756ed9"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5521228cb1027ea74c37313ad756ed9">&#9670;&#160;</a></span>residue</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5521228cb1027ea74c37313ad756ed9">&#9670;&#160;</a></span>residue</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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135 ······<table·class="memname">135 ······<table·class="memname">
136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordLINK::LinkPartner::residue</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordLINK::LinkPartner::residue</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00799">799</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00799">799</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·RSEdge.h·File·Reference</title>8 <title>BALL:·triangulatedSAS.h·File·Reference</title>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">RSEdge.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">triangulatedSAS.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/SASFace.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>90 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>91 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;list&gt;</code><br·/>
 94 <code>#include·&lt;vector&gt;</code><br·/>
86 </div>95 </div>
87 <p><a·href="../../d1/dd5/a01742_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../d1/dd5/a01742_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">97 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/df1/a07118.html">BALL::RSEdge</a></td></tr>100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d35/a07306.html">BALL::TriangulatedSAS</a></td></tr>
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97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
100 Functions</h2></td></tr> 
101 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
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103 <tr·class="separator:ga9cef01da7ca7b8084da90a9cb98d6511"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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107 <hr·class="footer"/><address·class="footer"><small>112 <hr·class="footer"/><address·class="footer"><small>
108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8113 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../d2/d8c/a07279.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d8c/a07279.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SESSingularityCleaner::ProbeIntersection·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SESSingularityCleaner::ProbeIntersection·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/dc6/a01793_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomOverview::OverviewProcessor·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomOverview::OverviewProcessor·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d42/a00575_source.html">BALL/VIEW/DIALOGS/atomOverview.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/d79/a01310_source.html">BALL/VIEW/DIALOGS/atomOverview.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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89 ··<map·id="BALL::VIEW::AtomOverview::OverviewProcessor_map"·name="BALL::VIEW::AtomOverview::OverviewProcessor_map">89 ··<map·id="BALL::VIEW::AtomOverview::OverviewProcessor_map"·name="BALL::VIEW::AtomOverview::OverviewProcessor_map">
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146 <div·class="textblock">146 <div·class="textblock">
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d42/a00575_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d9/d42/a00575_source.html">atomOverview.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">atomOverview.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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263 </div>263 </div>
264 </div>264 </div>
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284 ··</td>284 ··</td>
285 ··<td·class="mlabels-right">285 ··<td·class="mlabels-right">
286 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>286 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
287 ··</tr>287 ··</tr>
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290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d42/a00575_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d9/d42/a00575_source.html">atomOverview.h</a>.</p>290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d79/a01310_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/d79/a01310_source.html">atomOverview.h</a>.</p>
  
291 </div>291 </div>
292 </div>292 </div>
293 <h2·class="groupheader">Member·Data·Documentation</h2>293 <h2·class="groupheader">Member·Data·Documentation</h2>
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82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultController·Class·Reference</div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultController·Class·Reference</div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
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246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">snBModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pickingMode.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dd6/a20380_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d08/a01028_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d1/dd8/a01022_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d1/dd8/a01022_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/d5e/a05103.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d5e/a05103.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::RuleProcessor:</div>84 Inheritance·diagram·for·BALL::RuleProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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475 ··</td>475 ··</td>
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499 ··</td>499 ··</td>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">conjugateGradient.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">fieldLineCreator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d06/a01499_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
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84 <p><a·href="../../d1/dde/a01496_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d1/dde/a01496_source.html">Go·to·the·source·code·of·this·file.</a></p>
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pyColorRGBAVector.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">backboneModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
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82 <code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../d1/de4/a01481_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d1/de4/a01481_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a05558.html">BALL::PyColorRGBAVector</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dd1/a08022.html">BALL::VIEW::AddBackboneModel</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df8/a08026.html">BALL::VIEW::AddBackboneModel::ModelPart</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>102 </table>
97 </div><!--·contents·-->103 </div><!--·contents·-->
98 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
99 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d8/d50/a08219.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d50/a08219.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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135 <tr·class="separator:a724517cf02c72b24659c1ba2ef821b57"><td·class="memSeparator"·colspan="2">&#160;</td></tr>135 <tr·class="separator:a724517cf02c72b24659c1ba2ef821b57"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
136 <tr·class="memitem:af81aacf2fc7d7819040408921dc47605"·id="r_af81aacf2fc7d7819040408921dc47605"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dea/a08222.html#af81aacf2fc7d7819040408921dc47605">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>136 <tr·class="memitem:af81aacf2fc7d7819040408921dc47605"·id="r_af81aacf2fc7d7819040408921dc47605"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dea/a08222.html#af81aacf2fc7d7819040408921dc47605">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
137 <tr·class="separator:af81aacf2fc7d7819040408921dc47605"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:af81aacf2fc7d7819040408921dc47605"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p><a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·class.·The·class·<a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·is·a·container·for·graphical·objects.·Graphical·objects·can·be·drawn·directly·to·the·screen·or·they·can·be·stored·in·a·display·list·for·faster·drawing·afterwards.·This·class·provides·the·means·for·storing·graphical·objects·in·a·own·display·list.·This·class·is·a·wrapper·class·for·the·OpenGL·display·list·mechanims.·It·defines·some·useful·methods·for·easy·creation·of·a·display·list·and·handles·errors·that·can·occur·when·using·display·lists.·See·the·OpenGL·defintion·of·display·lists·for·further·information·concerning·display·lists.·</p>140 <div·class="textblock"><p><a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·class.·The·class·<a·class="el"·href="../../d1/dea/a08222.html">GLDisplayList</a>·is·a·container·for·graphical·objects.·Graphical·objects·can·be·drawn·directly·to·the·screen·or·they·can·be·stored·in·a·display·list·for·faster·drawing·afterwards.·This·class·provides·the·means·for·storing·graphical·objects·in·a·own·display·list.·This·class·is·a·wrapper·class·for·the·OpenGL·display·list·mechanims.·It·defines·some·useful·methods·for·easy·creation·of·a·display·list·and·handles·errors·that·can·occur·when·using·display·lists.·See·the·OpenGL·defintion·of·display·lists·for·further·information·concerning·display·lists.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
142 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>142 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
143 <a·id="a02ca085a40ef2f5fe492cc3cee1f06db"·name="a02ca085a40ef2f5fe492cc3cee1f06db"></a>143 <a·id="a02ca085a40ef2f5fe492cc3cee1f06db"·name="a02ca085a40ef2f5fe492cc3cee1f06db"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a02ca085a40ef2f5fe492cc3cee1f06db">&#9670;&#160;</a></span>GLList</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a02ca085a40ef2f5fe492cc3cee1f06db">&#9670;&#160;</a></span>GLList</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
148 ········<tr>148 ········<tr>
149 ··········<td·class="memname">typedef·unsigned·long·<a·class="el"·href="../../d1/dea/a08222.html#a02ca085a40ef2f5fe492cc3cee1f06db">BALL::VIEW::GLDisplayList::GLList</a></td>149 ··········<td·class="memname">typedef·unsigned·long·<a·class="el"·href="../../d1/dea/a08222.html#a02ca085a40ef2f5fe492cc3cee1f06db">BALL::VIEW::GLDisplayList::GLList</a></td>
150 ········</tr>150 ········</tr>
151 ······</table>151 ······</table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
153 <p>GLList·definition.·A·display·list·is·stored·as·a·number.·For·convienence·a·type·is·declared·that·represents·such·a·display·list.·</p>153 <p>GLList·definition.·A·display·list·is·stored·as·a·number.·For·convienence·a·type·is·declared·that·represents·such·a·display·list.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>157 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
158 <a·id="ade298c4f61a719ea7d8e3dca149e49e1"·name="ade298c4f61a719ea7d8e3dca149e49e1"></a>158 <a·id="ade298c4f61a719ea7d8e3dca149e49e1"·name="ade298c4f61a719ea7d8e3dca149e49e1"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#ade298c4f61a719ea7d8e3dca149e49e1">&#9670;&#160;</a></span>GLDisplayList()</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#ade298c4f61a719ea7d8e3dca149e49e1">&#9670;&#160;</a></span>GLDisplayList()</h2>
  
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373 ··<td·class="mlabels-right">373 ··<td·class="mlabels-right">
374 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>374 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
375 ··</tr>375 ··</tr>
376 </table>376 </table>
377 </div><div·class="memdoc">377 </div><div·class="memdoc">
378 <p>Internal·state·and·consistency·self-validation.·A·glDisplayList·is·valid·if·a·display·list·is·already·defined.·</p>378 <p>Internal·state·and·consistency·self-validation.·A·glDisplayList·is·valid·if·a·display·list·is·already·defined.·</p>
  
379 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>379 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00211">211</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
380 </div>380 </div>
381 </div>381 </div>
382 <a·id="a60a867b1c138b7fe8d61db08678f0e34"·name="a60a867b1c138b7fe8d61db08678f0e34"></a>382 <a·id="a60a867b1c138b7fe8d61db08678f0e34"·name="a60a867b1c138b7fe8d61db08678f0e34"></a>
383 <h2·class="memtitle"><span·class="permalink"><a·href="#a60a867b1c138b7fe8d61db08678f0e34">&#9670;&#160;</a></span>startDefinition()</h2>383 <h2·class="memtitle"><span·class="permalink"><a·href="#a60a867b1c138b7fe8d61db08678f0e34">&#9670;&#160;</a></span>startDefinition()</h2>
  
384 <div·class="memitem">384 <div·class="memitem">
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469 ··<td·class="mlabels-right">469 ··<td·class="mlabels-right">
470 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>470 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
471 ··</tr>471 ··</tr>
472 </table>472 </table>
473 </div><div·class="memdoc">473 </div><div·class="memdoc">
474 <p>Empty·display·list.·A·predefined·value·for·an·empty·display·list·is·defined·as·<b>·DISPLAYLIST_NOT_DEFINED</b>.·</p>474 <p>Empty·display·list.·A·predefined·value·for·an·empty·display·list·is·defined·as·<b>·DISPLAYLIST_NOT_DEFINED</b>.·</p>
  
475 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>475 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
  
476 </div>476 </div>
477 </div>477 </div>
478 </div><!--·contents·-->478 </div><!--·contents·-->
479 <!--·start·footer·part·-->479 <!--·start·footer·part·-->
480 <hr·class="footer"/><address·class="footer"><small>480 <hr·class="footer"/><address·class="footer"><small>
481 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8481 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../dd/dac/a04195.html">List·of·all·members</a>··</div>78 <a·href="../../dd/dac/a04195.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordFTNOTE·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordFTNOTE·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../db/de3/a05387.html">List·of·all·members</a>··</div>78 <a·href="../../db/de3/a05387.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Data·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::LennardJones::Data·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc0/a01652_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
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105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc0/a01652_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d0/dc0/a01652_source.html">lennardJones.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">lennardJones.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
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120 ········<tr>120 ········<tr>
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129 <h2·class="memtitle"><span·class="permalink"><a·href="#adc57128b971ab8d81fbe39aedd649f05">&#9670;&#160;</a></span>values</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#adc57128b971ab8d81fbe39aedd649f05">&#9670;&#160;</a></span>values</h2>
  
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136 ········<tr>136 ········<tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/dba/a06891.html">List·of·all·members</a>··</div>78 <a·href="../../d9/dba/a06891.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TranslationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TranslationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TranslationProcessor:</div>84 Inheritance·diagram·for·BALL::TranslationProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d1/df7/a06894.png"·usemap="#BALL::TranslationProcessor_map"·alt=""/>87 ··<img·src="../../d1/df7/a06894.png"·usemap="#BALL::TranslationProcessor_map"·alt=""/>
88 ··<map·id="BALL::TranslationProcessor_map"·name="BALL::TranslationProcessor_map">88 ··<map·id="BALL::TranslationProcessor_map"·name="BALL::TranslationProcessor_map">
89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p>Translation·processor.·This·processor·executes·a·translation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·translation·may·be·given·in·the·constructor,·or·by·calling·setTranslation.·Applying·the·processor·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·add·the·given·translation·vector·to·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(and·derived·classes).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>137 <div·class="textblock"><p>Translation·processor.·This·processor·executes·a·translation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·translation·may·be·given·in·the·constructor,·or·by·calling·setTranslation.·Applying·the·processor·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·add·the·given·translation·vector·to·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(and·derived·classes).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd5/a01886_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d9/dd5/a01886_source.html">geometricTransformations.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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65 </div>65 </div>
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72 </div>72 </div>
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75 ··<div·class="headertitle"><div·class="title">energy.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">logView.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d6c/a01349_source.html">BALL/ENERGY/atomicContactEnergy.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/ENERGY/coulomb.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/ENERGY/distanceCoulomb.h</a>&gt;</code><br·/>83 <code>#include·&lt;QtWidgets/QTextBrowser&gt;</code><br·/>
 84 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 85 <code>#include·&lt;QtGui/QDragLeaveEvent&gt;</code><br·/>
 86 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
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82 <p><a·href="../../d1/dfa/a01097_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d1/dfa/a01097_source.html">Go·to·the·source·code·of·this·file.</a></p>
 89 <table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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 101 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 103 </table>
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85 <hr·class="footer"/><address·class="footer"><small>106 <hr·class="footer"/><address·class="footer"><small>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#namespaces">Namespaces</a>·&#124;
 77 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">XML3DRenderer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">complex.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;complex&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../d2/d04/a00281_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d04/a00281_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d63/a08326.html">BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane</a></td></tr> 
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
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78 <a·href="../../da/d53/a04111.html">List·of·all·members</a>··</div>78 <a·href="../../da/d53/a04111.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordAUTHOR·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordAUTHOR·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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91 <tr·class="separator:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a4f25bf92ceda9b59cbd3ecdbc58becdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:aacce32cd1b327b215af2809452f4190c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:aacce32cd1b327b215af2809452f4190c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
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106 ········</tr>106 ········</tr>
107 ······</table>107 ······</table>
108 </div><div·class="memdoc">108 </div><div·class="memdoc">
  
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110 </div>110 </div>
111 </div>111 </div>
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124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
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127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00419">419</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00419">419</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
128 </div>128 </div>
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139 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordAUTHOR::record_name</td>139 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordAUTHOR::record_name</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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157 ······</table>157 ······</table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00417">417</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00417">417</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 </div><!--·contents·-->162 </div><!--·contents·-->
163 <!--·start·footer·part·-->163 <!--·start·footer·part·-->
164 <hr·class="footer"/><address·class="footer"><small>164 <hr·class="footer"/><address·class="footer"><small>
165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../da/db0/a03747.html">List·of·all·members</a>··</div>79 <a·href="../../da/db0/a03747.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GenericGene·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GenericGene·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::GenericGene:</div>85 Inheritance·diagram·for·BALL::GenericGene:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d2/d17/a03750.png"·usemap="#BALL::GenericGene_map"·alt=""/>88 ··<img·src="../../d2/d17/a03750.png"·usemap="#BALL::GenericGene_map"·alt=""/>
89 ··<map·id="BALL::GenericGene_map"·name="BALL::GenericGene_map">89 ··<map·id="BALL::GenericGene_map"·name="BALL::GenericGene_map">
90 <area·href="../../d9/dae/a03754.html"·alt="BALL::DoubleGene"·shape="rect"·coords="0,56,142,80"/>90 <area·href="../../d9/dae/a03754.html"·alt="BALL::DoubleGene"·shape="rect"·coords="0,56,142,80"/>
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114 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>115 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
116 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 </table>117 </table>
118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>118 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
119 <div·class="textblock"><p>pure·virtual·base·class·</p>119 <div·class="textblock"><p>pure·virtual·base·class·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">genes.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>121 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
122 <a·id="ae6b0f8059c2dfba33957ba703f8cddb3"·name="ae6b0f8059c2dfba33957ba703f8cddb3"></a>122 <a·id="ae6b0f8059c2dfba33957ba703f8cddb3"·name="ae6b0f8059c2dfba33957ba703f8cddb3"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6b0f8059c2dfba33957ba703f8cddb3">&#9670;&#160;</a></span>GenericGene()</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6b0f8059c2dfba33957ba703f8cddb3">&#9670;&#160;</a></span>GenericGene()</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
125 <div·class="memproto">125 <div·class="memproto">
126 ······<table·class="memname">126 ······<table·class="memname">
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158 ··<td·class="mlabels-right">158 ··<td·class="mlabels-right">
159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
160 ··</tr>160 ··</tr>
161 </table>161 </table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
163 <p>destructor·</p>163 <p>destructor·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">genes.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <h2·class="groupheader">Member·Function·Documentation</h2>167 <h2·class="groupheader">Member·Function·Documentation</h2>
168 <a·id="a74057053e86291fbb1d0577dc58439e8"·name="a74057053e86291fbb1d0577dc58439e8"></a>168 <a·id="a74057053e86291fbb1d0577dc58439e8"·name="a74057053e86291fbb1d0577dc58439e8"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a74057053e86291fbb1d0577dc58439e8">&#9670;&#160;</a></span>clone()</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a74057053e86291fbb1d0577dc58439e8">&#9670;&#160;</a></span>clone()</h2>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d3/de5/a07315.html">List·of·all·members</a>··</div>77 <a·href="../../d3/de5/a07315.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SESTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SESTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a8a3562ad575f83e6b3e0e0910d1e8b45"·id="r_a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a8a3562ad575f83e6b3e0e0910d1e8b45">SESTriangulator</a>·()</td></tr>86 <tr·class="memitem:a8a3562ad575f83e6b3e0e0910d1e8b45"·id="r_a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a8a3562ad575f83e6b3e0e0910d1e8b45">SESTriangulator</a>·()</td></tr>
87 <tr·class="separator:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8a3562ad575f83e6b3e0e0910d1e8b45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aff248f03a47ba75dfe2fc7d6f569c9d5"·id="r_aff248f03a47ba75dfe2fc7d6f569c9d5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#aff248f03a47ba75dfe2fc7d6f569c9d5">SESTriangulator</a>·(<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·*tses)</td></tr>88 <tr·class="memitem:aff248f03a47ba75dfe2fc7d6f569c9d5"·id="r_aff248f03a47ba75dfe2fc7d6f569c9d5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#aff248f03a47ba75dfe2fc7d6f569c9d5">SESTriangulator</a>·(<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·*tses)</td></tr>
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105 <tr·class="memitem:a1076c0afc34c44cb411b0984f7b18dd4"·id="r_a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a1076c0afc34c44cb411b0984f7b18dd4">run</a>·()</td></tr>105 <tr·class="memitem:a1076c0afc34c44cb411b0984f7b18dd4"·id="r_a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html#a1076c0afc34c44cb411b0984f7b18dd4">run</a>·()</td></tr>
106 <tr·class="separator:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a1076c0afc34c44cb411b0984f7b18dd4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d2/d19/a07318.html">SESTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>109 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d2/d19/a07318.html">SESTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
110 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>110 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a8a3562ad575f83e6b3e0e0910d1e8b45"·name="a8a3562ad575f83e6b3e0e0910d1e8b45"></a>113 <a·id="a8a3562ad575f83e6b3e0e0910d1e8b45"·name="a8a3562ad575f83e6b3e0e0910d1e8b45"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3562ad575f83e6b3e0e0910d1e8b45">&#9670;&#160;</a></span>SESTriangulator()·<span·class="overload">[1/2]</span></h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a3562ad575f83e6b3e0e0910d1e8b45">&#9670;&#160;</a></span>SESTriangulator()·<span·class="overload">[1/2]</span></h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 ······<table·class="memname">117 ······<table·class="memname">
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221 ··</td>221 ··</td>
222 ··<td·class="mlabels-right">222 ··<td·class="mlabels-right">
223 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>223 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
224 ··</tr>224 ··</tr>
225 </table>225 </table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00346">346</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00346">346</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <a·id="a655546dcf0ab6870a5cfe129f885b1e0"·name="a655546dcf0ab6870a5cfe129f885b1e0"></a>230 <a·id="a655546dcf0ab6870a5cfe129f885b1e0"·name="a655546dcf0ab6870a5cfe129f885b1e0"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#a655546dcf0ab6870a5cfe129f885b1e0">&#9670;&#160;</a></span>point_</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#a655546dcf0ab6870a5cfe129f885b1e0">&#9670;&#160;</a></span>point_</h2>
  
232 <div·class="memitem">232 <div·class="memitem">
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245 ··</td>245 ··</td>
246 ··<td·class="mlabels-right">246 ··<td·class="mlabels-right">
247 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>247 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
248 ··</tr>248 ··</tr>
249 </table>249 </table>
250 </div><div·class="memdoc">250 </div><div·class="memdoc">
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00345">345</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00345">345</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
252 </div>252 </div>
253 </div>253 </div>
254 <a·id="a8e7cba28cf78c76e73e16be9abdae40d"·name="a8e7cba28cf78c76e73e16be9abdae40d"></a>254 <a·id="a8e7cba28cf78c76e73e16be9abdae40d"·name="a8e7cba28cf78c76e73e16be9abdae40d"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e7cba28cf78c76e73e16be9abdae40d">&#9670;&#160;</a></span>sqrt_density_</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e7cba28cf78c76e73e16be9abdae40d">&#9670;&#160;</a></span>sqrt_density_</h2>
  
256 <div·class="memitem">256 <div·class="memitem">
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269 ··</td>269 ··</td>
270 ··<td·class="mlabels-right">270 ··<td·class="mlabels-right">
271 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>271 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
272 ··</tr>272 ··</tr>
273 </table>273 </table>
274 </div><div·class="memdoc">274 </div><div·class="memdoc">
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00348">348</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00348">348</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
276 </div>276 </div>
277 </div>277 </div>
278 <a·id="aac91e74ad2eb3519845a0afa8be63ad2"·name="aac91e74ad2eb3519845a0afa8be63ad2"></a>278 <a·id="aac91e74ad2eb3519845a0afa8be63ad2"·name="aac91e74ad2eb3519845a0afa8be63ad2"></a>
279 <h2·class="memtitle"><span·class="permalink"><a·href="#aac91e74ad2eb3519845a0afa8be63ad2">&#9670;&#160;</a></span>template_spheres_</h2>279 <h2·class="memtitle"><span·class="permalink"><a·href="#aac91e74ad2eb3519845a0afa8be63ad2">&#9670;&#160;</a></span>template_spheres_</h2>
  
280 <div·class="memitem">280 <div·class="memitem">
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293 ··</td>293 ··</td>
294 ··<td·class="mlabels-right">294 ··<td·class="mlabels-right">
295 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>295 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
296 ··</tr>296 ··</tr>
297 </table>297 </table>
298 </div><div·class="memdoc">298 </div><div·class="memdoc">
  
299 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>299 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
300 </div>300 </div>
301 </div>301 </div>
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78 ··<div·class="headertitle"><div·class="title">molecularInformation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">raytraceableGrid.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../d2/d1f/a01361_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d1f/a01361_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">triangleEdge.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">triangle.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
85 </div>85 </div>
86 <p><a·href="../../d2/d20/a01790_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d2/d20/a01790_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">87 <table·class="memberdecls">
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99 Functions</h2></td></tr>99 Functions</h2></td></tr>
100 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>100 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
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103 </table>103 </table>
104 </div><!--·contents·-->104 </div><!--·contents·-->
105 <!--·start·footer·part·-->105 <!--·start·footer·part·-->
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
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78 ··<div·class="headertitle"><div·class="title">pyInterpreter.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">lineModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
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83 <code>#include·&lt;<a·class="el"·href="../../da/df7/a01457_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;memory&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QList&gt;</code><br·/> 
87 <code>#include·&lt;QtCore/QPair&gt;</code><br·/> 
88 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
89 </div>82 </div>
90 <p><a·href="../../d2/d21/a01484_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d21/a01484_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">84 <table·class="memberdecls">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d0/de6/a03807.html">List·of·all·members</a>··</div>78 <a·href="../../d0/de6/a03807.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::IMGDock·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::IMGDock·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/db6/a01172_source.html">BALL/DOCKING/IMGDOCK/IMGDock.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d82/a01601_source.html">BALL/DOCKING/IMGDOCK/IMGDock.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::IMGDock:</div>84 Inheritance·diagram·for·BALL::IMGDock:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d29/a03810.png"·usemap="#BALL::IMGDock_map"·alt=""/>87 ··<img·src="../../d2/d29/a03810.png"·usemap="#BALL::IMGDock_map"·alt=""/>
88 ··<map·id="BALL::IMGDock_map"·name="BALL::IMGDock_map">88 ··<map·id="BALL::IMGDock_map"·name="BALL::IMGDock_map">
89 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,148,24"/>89 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,148,24"/>
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269 </table>269 </table>
270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>270 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
271 <div·class="textblock"><p>Iterative·Multi-Greedy·Docking·<br··/>271 <div·class="textblock"><p>Iterative·Multi-Greedy·Docking·<br··/>
272 ·</p>272 ·</p>
  
273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db6/a01172_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/db6/a01172_source.html">IMGDock.h</a>.</p>273 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d82/a01601_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d7/d82/a01601_source.html">IMGDock.h</a>.</p>
274 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>274 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
275 <a·id="ad1f285afa3e627feae1fed12c4fd35fe"·name="ad1f285afa3e627feae1fed12c4fd35fe"></a>275 <a·id="ad1f285afa3e627feae1fed12c4fd35fe"·name="ad1f285afa3e627feae1fed12c4fd35fe"></a>
276 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f285afa3e627feae1fed12c4fd35fe">&#9670;&#160;</a></span>IMGDock()·<span·class="overload">[1/3]</span></h2>276 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1f285afa3e627feae1fed12c4fd35fe">&#9670;&#160;</a></span>IMGDock()·<span·class="overload">[1/3]</span></h2>
  
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756 ··········<td·class="memname">int·BALL::IMGDock::rec</td>756 ··········<td·class="memname">int·BALL::IMGDock::rec</td>
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758 ······</table>758 ······</table>
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760 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db6/a01172_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d6/db6/a01172_source.html">IMGDock.h</a>.</p>760 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d82/a01601_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d7/d82/a01601_source.html">IMGDock.h</a>.</p>
  
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8 <title>BALL:·smilesParser.h·File·Reference</title>8 <title>BALL:·radialDistributionFunction.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
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79 ··<div·class="headertitle"><div·class="title">smilesParser.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">radialDistributionFunction.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../d2/d31/a01811_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d31/a01811_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d01/a07254.html">BALL::SmilesParser::SPBond</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d00/a07258.html">BALL::SmilesParser::SPAtom</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html">BALL::SmilesParser::State</a></td></tr> 
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101 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·diffGridBasedScoring.h·File·Reference</title>8 <title>BALL:·PB.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">diffGridBasedScoring.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">PB.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d2/d31/a02087_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d31/a02087_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d2f/a06122.html">BALL::DiffGridBasedScoring</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d1b/a06326.html">BALL::PB</a></td></tr>
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93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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82 <a·href="../../dc/d19/a07487.html">List·of·all·members</a>··</div>82 <a·href="../../dc/d19/a07487.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RegularData3DController·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RegularData3DController·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::RegularData3DController:</div>88 Inheritance·diagram·for·BALL::VIEW::RegularData3DController:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d2/d32/a07490.png"·usemap="#BALL::VIEW::RegularData3DController_map"·alt=""/>91 ··<img·src="../../d2/d32/a07490.png"·usemap="#BALL::VIEW::RegularData3DController_map"·alt=""/>
92 ··<map·id="BALL::VIEW::RegularData3DController_map"·name="BALL::VIEW::RegularData3DController_map">92 ··<map·id="BALL::VIEW::RegularData3DController_map"·name="BALL::VIEW::RegularData3DController_map">
93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="119,56,347,80"/>93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="119,56,347,80"/>
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270 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>270 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
271 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>271 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
272 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>272 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
273 </table>273 </table>
274 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>274 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
275 <div·class="textblock"><p>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>275 <div·class="textblock"><p>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>
  
276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
277 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>277 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
278 <a·id="a85053af1f8e421c5257f2e249301be31"·name="a85053af1f8e421c5257f2e249301be31"></a>278 <a·id="a85053af1f8e421c5257f2e249301be31"·name="a85053af1f8e421c5257f2e249301be31"></a>
279 <h2·class="memtitle"><span·class="permalink"><a·href="#a85053af1f8e421c5257f2e249301be31">&#9670;&#160;</a></span>RegularData3DController()·<span·class="overload">[1/2]</span></h2>279 <h2·class="memtitle"><span·class="permalink"><a·href="#a85053af1f8e421c5257f2e249301be31">&#9670;&#160;</a></span>RegularData3DController()·<span·class="overload">[1/2]</span></h2>
  
280 <div·class="memitem">280 <div·class="memitem">
281 <div·class="memproto">281 <div·class="memproto">
282 ······<table·class="memname">282 ······<table·class="memname">
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850 ··</td>850 ··</td>
851 ··<td·class="mlabels-right">851 ··<td·class="mlabels-right">
852 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>852 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
853 ··</tr>853 ··</tr>
854 </table>854 </table>
855 </div><div·class="memdoc">855 </div><div·class="memdoc">
  
856 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>856 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
857 </div>857 </div>
858 </div>858 </div>
859 <a·id="a43e73f0eedbd0f699463cfc6133c5b52"·name="a43e73f0eedbd0f699463cfc6133c5b52"></a>859 <a·id="a43e73f0eedbd0f699463cfc6133c5b52"·name="a43e73f0eedbd0f699463cfc6133c5b52"></a>
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861 <div·class="memitem">861 <div·class="memitem">
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874 ··</td>874 ··</td>
875 ··<td·class="mlabels-right">875 ··<td·class="mlabels-right">
876 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>876 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
877 ··</tr>877 ··</tr>
878 </table>878 </table>
879 </div><div·class="memdoc">879 </div><div·class="memdoc">
  
880 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>880 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
881 </div>881 </div>
882 </div>882 </div>
883 <a·id="a4601a1e8cc85cdd26356fb20a40d388c"·name="a4601a1e8cc85cdd26356fb20a40d388c"></a>883 <a·id="a4601a1e8cc85cdd26356fb20a40d388c"·name="a4601a1e8cc85cdd26356fb20a40d388c"></a>
884 <h2·class="memtitle"><span·class="permalink"><a·href="#a4601a1e8cc85cdd26356fb20a40d388c">&#9670;&#160;</a></span>type</h2>884 <h2·class="memtitle"><span·class="permalink"><a·href="#a4601a1e8cc85cdd26356fb20a40d388c">&#9670;&#160;</a></span>type</h2>
  
885 <div·class="memitem">885 <div·class="memitem">
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898 ··</td>898 ··</td>
899 ··<td·class="mlabels-right">899 ··<td·class="mlabels-right">
900 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>900 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
901 ··</tr>901 ··</tr>
902 </table>902 </table>
903 </div><div·class="memdoc">903 </div><div·class="memdoc">
  
904 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>904 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
905 </div>905 </div>
906 </div>906 </div>
907 </div><!--·contents·-->907 </div><!--·contents·-->
908 <!--·start·footer·part·-->908 <!--·start·footer·part·-->
909 <hr·class="footer"/><address·class="footer"><small>909 <hr·class="footer"/><address·class="footer"><small>
910 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8910 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d1/d2f/a03767.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d2f/a03767.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GenericParameter·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GenericParameter·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::GenericParameter:</div>85 Inheritance·diagram·for·BALL::GenericParameter:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d2/d33/a03770.png"·usemap="#BALL::GenericParameter_map"·alt=""/>88 ··<img·src="../../d2/d33/a03770.png"·usemap="#BALL::GenericParameter_map"·alt=""/>
89 ··<map·id="BALL::GenericParameter_map"·name="BALL::GenericParameter_map">89 ··<map·id="BALL::GenericParameter_map"·name="BALL::GenericParameter_map">
90 <area·href="../../d7/d82/a03774.html"·alt="BALL::DoubleParameter"·shape="rect"·coords="0,56,170,80"/>90 <area·href="../../d7/d82/a03774.html"·alt="BALL::DoubleParameter"·shape="rect"·coords="0,56,170,80"/>
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109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
110 Protected·Attributes</h2></td></tr>110 Protected·Attributes</h2></td></tr>
111 <tr·class="memitem:a6723a926ebe945181678106eedb24317"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>111 <tr·class="memitem:a6723a926ebe945181678106eedb24317"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
112 <tr·class="separator:a6723a926ebe945181678106eedb24317"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a6723a926ebe945181678106eedb24317"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock">115 <div·class="textblock">
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
118 <a·id="a6a82679299fda3000b16e4ff2f0c41e8"·name="a6a82679299fda3000b16e4ff2f0c41e8"></a>118 <a·id="a6a82679299fda3000b16e4ff2f0c41e8"·name="a6a82679299fda3000b16e4ff2f0c41e8"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a82679299fda3000b16e4ff2f0c41e8">&#9670;&#160;</a></span>GenericParameter()·<span·class="overload">[1/2]</span></h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a82679299fda3000b16e4ff2f0c41e8">&#9670;&#160;</a></span>GenericParameter()·<span·class="overload">[1/2]</span></h2>
  
120 <div·class="memitem">120 <div·class="memitem">
121 <div·class="memproto">121 <div·class="memproto">
122 ······<table·class="memname">122 ······<table·class="memname">
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242 ··<td·class="mlabels-right">242 ··<td·class="mlabels-right">
243 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>243 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
244 ··</tr>244 ··</tr>
245 </table>245 </table>
246 </div><div·class="memdoc">246 </div><div·class="memdoc">
247 <p>parameter·name·</p>247 <p>parameter·name·</p>
  
248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
249 </div>249 </div>
250 </div>250 </div>
251 </div><!--·contents·-->251 </div><!--·contents·-->
252 <!--·start·footer·part·-->252 <!--·start·footer·part·-->
253 <hr·class="footer"/><address·class="footer"><small>253 <hr·class="footer"/><address·class="footer"><small>
254 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8254 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d47/a04651.html">List·of·all·members</a>··</div>78 <a·href="../../da/d47/a04651.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AtomNamePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AtomNamePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AtomNamePredicate:</div>84 Inheritance·diagram·for·BALL::AtomNamePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d33/a04654.png"·usemap="#BALL::AtomNamePredicate_map"·alt=""/>87 ··<img·src="../../d2/d33/a04654.png"·usemap="#BALL::AtomNamePredicate_map"·alt=""/>
88 ··<map·id="BALL::AtomNamePredicate_map"·name="BALL::AtomNamePredicate_map">88 ··<map·id="BALL::AtomNamePredicate_map"·name="BALL::AtomNamePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
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129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·atom·names.·Returns·<code>true</code>,·if·the·name·of·the·atom·matches·the·argument·of·this·predicate.·This·is·an·exact·match.·</p>131 <div·class="textblock"><p>Predicate·for·matching·atom·names.·Returns·<code>true</code>,·if·the·name·of·the·atom·matches·the·argument·of·this·predicate.·This·is·an·exact·match.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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135 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee920d9c7bcb39e682db3b47145a1e2">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#aaee920d9c7bcb39e682db3b47145a1e2">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
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8 <title>BALL:·nonpolarSolvation.h·File·Reference</title>8 <title>BALL:·linearBaseFunction.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">nonpolarSolvation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">linearBaseFunction.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/de0/a00050_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d6/d5b/a00026_source.html">BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h</a>&gt;</code><br·/> 
86 </div>82 </div>
87 <p><a·href="../../d2/d3d/a01982_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d3d/a01982_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">84 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>86 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/ded/a06314.html">BALL::NonpolarSolvation</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d30/a06150.html">BALL::LinearBaseFunction</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d84/a06318.html">BALL::NonpolarSolvation::Option</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d62/a06322.html">BALL::NonpolarSolvation::Default</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
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99 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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78 <a·href="../../db/d58/a05143.html">List·of·all·members</a>··</div>78 <a·href="../../db/d58/a05143.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d8e/a01523_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d25/a00182_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::MicroCanonicalMD:</div>84 Inheritance·diagram·for·BALL::MicroCanonicalMD:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d3d/a05146.png"·usemap="#BALL::MicroCanonicalMD_map"·alt=""/>87 ··<img·src="../../d2/d3d/a05146.png"·usemap="#BALL::MicroCanonicalMD_map"·alt=""/>
88 ··<map·id="BALL::MicroCanonicalMD_map"·name="BALL::MicroCanonicalMD_map">88 ··<map·id="BALL::MicroCanonicalMD_map"·name="BALL::MicroCanonicalMD_map">
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247 </table>247 </table>
248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
249 <div·class="textblock"><p>Microcanonical·MD:·A·class·for·doing·molecular·dynamics·simulations·<br··/>249 <div·class="textblock"><p>Microcanonical·MD:·A·class·for·doing·molecular·dynamics·simulations·<br··/>
250 ·according·to·the·principle·of·a·microcanonical·ensemble·(NVE),·i.e.,·the·total·energy·of·the·system·is·kept·constant.·Numerical·integration·for·new·atom·positions·is·done·via·the·Velocity·Verlet·method.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>250 ·according·to·the·principle·of·a·microcanonical·ensemble·(NVE),·i.e.,·the·total·energy·of·the·system·is·kept·constant.·Numerical·integration·for·new·atom·positions·is·done·via·the·Velocity·Verlet·method.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d8e/a01523_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../db/d8e/a01523_source.html">microCanonicalMD.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>252 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
253 <a·id="afcb53655b02ca7134cfe381c4b9ae569"·name="afcb53655b02ca7134cfe381c4b9ae569"></a>253 <a·id="afcb53655b02ca7134cfe381c4b9ae569"·name="afcb53655b02ca7134cfe381c4b9ae569"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#afcb53655b02ca7134cfe381c4b9ae569">&#9670;&#160;</a></span>MicroCanonicalMD()·<span·class="overload">[1/5]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#afcb53655b02ca7134cfe381c4b9ae569">&#9670;&#160;</a></span>MicroCanonicalMD()·<span·class="overload">[1/5]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
256 <div·class="memproto">256 <div·class="memproto">
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642 ··</td>642 ··</td>
643 ··<td·class="mlabels-right">643 ··<td·class="mlabels-right">
644 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>644 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
645 ··</tr>645 ··</tr>
646 </table>646 </table>
647 </div><div·class="memdoc">647 </div><div·class="memdoc">
  
648 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d8e/a01523_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../db/d8e/a01523_source.html">microCanonicalMD.h</a>.</p>648 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
  
649 </div>649 </div>
650 </div>650 </div>
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652 <!--·start·footer·part·-->652 <!--·start·footer·part·-->
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80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
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82 </div>89 </div>
83 <p><a·href="../../d2/d41/a01037_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d2/d41/a01037_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 </div><!--header-->79 </div><!--header-->
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81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>
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87 <p><a·href="../../d2/d41/a01493_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/d41/a01493_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 ··<div·class="headertitle"><div·class="title">BALL::FermiBaseFunction·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FermiBaseFunction·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d8a/a02063_source.html">BALL/SCORING/COMMON/fermiBaseFunction.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/da1/a01988_source.html">BALL/SCORING/COMMON/fermiBaseFunction.h</a>&gt;</code></p>
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130 <div·class="textblock"><p>Sigmoidal·base·function·</p>130 <div·class="textblock"><p>Sigmoidal·base·function·</p>
  
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pyIndexList.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">tilingRenderer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>
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84 <p><a·href="../../d2/d48/a01472_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d48/a01472_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">shiftModel2D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">shortcutRegistry.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
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86 <p><a·href="../../d2/d49/a01067_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d2/d49/a01067_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">88 <table·class="memberdecls">
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98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
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104 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
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86 <p><a·href="../../d2/d4c/a01307_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/d4c/a01307_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">EFShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">gridColorWidget.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_gridColorWidget.h&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d2/d4d/a01079_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d4d/a01079_source.html">Go·to·the·source·code·of·this·file.</a></p>
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70 ··<ul>70 ··<ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">scoringFunction.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">advElectrostatic.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
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89 <code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d6/d5b/a02078_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>
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92 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code><br·/> 
93 </div>82 </div>
94 <p><a·href="../../d2/d50/a02081_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d50/a02081_source.html">Go·to·the·source·code·of·this·file.</a></p>
95 <table·class="memberdecls">84 <table·class="memberdecls">
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114 <p>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>114 <p>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>
  
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70 ··<ul>70 ··<ul>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">expressionParser.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">processor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/db2/a00866_source.html">BALL/KERNEL/expressionTree.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dd/db2/a00866_source.html">BALL/CONCEPT/baseFunctor.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../d2/d5e/a00860_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/d5e/a00860_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4c/a04506.html">BALL::ExpressionParser</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d93/a03330.html">BALL::Processor</a></td></tr>
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96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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78 <a·href="../../df/dd4/a08323.html">List·of·all·members</a>··</div>78 <a·href="../../df/dd4/a08323.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d04/a00281_source.html">BALL/VIEW/RENDERING/RENDERERS/XML3DRenderer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d42/a01463_source.html">BALL/VIEW/RENDERING/RENDERERS/XML3DRenderer.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d04/a00281_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d2/d04/a00281_source.html">XML3DRenderer.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">XML3DRenderer.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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96 <h2·class="memtitle"><span·class="permalink"><a·href="#a755c2cf3cbcd3a3aa7867153d0756f9b">&#9670;&#160;</a></span>normal</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a755c2cf3cbcd3a3aa7867153d0756f9b">&#9670;&#160;</a></span>normal</h2>
  
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101 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::normal</td>101 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::normal</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d04/a00281_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d2/d04/a00281_source.html">XML3DRenderer.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d42/a01463_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d7/d42/a01463_source.html">XML3DRenderer.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="ad687418ee914ee926748489b3d25f2d8"·name="ad687418ee914ee926748489b3d25f2d8"></a>108 <a·id="ad687418ee914ee926748489b3d25f2d8"·name="ad687418ee914ee926748489b3d25f2d8"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ad687418ee914ee926748489b3d25f2d8">&#9670;&#160;</a></span>translation</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ad687418ee914ee926748489b3d25f2d8">&#9670;&#160;</a></span>translation</h2>
  
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119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::translation</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::XML3DRenderer::XML3DRendererClippingPlane::translation</td>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorHSV·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorHSV·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/dce/a02200.html">Different·color·classes</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/VIEW/DATATYPE/colorHSV.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/VIEW/DATATYPE/colorHSV.h</a>&gt;</code></p>
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185 <tr·class="separator:a51b2fd599c3e17499d5396e14b5f2197"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a51b2fd599c3e17499d5396e14b5f2197"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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187 <tr·class="separator:a86679a24a5e548a6f7f8cc5f132a4ad8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>187 <tr·class="separator:a86679a24a5e548a6f7f8cc5f132a4ad8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
188 </table>188 </table>
189 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>189 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
190 <div·class="textblock"><p><a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·class.·An·instance·of·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·represents·a·color·consisting·of·the·components·hue,·saturation·and·value.·The·components·staturation·and·values·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit·</a>·'s.·The·component·hue·is·of·class·type·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue·</a>·.·See·description·of·these·classes·for·further·informations·concerning·type·conversions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>190 <div·class="textblock"><p><a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·class.·An·instance·of·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>·represents·a·color·consisting·of·the·components·hue,·saturation·and·value.·The·components·staturation·and·values·are·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit·</a>·'s.·The·component·hue·is·of·class·type·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue·</a>·.·See·description·of·these·classes·for·further·informations·concerning·type·conversions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">colorHSV.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">colorHSV.h</a>.</p>
192 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>192 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
193 <a·id="a562bf8a4cb360ad004f8163f103dcad0"·name="a562bf8a4cb360ad004f8163f103dcad0"></a>193 <a·id="a562bf8a4cb360ad004f8163f103dcad0"·name="a562bf8a4cb360ad004f8163f103dcad0"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#a562bf8a4cb360ad004f8163f103dcad0">&#9670;&#160;</a></span>ColorHSV()·<span·class="overload">[1/6]</span></h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a562bf8a4cb360ad004f8163f103dcad0">&#9670;&#160;</a></span>ColorHSV()·<span·class="overload">[1/6]</span></h2>
  
195 <div·class="memitem">195 <div·class="memitem">
196 <div·class="memproto">196 <div·class="memproto">
197 ······<table·class="memname">197 ······<table·class="memname">
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1153 ··</td>1153 ··</td>
1154 ··<td·class="mlabels-right">1154 ··<td·class="mlabels-right">
1155 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>1155 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
1156 ··</tr>1156 ··</tr>
1157 </table>1157 </table>
1158 </div><div·class="memdoc">1158 </div><div·class="memdoc">
  
1159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">colorHSV.h</a>.</p>1159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">colorHSV.h</a>.</p>
  
1160 </div>1160 </div>
1161 </div>1161 </div>
1162 <a·id="a86679a24a5e548a6f7f8cc5f132a4ad8"·name="a86679a24a5e548a6f7f8cc5f132a4ad8"></a>1162 <a·id="a86679a24a5e548a6f7f8cc5f132a4ad8"·name="a86679a24a5e548a6f7f8cc5f132a4ad8"></a>
1163 <h2·class="memtitle"><span·class="permalink"><a·href="#a86679a24a5e548a6f7f8cc5f132a4ad8">&#9670;&#160;</a></span>operator&lt;&lt;</h2>1163 <h2·class="memtitle"><span·class="permalink"><a·href="#a86679a24a5e548a6f7f8cc5f132a4ad8">&#9670;&#160;</a></span>operator&lt;&lt;</h2>
  
1164 <div·class="memitem">1164 <div·class="memitem">
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8 <title>BALL:·PDBInfo.h·File·Reference</title>8 <title>BALL:·dialogs.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">PDBInfo.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">dialogs.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/> 
82 <code>#include·&lt;stdexcept&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d2/d4c/a01307_source.html">BALL/FORMAT/PDBRecords.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
86 </div> 
87 <p><a·href="../../d2/d68/a01295_source.html">Go·to·the·source·code·of·this·file.</a></p> 
88 <table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
90 Classes</h2></td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d48/a04414.html">BALL::PDBInfo</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 </table><table·class="memberdecls"> 
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
95 Namespaces</h2></td></tr> 
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table> 
99 </div><!--·contents·-->74 </div><!--·contents·-->
100 <!--·start·footer·part·-->75 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>76 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d6/de9/a05083.html">List·of·all·members</a>··</div>78 <a·href="../../d6/de9/a05083.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PeriodicBoundary·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PeriodicBoundary·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d03/a02172.html">General·Force·Field·Classes.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d78/a05094.html">Default</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d78/a05094.html">Default</a></td></tr>
87 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d78/a05094.html"·title="Default·values.">Default</a>·values.··<a·href="../../dc/d78/a05094.html#details">More...</a><br·/></td></tr>87 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d78/a05094.html"·title="Default·values.">Default</a>·values.··<a·href="../../dc/d78/a05094.html#details">More...</a><br·/></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbd/a05090.html">Option</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbd/a05090.html">Option</a></td></tr>
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144 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Variables</h2></td></tr>144 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Variables</h2></td></tr>
145 <tr·class="memitem:a4dfa835ba3af509f696f6cd8001df03a"·id="r_a4dfa835ba3af509f696f6cd8001df03a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d69/a05086.html#a4dfa835ba3af509f696f6cd8001df03a">options</a></td></tr>145 <tr·class="memitem:a4dfa835ba3af509f696f6cd8001df03a"·id="r_a4dfa835ba3af509f696f6cd8001df03a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d69/a05086.html#a4dfa835ba3af509f696f6cd8001df03a">options</a></td></tr>
146 <tr·class="separator:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>146 <tr·class="separator:a4dfa835ba3af509f696f6cd8001df03a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
147 </table>147 </table>
148 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>148 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
149 <div·class="textblock"><p>Periodic·boundary·class·for·force·field·simulations.·Molecular·Mechanics:·class·representing·periodic·boundary·conditions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>149 <div·class="textblock"><p>Periodic·boundary·class·for·force·field·simulations.·Molecular·Mechanics:·class·representing·periodic·boundary·conditions.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">periodicBoundary.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
151 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>151 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
152 <a·id="aeca76e90a2a9ec34d7ff2af6741ba8f9"·name="aeca76e90a2a9ec34d7ff2af6741ba8f9"></a>152 <a·id="aeca76e90a2a9ec34d7ff2af6741ba8f9"·name="aeca76e90a2a9ec34d7ff2af6741ba8f9"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#aeca76e90a2a9ec34d7ff2af6741ba8f9">&#9670;&#160;</a></span>AtomIndexArray</h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#aeca76e90a2a9ec34d7ff2af6741ba8f9">&#9670;&#160;</a></span>AtomIndexArray</h2>
  
154 <div·class="memitem">154 <div·class="memitem">
155 <div·class="memproto">155 <div·class="memproto">
156 ······<table·class="memname">156 ······<table·class="memname">
157 ········<tr>157 ········<tr>
158 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">AtomIndexPair</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#aeca76e90a2a9ec34d7ff2af6741ba8f9">BALL::PeriodicBoundary::AtomIndexArray</a></td>158 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">AtomIndexPair</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#aeca76e90a2a9ec34d7ff2af6741ba8f9">BALL::PeriodicBoundary::AtomIndexArray</a></td>
159 ········</tr>159 ········</tr>
160 ······</table>160 ······</table>
161 </div><div·class="memdoc">161 </div><div·class="memdoc">
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">periodicBoundary.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 <a·id="ad0c8274f22b12218df4cadf65deb7f1a"·name="ad0c8274f22b12218df4cadf65deb7f1a"></a>165 <a·id="ad0c8274f22b12218df4cadf65deb7f1a"·name="ad0c8274f22b12218df4cadf65deb7f1a"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0c8274f22b12218df4cadf65deb7f1a">&#9670;&#160;</a></span>AtomIndexPair</h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0c8274f22b12218df4cadf65deb7f1a">&#9670;&#160;</a></span>AtomIndexPair</h2>
  
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175 ········<tr>175 ········<tr>
176 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">BALL::PeriodicBoundary::AtomIndexPair</a></td>176 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d2/d69/a05086.html#ad0c8274f22b12218df4cadf65deb7f1a">BALL::PeriodicBoundary::AtomIndexPair</a></td>
177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">periodicBoundary.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="a0877b823e050ad8e9d3ffbb0ef92253c"·name="a0877b823e050ad8e9d3ffbb0ef92253c"></a>184 <a·id="a0877b823e050ad8e9d3ffbb0ef92253c"·name="a0877b823e050ad8e9d3ffbb0ef92253c"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a0877b823e050ad8e9d3ffbb0ef92253c">&#9670;&#160;</a></span>PeriodicBoundary()·<span·class="overload">[1/3]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a0877b823e050ad8e9d3ffbb0ef92253c">&#9670;&#160;</a></span>PeriodicBoundary()·<span·class="overload">[1/3]</span></h2>
  
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511 ········<tr>511 ········<tr>
512 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>*·BALL::PeriodicBoundary::options</td>512 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>*·BALL::PeriodicBoundary::options</td>
513 ········</tr>513 ········</tr>
514 ······</table>514 ······</table>
515 </div><div·class="memdoc">515 </div><div·class="memdoc">
516 <p>Periodic·Boundary·options.·This·is·usually·a·pointer·to·the·options·of·the·force·field·the·<a·class="el"·href="../../d2/d69/a05086.html">PeriodicBoundary</a>·object·is·contained·in.·</p>516 <p>Periodic·Boundary·options.·This·is·usually·a·pointer·to·the·options·of·the·force·field·the·<a·class="el"·href="../../d2/d69/a05086.html">PeriodicBoundary</a>·object·is·contained·in.·</p>
  
517 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a01649_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../dc/d87/a01649_source.html">periodicBoundary.h</a>.</p>517 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a00083_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../d2/d1f/a00083_source.html">periodicBoundary.h</a>.</p>
  
518 </div>518 </div>
519 </div>519 </div>
520 </div><!--·contents·-->520 </div><!--·contents·-->
521 <!--·start·footer·part·-->521 <!--·start·footer·part·-->
522 <hr·class="footer"/><address·class="footer"><small>522 <hr·class="footer"/><address·class="footer"><small>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d9d/a04751.html">List·of·all·members</a>··</div>78 <a·href="../../da/d9d/a04751.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ChargePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ChargePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ChargePredicate:</div>84 Inheritance·diagram·for·BALL::ChargePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d6c/a04754.png"·usemap="#BALL::ChargePredicate_map"·alt=""/>87 ··<img·src="../../d2/d6c/a04754.png"·usemap="#BALL::ChargePredicate_map"·alt=""/>
88 ··<map·id="BALL::ChargePredicate_map"·name="BALL::ChargePredicate_map">88 ··<map·id="BALL::ChargePredicate_map"·name="BALL::ChargePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Charge·predicate·</p>131 <div·class="textblock"><p>Charge·predicate·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00775">775</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a42f4669b0823bff8106bf24e0ae952e3"·name="a42f4669b0823bff8106bf24e0ae952e3"></a>134 <a·id="a42f4669b0823bff8106bf24e0ae952e3"·name="a42f4669b0823bff8106bf24e0ae952e3"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a42f4669b0823bff8106bf24e0ae952e3">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a42f4669b0823bff8106bf24e0ae952e3">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../dd/d49/a05839.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d49/a05839.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionValidation·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionValidation·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d13/a00377_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::RegressionValidation:</div>84 Inheritance·diagram·for·BALL::QSAR::RegressionValidation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d70/a05842.png"·usemap="#BALL::QSAR::RegressionValidation_map"·alt=""/>87 ··<img·src="../../d2/d70/a05842.png"·usemap="#BALL::QSAR::RegressionValidation_map"·alt=""/>
88 ··<map·id="BALL::QSAR::RegressionValidation_map"·name="BALL::QSAR::RegressionValidation_map">88 ··<map·id="BALL::QSAR::RegressionValidation_map"·name="BALL::QSAR::RegressionValidation_map">
89 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,209,24"/>89 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,209,24"/>
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178 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"·id="r_acb39d3a5d33ea90657412bde99a8335c"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>179 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"·id="r_acb39d3a5d33ea90657412bde99a8335c"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>
180 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>180 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
181 </table>181 </table>
182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
183 <div·class="textblock"><p>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>183 <div·class="textblock"><p>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">regressionValidation.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d13/a00377_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d4/d13/a00377_source.html">regressionValidation.h</a>.</p>
185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
186 <a·id="a2c306f8ac5d3e4c3b898edff9bd704c5"·name="a2c306f8ac5d3e4c3b898edff9bd704c5"></a>186 <a·id="a2c306f8ac5d3e4c3b898edff9bd704c5"·name="a2c306f8ac5d3e4c3b898edff9bd704c5"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c306f8ac5d3e4c3b898edff9bd704c5">&#9670;&#160;</a></span>RegressionValidation()</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c306f8ac5d3e4c3b898edff9bd704c5">&#9670;&#160;</a></span>RegressionValidation()</h2>
  
188 <div·class="memitem">188 <div·class="memitem">
189 <div·class="memproto">189 <div·class="memproto">
190 ······<table·class="memname">190 ······<table·class="memname">
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8 <title>BALL:·createSpectrumProcessor.h·File·Reference</title>8 <title>BALL:·serverWidget.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">createSpectrumProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">serverWidget.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 88 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
 89 <code>#include·&lt;BALL/VIEW/KERNEL/serverWidget.iC&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
89 </div>90 </div>
90 <p><a·href="../../d2/d71/a01055_source.html">Go·to·the·source·code·of·this·file.</a></p>91 <p><a·href="../../d2/d71/a01055_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">92 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>94 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a05462.html">BALL::CreateSpectrumProcessor</a></td></tr>95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dbd/a07942.html">BALL::VIEW::ServerWidget</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db3/a07946.html">BALL::VIEW::ServerWidget::NotCompositeObject</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a07950.html">BALL::VIEW::ServerWidget::BALLViewServer</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls">101 </table><table·class="memberdecls">
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
98 Namespaces</h2></td></tr>103 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>104 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
101 </table><table·class="memberdecls"> 
102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
103 Functions</h2></td></tr> 
104 <tr·class="memitem:gada6b196233d4e5313ee8656cb30bac5c"·id="r_gada6b196233d4e5313ee8656cb30bac5c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a02181.html#gada6b196233d4e5313ee8656cb30bac5c">BALL::operator&lt;&lt;</a>·(<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;data,·const·<a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">PeakList1D</a>·&amp;peak_list)</td></tr> 
105 <tr·class="separator:gada6b196233d4e5313ee8656cb30bac5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>108 </table>
107 </div><!--·contents·-->109 </div><!--·contents·-->
108 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
109 <hr·class="footer"/><address·class="footer"><small>111 <hr·class="footer"/><address·class="footer"><small>
110 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
111 </small></address>113 </small></address>
112 </body>114 </body>
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d0/d45/a05315.html">List·of·all·members</a>··</div>79 <a·href="../../d0/d45/a05315.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/MOLMEC/MMFF94/MMFF94StretchBend.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/MOLMEC/MMFF94/MMFF94StretchBend.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::MMFF94StretchBend:</div>85 Inheritance·diagram·for·BALL::MMFF94StretchBend:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d2/d74/a05318.png"·usemap="#BALL::MMFF94StretchBend_map"·alt=""/>88 ··<img·src="../../d2/d74/a05318.png"·usemap="#BALL::MMFF94StretchBend_map"·alt=""/>
89 ··<map·id="BALL::MMFF94StretchBend_map"·name="BALL::MMFF94StretchBend_map">89 ··<map·id="BALL::MMFF94StretchBend_map"·name="BALL::MMFF94StretchBend_map">
90 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>90 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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274 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>274 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
275 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>275 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
276 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>276 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
277 </table>277 </table>
278 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>278 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
279 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>279 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>
  
280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">MMFF94StretchBend.h</a>.</p>280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
281 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>281 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
282 <a·id="afeb8c662b3e8218f0acb7e45b9777fca"·name="afeb8c662b3e8218f0acb7e45b9777fca"></a>282 <a·id="afeb8c662b3e8218f0acb7e45b9777fca"·name="afeb8c662b3e8218f0acb7e45b9777fca"></a>
283 <h2·class="memtitle"><span·class="permalink"><a·href="#afeb8c662b3e8218f0acb7e45b9777fca">&#9670;&#160;</a></span>MMFF94StretchBend()·<span·class="overload">[1/3]</span></h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#afeb8c662b3e8218f0acb7e45b9777fca">&#9670;&#160;</a></span>MMFF94StretchBend()·<span·class="overload">[1/3]</span></h2>
  
284 <div·class="memitem">284 <div·class="memitem">
285 <div·class="memproto">285 <div·class="memproto">
286 ······<table·class="memname">286 ······<table·class="memname">
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559 ··</td>559 ··</td>
560 ··<td·class="mlabels-right">560 ··<td·class="mlabels-right">
561 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>561 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
562 ··</tr>562 ··</tr>
563 </table>563 </table>
564 </div><div·class="memdoc">564 </div><div·class="memdoc">
  
565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">MMFF94StretchBend.h</a>.</p>565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
566 </div>566 </div>
567 </div>567 </div>
568 <a·id="a4e5daea77265ac4839a884b0b621324e"·name="a4e5daea77265ac4839a884b0b621324e"></a>568 <a·id="a4e5daea77265ac4839a884b0b621324e"·name="a4e5daea77265ac4839a884b0b621324e"></a>
569 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e5daea77265ac4839a884b0b621324e">&#9670;&#160;</a></span>getBendType()</h2>569 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e5daea77265ac4839a884b0b621324e">&#9670;&#160;</a></span>getBendType()</h2>
  
570 <div·class="memitem">570 <div·class="memitem">
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649 ··</td>649 ··</td>
650 ··<td·class="mlabels-right">650 ··<td·class="mlabels-right">
651 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>651 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
652 ··</tr>652 ··</tr>
653 </table>653 </table>
654 </div><div·class="memdoc">654 </div><div·class="memdoc">
  
655 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">MMFF94StretchBend.h</a>.</p>655 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
656 </div>656 </div>
657 </div>657 </div>
658 <a·id="a4c42a3ef65536371b83bf70d673f9dc6"·name="a4c42a3ef65536371b83bf70d673f9dc6"></a>658 <a·id="a4c42a3ef65536371b83bf70d673f9dc6"·name="a4c42a3ef65536371b83bf70d673f9dc6"></a>
659 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c42a3ef65536371b83bf70d673f9dc6">&#9670;&#160;</a></span>getStretchEnergy()</h2>659 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c42a3ef65536371b83bf70d673f9dc6">&#9670;&#160;</a></span>getStretchEnergy()</h2>
  
660 <div·class="memitem">660 <div·class="memitem">
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693 ··</td>693 ··</td>
694 ··<td·class="mlabels-right">694 ··<td·class="mlabels-right">
695 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>695 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
696 ··</tr>696 ··</tr>
697 </table>697 </table>
698 </div><div·class="memdoc">698 </div><div·class="memdoc">
  
699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01586_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d2/d2f/a01586_source.html">MMFF94StretchBend.h</a>.</p>699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">MMFF94StretchBend.h</a>.</p>
  
700 </div>700 </div>
701 </div>701 </div>
702 <a·id="abda3ffd28c1e7170a866e53db60bf270"·name="abda3ffd28c1e7170a866e53db60bf270"></a>702 <a·id="abda3ffd28c1e7170a866e53db60bf270"·name="abda3ffd28c1e7170a866e53db60bf270"></a>
703 <h2·class="memtitle"><span·class="permalink"><a·href="#abda3ffd28c1e7170a866e53db60bf270">&#9670;&#160;</a></span>setup()</h2>703 <h2·class="memtitle"><span·class="permalink"><a·href="#abda3ffd28c1e7170a866e53db60bf270">&#9670;&#160;</a></span>setup()</h2>
  
704 <div·class="memitem">704 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/dab/a07363.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dab/a07363.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·MutexType·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·MutexType·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TMutex&lt;·MutexType·&gt;:</div>84 Inheritance·diagram·for·BALL::TMutex&lt;·MutexType·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/d7a/a07366.png"·usemap="#BALL::TMutex_3C_20MutexType_20_3E_map"·alt=""/>87 ··<img·src="../../d2/d7a/a07366.png"·usemap="#BALL::TMutex_3C_20MutexType_20_3E_map"·alt=""/>
88 ··<map·id="BALL::TMutex_3C_20MutexType_20_3E_map"·name="BALL::TMutex_3C_20MutexType_20_3E_map">88 ··<map·id="BALL::TMutex_3C_20MutexType_20_3E_map"·name="BALL::TMutex_3C_20MutexType_20_3E_map">
89 <area·href="../../d2/ddf/a20018.html"·alt="MutexType"·shape="rect"·coords="0,0,176,24"/>89 <area·href="../../d2/ddf/a20018.html"·alt="MutexType"·shape="rect"·coords="0,0,176,24"/>
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97 <tr·class="separator:a77d2a18fa677ebba7889f3f7e202154f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a77d2a18fa677ebba7889f3f7e202154f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>
101 class·BALL::TMutex&lt;·MutexType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutex,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>101 class·BALL::TMutex&lt;·MutexType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutex,·but·if·it·has·been·configured·with·boost::thread·support·enabled,·boost::mutex·can·also·be·used.·Similarly,·we·can·simply·provide·instantiations·using,·e.g,·Intel·thread·building·blocks.</p>
102 <p>A·BALL-mutex·needs·to·provide·the·functions·void·lock(),·void·unlock(),·and·bool·tryLock().·</p>102 <p>A·BALL-mutex·needs·to·provide·the·functions·void·lock(),·void·unlock(),·and·bool·tryLock().·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a77d2a18fa677ebba7889f3f7e202154f"·name="a77d2a18fa677ebba7889f3f7e202154f"></a>105 <a·id="a77d2a18fa677ebba7889f3f7e202154f"·name="a77d2a18fa677ebba7889f3f7e202154f"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a77d2a18fa677ebba7889f3f7e202154f">&#9670;&#160;</a></span>TMutex()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a77d2a18fa677ebba7889f3f7e202154f">&#9670;&#160;</a></span>TMutex()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <div·class="memtemplate">109 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
129 </table>129 </table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
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135 <!--·start·footer·part·-->135 <!--·start·footer·part·-->
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137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d7/dbe/a08587.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dbe/a08587.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
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87 <tr·class="separator:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8189de6f5373038303aaf93d07a9f1d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <div·class="textblock"><p><a·class="el"·href="../../d2/d80/a08590.html">Option</a>·Names·</p>90 <div·class="textblock"><p><a·class="el"·href="../../d2/d80/a08590.html">Option</a>·Names·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">crystalInfo.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
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94 <h2·class="memtitle"><span·class="permalink"><a·href="#a8189de6f5373038303aaf93d07a9f1d2">&#9670;&#160;</a></span>SPACE_GROUP_FILE</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a8189de6f5373038303aaf93d07a9f1d2">&#9670;&#160;</a></span>SPACE_GROUP_FILE</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>114 <p>The·file·name·for·the·space·group·to·symmetry·operations·mappings·file·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">crystalInfo.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
  
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117 </div>117 </div>
118 </div><!--·contents·-->118 </div><!--·contents·-->
119 <!--·start·footer·part·-->119 <!--·start·footer·part·-->
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67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fermiBaseFunction.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">hydrogenBondSlick.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d5b/a02078_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../d2/d8a/a02063_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/d8a/a02063_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d44/a06130.html">BALL::FermiBaseFunction</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc8/a06290.html">BALL::HydrogenBondSlick</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d96/a06294.html">BALL::HydrogenBondSlick::Option</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d9a/a06298.html">BALL::HydrogenBondSlick::Default</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
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91 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../dc/dc0/a03087.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dc0/a03087.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NullPointer·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NullPointer·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::NullPointer:</div>84 Inheritance·diagram·for·BALL::Exception::NullPointer:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::Exception::NullPointer_map"·name="BALL::Exception::NullPointer_map">88 ··<map·id="BALL::Exception::NullPointer_map"·name="BALL::Exception::NullPointer_map">
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Null·pointer·argument·is·invalid.·Use·this·exception·to·indicate·a·failure·due·to·an·argument·not·containing·a·pointer·to·a·valid·object,·but·a·null·pointer.·</p>143 <div·class="textblock"><p>Null·pointer·argument·is·invalid.·Use·this·exception·to·indicate·a·failure·due·to·an·argument·not·containing·a·pointer·to·a·valid·object,·but·a·null·pointer.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00258">258</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00258">258</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="acb4d7a252952ce67432db482789274f0"·name="acb4d7a252952ce67432db482789274f0"></a>146 <a·id="acb4d7a252952ce67432db482789274f0"·name="acb4d7a252952ce67432db482789274f0"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#acb4d7a252952ce67432db482789274f0">&#9670;&#160;</a></span>NullPointer()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#acb4d7a252952ce67432db482789274f0">&#9670;&#160;</a></span>NullPointer()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/d50/a08167.html">List·of·all·members</a>··</div>77 <a·href="../../da/d50/a08167.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Label·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Label·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dc4/a00617_source.html">BALL/VIEW/PRIMITIVES/label.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d36/a01388_source.html">BALL/VIEW/PRIMITIVES/label.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Label:</div>83 Inheritance·diagram·for·BALL::VIEW::Label:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d2/d8c/a08170.png"·usemap="#BALL::VIEW::Label_map"·alt=""/>86 ··<img·src="../../d2/d8c/a08170.png"·usemap="#BALL::VIEW::Label_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Label_map"·name="BALL::VIEW::Label_map">87 ··<map·id="BALL::VIEW::Label_map"·name="BALL::VIEW::Label_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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224 <li>224 <li>
225 Y·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type·name·</li>225 Y·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type·name·</li>
226 </ul>226 </ul>
227 </dd></dl>227 </dd></dl>
228 </li>228 </li>
229 </ul>229 </ul>
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
231 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>231 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
232 <a·id="a446784782f03dc9bd2d727dec67e9c06"·name="a446784782f03dc9bd2d727dec67e9c06"></a>232 <a·id="a446784782f03dc9bd2d727dec67e9c06"·name="a446784782f03dc9bd2d727dec67e9c06"></a>
233 <h2·class="memtitle"><span·class="permalink"><a·href="#a446784782f03dc9bd2d727dec67e9c06">&#9670;&#160;</a></span>Label()·<span·class="overload">[1/2]</span></h2>233 <h2·class="memtitle"><span·class="permalink"><a·href="#a446784782f03dc9bd2d727dec67e9c06">&#9670;&#160;</a></span>Label()·<span·class="overload">[1/2]</span></h2>
  
234 <div·class="memitem">234 <div·class="memitem">
235 <div·class="memproto">235 <div·class="memproto">
236 ······<table·class="memname">236 ······<table·class="memname">
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426 ··</td>426 ··</td>
427 ··<td·class="mlabels-right">427 ··<td·class="mlabels-right">
428 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>428 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
429 ··</tr>429 ··</tr>
430 </table>430 </table>
431 </div><div·class="memdoc">431 </div><div·class="memdoc">
  
432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
433 </div>433 </div>
434 </div>434 </div>
435 <a·id="a61e3b0e1ee1a1ca64822507215186a41"·name="a61e3b0e1ee1a1ca64822507215186a41"></a>435 <a·id="a61e3b0e1ee1a1ca64822507215186a41"·name="a61e3b0e1ee1a1ca64822507215186a41"></a>
436 <h2·class="memtitle"><span·class="permalink"><a·href="#a61e3b0e1ee1a1ca64822507215186a41">&#9670;&#160;</a></span>getText()</h2>436 <h2·class="memtitle"><span·class="permalink"><a·href="#a61e3b0e1ee1a1ca64822507215186a41">&#9670;&#160;</a></span>getText()</h2>
  
437 <div·class="memitem">437 <div·class="memitem">
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454 ··<td·class="mlabels-right">454 ··<td·class="mlabels-right">
455 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>455 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
456 ··</tr>456 ··</tr>
457 </table>457 </table>
458 </div><div·class="memdoc">458 </div><div·class="memdoc">
459 <p>Inspection·of·the·text·of·the·label.·</p>459 <p>Inspection·of·the·text·of·the·label.·</p>
  
460 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>460 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
461 </div>461 </div>
462 </div>462 </div>
463 <a·id="aac71f228e8d1da2de52b39c81bd410f0"·name="aac71f228e8d1da2de52b39c81bd410f0"></a>463 <a·id="aac71f228e8d1da2de52b39c81bd410f0"·name="aac71f228e8d1da2de52b39c81bd410f0"></a>
464 <h2·class="memtitle"><span·class="permalink"><a·href="#aac71f228e8d1da2de52b39c81bd410f0">&#9670;&#160;</a></span>getVertices()</h2>464 <h2·class="memtitle"><span·class="permalink"><a·href="#aac71f228e8d1da2de52b39c81bd410f0">&#9670;&#160;</a></span>getVertices()</h2>
  
465 <div·class="memitem">465 <div·class="memitem">
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584 ··</td>584 ··</td>
585 ··<td·class="mlabels-right">585 ··<td·class="mlabels-right">
586 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>586 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
587 ··</tr>587 ··</tr>
588 </table>588 </table>
589 </div><div·class="memdoc">589 </div><div·class="memdoc">
  
590 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>590 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
591 </div>591 </div>
592 </div>592 </div>
593 <a·id="a9a73b3f574348ffef09f0d04dc51cc2a"·name="a9a73b3f574348ffef09f0d04dc51cc2a"></a>593 <a·id="a9a73b3f574348ffef09f0d04dc51cc2a"·name="a9a73b3f574348ffef09f0d04dc51cc2a"></a>
594 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a73b3f574348ffef09f0d04dc51cc2a">&#9670;&#160;</a></span>setFontSize()</h2>594 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a73b3f574348ffef09f0d04dc51cc2a">&#9670;&#160;</a></span>setFontSize()</h2>
  
595 <div·class="memitem">595 <div·class="memitem">
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612 ··</td>612 ··</td>
613 ··<td·class="mlabels-right">613 ··<td·class="mlabels-right">
614 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>614 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
615 ··</tr>615 ··</tr>
616 </table>616 </table>
617 </div><div·class="memdoc">617 </div><div·class="memdoc">
  
618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>618 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
619 </div>619 </div>
620 </div>620 </div>
621 <a·id="acc6e68758e29f3316b4d55c0b7e30f93"·name="acc6e68758e29f3316b4d55c0b7e30f93"></a>621 <a·id="acc6e68758e29f3316b4d55c0b7e30f93"·name="acc6e68758e29f3316b4d55c0b7e30f93"></a>
622 <h2·class="memtitle"><span·class="permalink"><a·href="#acc6e68758e29f3316b4d55c0b7e30f93">&#9670;&#160;</a></span>setText()</h2>622 <h2·class="memtitle"><span·class="permalink"><a·href="#acc6e68758e29f3316b4d55c0b7e30f93">&#9670;&#160;</a></span>setText()</h2>
  
623 <div·class="memitem">623 <div·class="memitem">
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641 ··<td·class="mlabels-right">641 ··<td·class="mlabels-right">
642 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>642 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
643 ··</tr>643 ··</tr>
644 </table>644 </table>
645 </div><div·class="memdoc">645 </div><div·class="memdoc">
646 <p>Change·the·text·of·the·label.·</p>646 <p>Change·the·text·of·the·label.·</p>
  
647 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>647 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
648 </div>648 </div>
649 </div>649 </div>
650 <a·id="aa33f65e8040a85c7e878b2e574c85389"·name="aa33f65e8040a85c7e878b2e574c85389"></a>650 <a·id="aa33f65e8040a85c7e878b2e574c85389"·name="aa33f65e8040a85c7e878b2e574c85389"></a>
651 <h2·class="memtitle"><span·class="permalink"><a·href="#aa33f65e8040a85c7e878b2e574c85389">&#9670;&#160;</a></span>swap()</h2>651 <h2·class="memtitle"><span·class="permalink"><a·href="#aa33f65e8040a85c7e878b2e574c85389">&#9670;&#160;</a></span>swap()</h2>
  
652 <div·class="memitem">652 <div·class="memitem">
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685 ··</td>685 ··</td>
686 ··<td·class="mlabels-right">686 ··<td·class="mlabels-right">
687 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>687 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
688 ··</tr>688 ··</tr>
689 </table>689 </table>
690 </div><div·class="memdoc">690 </div><div·class="memdoc">
  
691 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">label.h</a>.</p>691 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d36/a01388_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d0/d36/a01388_source.html">label.h</a>.</p>
  
692 </div>692 </div>
693 </div>693 </div>
694 <a·id="a72a3fafffc9715abf3ffd37590016c4d"·name="a72a3fafffc9715abf3ffd37590016c4d"></a>694 <a·id="a72a3fafffc9715abf3ffd37590016c4d"·name="a72a3fafffc9715abf3ffd37590016c4d"></a>
695 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a3fafffc9715abf3ffd37590016c4d">&#9670;&#160;</a></span>text_</h2>695 <h2·class="memtitle"><span·class="permalink"><a·href="#a72a3fafffc9715abf3ffd37590016c4d">&#9670;&#160;</a></span>text_</h2>
  
696 <div·class="memitem">696 <div·class="memitem">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/d1a/a05767.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d1a/a05767.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::MLRModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::MLRModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/dcd/a00965_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/QSAR/mlrModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::MLRModel:</div>83 Inheritance·diagram·for·BALL::QSAR::MLRModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d2/d90/a05770.png"·usemap="#BALL::QSAR::MLRModel_map"·alt=""/>86 ··<img·src="../../d2/d90/a05770.png"·usemap="#BALL::QSAR::MLRModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::MLRModel_map"·name="BALL::QSAR::MLRModel_map">87 ··<map·id="BALL::QSAR::MLRModel_map"·name="BALL::QSAR::MLRModel_map">
88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,188,136"/>88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,188,136"/>
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243 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>243 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
244 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>244 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
245 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>245 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
246 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 </table>247 </table>
248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>248 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
249 <div·class="textblock">249 <div·class="textblock">
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dcd/a00965_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/dcd/a00965_source.html">mlrModel.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5f/a00461_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d5/d5f/a00461_source.html">mlrModel.h</a>.</p>
251 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>251 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
252 <a·id="a64ba70dcb598d5f4a43d017882a78c87"·name="a64ba70dcb598d5f4a43d017882a78c87"></a>252 <a·id="a64ba70dcb598d5f4a43d017882a78c87"·name="a64ba70dcb598d5f4a43d017882a78c87"></a>
253 <h2·class="memtitle"><span·class="permalink"><a·href="#a64ba70dcb598d5f4a43d017882a78c87">&#9670;&#160;</a></span>MLRModel()</h2>253 <h2·class="memtitle"><span·class="permalink"><a·href="#a64ba70dcb598d5f4a43d017882a78c87">&#9670;&#160;</a></span>MLRModel()</h2>
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fftwCommon.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">triple.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;fftw3.h&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d2/d94/a00716_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d2/d94/a00716_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>86 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html">BALL::DoubleTraits</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d78/a03622.html">BALL::Triple&lt;·T1,·T2,·T3·&gt;</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/de6/a04814.html">BALL::FloatTraits</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html">BALL::LongDoubleTraits</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fieldLinesDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">descriptor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/df5/a00386_source.html">BALL/VIEW/MODELS/fieldLineCreator.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_fieldLinesDialog.h&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d2/d9d/a00464_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/d9d/a00464_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d42/a07610.html">BALL::VIEW::FieldLinesDialog</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>95 </table>
99 </div><!--·contents·-->96 </div><!--·contents·-->
100 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d1/d95/a06703.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d95/a06703.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AStarBondOrderStrategy:</div>84 Inheritance·diagram·for·BALL::AStarBondOrderStrategy:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::AStarBondOrderStrategy_map"·name="BALL::AStarBondOrderStrategy_map">88 ··<map·id="BALL::AStarBondOrderStrategy_map"·name="BALL::AStarBondOrderStrategy_map">
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137 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<br·/></td></tr>137 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89·inherit·pub_attribs_a06726"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<br·/></td></tr>
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141 <div·class="textblock"><p>AStar·algorithm·for·bond·order·assignment.</p>141 <div·class="textblock"><p>AStar·algorithm·for·bond·order·assignment.</p>
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143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
144 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>144 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
145 <a·id="a1877fcf99683528061dd5d8f25d7b226"·name="a1877fcf99683528061dd5d8f25d7b226"></a>145 <a·id="a1877fcf99683528061dd5d8f25d7b226"·name="a1877fcf99683528061dd5d8f25d7b226"></a>
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147 <div·class="memitem">147 <div·class="memitem">
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353 ··</tr>353 ··</tr>
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355 </div><div·class="memdoc">355 </div><div·class="memdoc">
  
356 <p>The·chosen·heuristic.·</p>356 <p>The·chosen·heuristic.·</p>
  
357 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>357 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
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383 </div>383 </div>
384 </div>384 </div>
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405 </div><div·class="memdoc">405 </div><div·class="memdoc">
  
406 <p>The·priority·queue.·</p>406 <p>The·priority·queue.·</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::PropertyValue·Union·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::PropertyValue·Union·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>possible·types·of·the·properties··82 <p>possible·types·of·the·properties··
83 ·<a·href="../../d2/da4/a07230.html#details">More...</a></p>83 ·<a·href="../../d2/da4/a07230.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
87 Public·Attributes</h2></td></tr>87 Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a6aeb54770a9ca2fe739dab7786680424"·id="r_a6aeb54770a9ca2fe739dab7786680424"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html#a6aeb54770a9ca2fe739dab7786680424">int_value</a></td></tr>88 <tr·class="memitem:a6aeb54770a9ca2fe739dab7786680424"·id="r_a6aeb54770a9ca2fe739dab7786680424"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html#a6aeb54770a9ca2fe739dab7786680424">int_value</a></td></tr>
89 <tr·class="separator:a6aeb54770a9ca2fe739dab7786680424"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6aeb54770a9ca2fe739dab7786680424"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="separator:a1d50440175a073f1ef10ea0493e91153"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a1d50440175a073f1ef10ea0493e91153"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="separator:a8eea2507fc0661248f85e816b4dc39f4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a8eea2507fc0661248f85e816b4dc39f4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p>possible·types·of·the·properties·</p>100 <div·class="textblock"><p>possible·types·of·the·properties·</p>
  
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102 </div><h2·class="groupheader">Member·Data·Documentation</h2>102 </div><h2·class="groupheader">Member·Data·Documentation</h2>
103 <a·id="a1d50440175a073f1ef10ea0493e91153"·name="a1d50440175a073f1ef10ea0493e91153"></a>103 <a·id="a1d50440175a073f1ef10ea0493e91153"·name="a1d50440175a073f1ef10ea0493e91153"></a>
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114 </div>114 </div>
115 </div>115 </div>
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128 ········</tr>128 ········</tr>
129 ······</table>129 ······</table>
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131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00218">218</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00218">218</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
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135 <h2·class="memtitle"><span·class="permalink"><a·href="#acb6fa809d9f6078169ce49161b1fe235">&#9670;&#160;</a></span>element_value</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#acb6fa809d9f6078169ce49161b1fe235">&#9670;&#160;</a></span>element_value</h2>
  
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143 ··········<td·class="memname">const·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::SmartsParser::SPAtom::PropertyValue::element_value</td>143 ··········<td·class="memname">const·<a·class="el"·href="../../d9/d98/a04610.html">Element</a>*·BALL::SmartsParser::SPAtom::PropertyValue::element_value</td>
144 ········</tr>144 ········</tr>
145 ······</table>145 ······</table>
146 </div><div·class="memdoc">146 </div><div·class="memdoc">
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
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151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aeb54770a9ca2fe739dab7786680424">&#9670;&#160;</a></span>int_value</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aeb54770a9ca2fe739dab7786680424">&#9670;&#160;</a></span>int_value</h2>
  
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159 ··········<td·class="memname">int·BALL::SmartsParser::SPAtom::PropertyValue::int_value</td>159 ··········<td·class="memname">int·BALL::SmartsParser::SPAtom::PropertyValue::int_value</td>
160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
 87 <code>#include·&lt;set&gt;</code><br·/>
 88 <code>#include·&lt;deque&gt;</code><br·/>
84 </div>89 </div>
85 <p><a·href="../../d2/dbd/a01844_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d2/dbd/a01844_source.html">Go·to·the·source·code·of·this·file.</a></p>
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82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
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143 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>144 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
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146 </table>146 </table>
147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
148 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·equivalences·for·atom·types·(see·MMFFDEF.PAR)·</p>148 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·equivalences·for·atom·types·(see·MMFFDEF.PAR)·</p>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
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152 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5bbeee33712ee997a95fcf15cf92fc5">&#9670;&#160;</a></span>MMFF94AtomTypeEquivalences()·<span·class="overload">[1/2]</span></h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5bbeee33712ee997a95fcf15cf92fc5">&#9670;&#160;</a></span>MMFF94AtomTypeEquivalences()·<span·class="overload">[1/2]</span></h2>
  
153 <div·class="memitem">153 <div·class="memitem">
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
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317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
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335 ··</td>335 ··</td>
336 ··<td·class="mlabels-right">336 ··<td·class="mlabels-right">
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341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>341 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
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359 ··</td>359 ··</td>
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361 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>361 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code><br·/>
 87 </div>
 88 <p><a·href="../../d2/dc1/a01562_source.html">Go·to·the·source·code·of·this·file.</a></p>
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74 </div><!--·contents·-->100 </div><!--·contents·-->
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79 ··<div·class="headertitle"><div·class="title">BALL::PTE_·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PTE_·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code></p>
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136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p>Periodic·Table·of·Elements·Class·</p>137 <div·class="textblock"><p>Periodic·Table·of·Elements·Class·</p>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a00854_source.html#l00651">651</a>·of·file·<a·class="el"·href="../../d6/d2f/a00854_source.html">PTE.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/de5/a00503_source.html#l00651">651</a>·of·file·<a·class="el"·href="../../d4/de5/a00503_source.html">PTE.h</a>.</p>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../d0/dcf/a05131.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dcf/a05131.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TypeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TypeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/MOLMEC/COMMON/typeRuleProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TypeRuleProcessor:</div>84 Inheritance·diagram·for·BALL::TypeRuleProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/dc4/a05134.png"·usemap="#BALL::TypeRuleProcessor_map"·alt=""/>87 ··<img·src="../../d2/dc4/a05134.png"·usemap="#BALL::TypeRuleProcessor_map"·alt=""/>
88 ··<map·id="BALL::TypeRuleProcessor_map"·name="BALL::TypeRuleProcessor_map">88 ··<map·id="BALL::TypeRuleProcessor_map"·name="BALL::TypeRuleProcessor_map">
89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>
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163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>
165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p>Type·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>168 <div·class="textblock"><p>Type·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">typeRuleProcessor.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3a/a00101_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/d3a/a00101_source.html">typeRuleProcessor.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="a731ee0a26bbee1854cdf0393f7cb986c"·name="a731ee0a26bbee1854cdf0393f7cb986c"></a>171 <a·id="a731ee0a26bbee1854cdf0393f7cb986c"·name="a731ee0a26bbee1854cdf0393f7cb986c"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a731ee0a26bbee1854cdf0393f7cb986c">&#9670;&#160;</a></span>TypeRuleProcessor()·<span·class="overload">[1/3]</span></h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a731ee0a26bbee1854cdf0393f7cb986c">&#9670;&#160;</a></span>TypeRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/de9/a06835.html">List·of·all·members</a>··</div>78 <a·href="../../d5/de9/a06835.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ClearChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ClearChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ClearChargeProcessor:</div>84 Inheritance·diagram·for·BALL::ClearChargeProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/dc7/a06838.png"·usemap="#BALL::ClearChargeProcessor_map"·alt=""/>87 ··<img·src="../../d2/dc7/a06838.png"·usemap="#BALL::ClearChargeProcessor_map"·alt=""/>
88 ··<map·id="BALL::ClearChargeProcessor_map"·name="BALL::ClearChargeProcessor_map">88 ··<map·id="BALL::ClearChargeProcessor_map"·name="BALL::ClearChargeProcessor_map">
89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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124 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>125 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
126 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p>Clears·the·charge·on·all·atoms·</p>129 <div·class="textblock"><p>Clears·the·charge·on·all·atoms·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
131 </div><h2·class="groupheader">Member·Function·Documentation</h2>131 </div><h2·class="groupheader">Member·Function·Documentation</h2>
132 <a·id="a082ec12d5e07adb41d63d9ea5d1189dc"·name="a082ec12d5e07adb41d63d9ea5d1189dc"></a>132 <a·id="a082ec12d5e07adb41d63d9ea5d1189dc"·name="a082ec12d5e07adb41d63d9ea5d1189dc"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a082ec12d5e07adb41d63d9ea5d1189dc">&#9670;&#160;</a></span>operator()()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a082ec12d5e07adb41d63d9ea5d1189dc">&#9670;&#160;</a></span>operator()()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
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8 <title>BALL:·connectionObject.h·File·Reference</title>8 <title>BALL:·cubicSpline1D.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">connectionObject.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">cubicSpline1D.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/>
 82 <code>#include·&lt;map&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;BALL/VIEW/KERNEL/connectionObject.iC&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../d2/dc8/a00242_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d2/dc8/a00242_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>89 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html">BALL::VIEW::ConnectionObject</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d56/a04790.html">BALL::CubicSpline1D</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/dfb/a03999.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dfb/a03999.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MolFileFactory·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MolFileFactory·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01313_source.html">BALL/FORMAT/molFileFactory.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d7b/a00986_source.html">BALL/FORMAT/molFileFactory.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
85 Static·Public·Member·Functions</h2></td></tr>85 Static·Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a56883b1710f00fbf1942483774d373a5"·id="r_a56883b1710f00fbf1942483774d373a5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a56883b1710f00fbf1942483774d373a5">getSupportedFormats</a>·()</td></tr>86 <tr·class="memitem:a56883b1710f00fbf1942483774d373a5"·id="r_a56883b1710f00fbf1942483774d373a5"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a56883b1710f00fbf1942483774d373a5">getSupportedFormats</a>·()</td></tr>
87 <tr·class="separator:a56883b1710f00fbf1942483774d373a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a56883b1710f00fbf1942483774d373a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a60dda39e055cb9361e150f07a3d11c90"·id="r_a60dda39e055cb9361e150f07a3d11c90"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a60dda39e055cb9361e150f07a3d11c90">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>88 <tr·class="memitem:a60dda39e055cb9361e150f07a3d11c90"·id="r_a60dda39e055cb9361e150f07a3d11c90"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#a60dda39e055cb9361e150f07a3d11c90">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>
89 <tr·class="separator:a60dda39e055cb9361e150f07a3d11c90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a60dda39e055cb9361e150f07a3d11c90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:a028b434142aa15b143fdc65bd00e0a1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a028b434142aa15b143fdc65bd00e0a1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:ae74e52709e70659dda71ad53e2648e0c"·id="r_ae74e52709e70659dda71ad53e2648e0c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#ae74e52709e70659dda71ad53e2648e0c">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*default_format_file)</td></tr>95 <tr·class="memitem:ae74e52709e70659dda71ad53e2648e0c"·id="r_ae74e52709e70659dda71ad53e2648e0c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html#ae74e52709e70659dda71ad53e2648e0c">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·*default_format_file)</td></tr>
96 <tr·class="separator:ae74e52709e70659dda71ad53e2648e0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:ae74e52709e70659dda71ad53e2648e0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>This·class·offers·a·factory·method·that·given·a·path·to·a·molecule·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·</p>99 <div·class="textblock"><p>This·class·offers·a·factory·method·that·given·a·path·to·a·molecule·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../d0/d0b/a03910.html">GenericMolFile</a>·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01313_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../de/d90/a01313_source.html">molFileFactory.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d7b/a00986_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/d7b/a00986_source.html">molFileFactory.h</a>.</p>
101 </div><h2·class="groupheader">Member·Function·Documentation</h2>101 </div><h2·class="groupheader">Member·Function·Documentation</h2>
102 <a·id="a56883b1710f00fbf1942483774d373a5"·name="a56883b1710f00fbf1942483774d373a5"></a>102 <a·id="a56883b1710f00fbf1942483774d373a5"·name="a56883b1710f00fbf1942483774d373a5"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a56883b1710f00fbf1942483774d373a5">&#9670;&#160;</a></span>getSupportedFormats()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a56883b1710f00fbf1942483774d373a5">&#9670;&#160;</a></span>getSupportedFormats()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../db/d15/a07911.html">List·of·all·members</a>··</div>80 <a·href="../../db/d15/a07911.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PickingMode·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PickingMode·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d3f/a00173_source.html">BALL/VIEW/KERNEL/MODES/pickingMode.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/VIEW/KERNEL/MODES/pickingMode.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::PickingMode:</div>86 Inheritance·diagram·for·BALL::VIEW::PickingMode:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d2/dd7/a07914.png"·usemap="#BALL::VIEW::PickingMode_map"·alt=""/>89 ··<img·src="../../d2/dd7/a07914.png"·usemap="#BALL::VIEW::PickingMode_map"·alt=""/>
90 ··<map·id="BALL::VIEW::PickingMode_map"·name="BALL::VIEW::PickingMode_map">90 ··<map·id="BALL::VIEW::PickingMode_map"·name="BALL::VIEW::PickingMode_map">
91 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>91 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>
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195 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>195 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
196 <tr·class="inherit_header·pro_slots_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('pro_slots_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Slots·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>196 <tr·class="inherit_header·pro_slots_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('pro_slots_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Slots·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>
197 <tr·class="memitem:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"·id="r_a04a9a2983ad1fda1c12bc886ee4afb23"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a04a9a2983ad1fda1c12bc886ee4afb23">modeChangeSlot_</a>·()</td></tr>197 <tr·class="memitem:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"·id="r_a04a9a2983ad1fda1c12bc886ee4afb23"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a04a9a2983ad1fda1c12bc886ee4afb23">modeChangeSlot_</a>·()</td></tr>
198 <tr·class="separator:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a04a9a2983ad1fda1c12bc886ee4afb23·inherit·pro_slots_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 </table>199 </table>
200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
201 <div·class="textblock">201 <div·class="textblock">
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d3f/a00173_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d7/d3f/a00173_source.html">pickingMode.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
204 <a·id="aefa621db640efb89b1e217a98869528b"·name="aefa621db640efb89b1e217a98869528b"></a>204 <a·id="aefa621db640efb89b1e217a98869528b"·name="aefa621db640efb89b1e217a98869528b"></a>
205 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa621db640efb89b1e217a98869528b">&#9670;&#160;</a></span>PickingMode()</h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#aefa621db640efb89b1e217a98869528b">&#9670;&#160;</a></span>PickingMode()</h2>
  
206 <div·class="memitem">206 <div·class="memitem">
207 <div·class="memproto">207 <div·class="memproto">
208 ······<table·class="memname">208 ······<table·class="memname">
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322 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>322 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
323 ··</tr>323 ··</tr>
324 </table>324 </table>
325 </div><div·class="memdoc">325 </div><div·class="memdoc">
  
326 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>326 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>
  
327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d3f/a00173_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/d3f/a00173_source.html">pickingMode.h</a>.</p>327 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
  
328 </div>328 </div>
329 </div>329 </div>
330 <a·id="ab634d04bb660824d756cc1bc24f0ce68"·name="ab634d04bb660824d756cc1bc24f0ce68"></a>330 <a·id="ab634d04bb660824d756cc1bc24f0ce68"·name="ab634d04bb660824d756cc1bc24f0ce68"></a>
331 <h2·class="memtitle"><span·class="permalink"><a·href="#ab634d04bb660824d756cc1bc24f0ce68">&#9670;&#160;</a></span>mouseDoubleClickEvent()</h2>331 <h2·class="memtitle"><span·class="permalink"><a·href="#ab634d04bb660824d756cc1bc24f0ce68">&#9670;&#160;</a></span>mouseDoubleClickEvent()</h2>
  
332 <div·class="memitem">332 <div·class="memitem">
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535 ··</td>535 ··</td>
536 ··<td·class="mlabels-right">536 ··<td·class="mlabels-right">
537 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>537 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
538 ··</tr>538 ··</tr>
539 </table>539 </table>
540 </div><div·class="memdoc">540 </div><div·class="memdoc">
  
541 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d3f/a00173_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d7/d3f/a00173_source.html">pickingMode.h</a>.</p>541 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
  
542 </div>542 </div>
543 </div>543 </div>
544 <a·id="a7a7eea2510d958faccf434431e18f774"·name="a7a7eea2510d958faccf434431e18f774"></a>544 <a·id="a7a7eea2510d958faccf434431e18f774"·name="a7a7eea2510d958faccf434431e18f774"></a>
545 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a7eea2510d958faccf434431e18f774">&#9670;&#160;</a></span>mouse_pos_pick_</h2>545 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a7eea2510d958faccf434431e18f774">&#9670;&#160;</a></span>mouse_pos_pick_</h2>
  
546 <div·class="memitem">546 <div·class="memitem">
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559 ··</td>559 ··</td>
560 ··<td·class="mlabels-right">560 ··<td·class="mlabels-right">
561 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>561 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
562 ··</tr>562 ··</tr>
563 </table>563 </table>
564 </div><div·class="memdoc">564 </div><div·class="memdoc">
  
565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d3f/a00173_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d7/d3f/a00173_source.html">pickingMode.h</a>.</p>565 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
  
566 </div>566 </div>
567 </div>567 </div>
568 <a·id="a1b906fc47549ad843c7404aeb105f2e6"·name="a1b906fc47549ad843c7404aeb105f2e6"></a>568 <a·id="a1b906fc47549ad843c7404aeb105f2e6"·name="a1b906fc47549ad843c7404aeb105f2e6"></a>
569 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b906fc47549ad843c7404aeb105f2e6">&#9670;&#160;</a></span>pick_select_</h2>569 <h2·class="memtitle"><span·class="permalink"><a·href="#a1b906fc47549ad843c7404aeb105f2e6">&#9670;&#160;</a></span>pick_select_</h2>
  
570 <div·class="memitem">570 <div·class="memitem">
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583 ··</td>583 ··</td>
584 ··<td·class="mlabels-right">584 ··<td·class="mlabels-right">
585 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>585 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
586 ··</tr>586 ··</tr>
587 </table>587 </table>
588 </div><div·class="memdoc">588 </div><div·class="memdoc">
  
589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d3f/a00173_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d7/d3f/a00173_source.html">pickingMode.h</a>.</p>589 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">pickingMode.h</a>.</p>
  
590 </div>590 </div>
591 </div>591 </div>
592 </div><!--·contents·-->592 </div><!--·contents·-->
593 <!--·start·footer·part·-->593 <!--·start·footer·part·-->
594 <hr·class="footer"/><address·class="footer"><small>594 <hr·class="footer"/><address·class="footer"><small>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>·&#124; 
79 <a·href="#func-members">Functions</a>··</div> 
80 ··<div·class="headertitle"><div·class="title">FFT1D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">MPISupport.h·File·Reference</div></div>
81 </div><!--header-->79 </div><!--header-->
82 <div·class="contents">80 <div·class="contents">
83 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;iostream&gt;</code><br·/>
85 <code>#include·&lt;cmath&gt;</code><br·/>86 <code>#include·&lt;mpi.h&gt;</code><br·/>
86 <code>#include·&lt;complex&gt;</code><br·/> 
87 <code>#include·&lt;fftw3.h&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d0/d5a/a01199_source.html">BALL/COMMON/constants.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code><br·/> 
90 </div>87 </div>
91 <p><a·href="../../d2/ddd/a00755_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d2/ddd/a00755_source.html">Go·to·the·source·code·of·this·file.</a></p>
92 <table·class="memberdecls">89 <table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
94 Classes</h2></td></tr>91 Classes</h2></td></tr>
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1a/a04798.html">BALL::TFFT1D&lt;·ComplexTraits·&gt;</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d99/a07362.html">BALL::MPISupport</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
99 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table><table·class="memberdecls"> 
103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
104 Typedefs</h2></td></tr> 
105 <tr·class="memitem:aa2dd366a9e3f19dd1d9ab69698216bf7"·id="r_aa2dd366a9e3f19dd1d9ab69698216bf7"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d3/d1a/a04798.html">TFFT1D</a>&lt;·BALL_FFTW_DEFAULT_TRAITS·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#aa2dd366a9e3f19dd1d9ab69698216bf7">BALL::FFT1D</a></td></tr> 
106 <tr·class="separator:aa2dd366a9e3f19dd1d9ab69698216bf7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 </table><table·class="memberdecls"> 
108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
109 Functions</h2></td></tr> 
110 <tr·class="memitem:acb9310bd477407e8f71a27f52e90fdd3"·id="r_acb9310bd477407e8f71a27f52e90fdd3"><td·class="memTemplParams"·colspan="2">template&lt;typename·ComplexTraits·&gt;·</td></tr> 
111 <tr·class="memitem:acb9310bd477407e8f71a27f52e90fdd3"><td·class="memTemplItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#acb9310bd477407e8f71a27f52e90fdd3">BALL::operator&lt;&lt;</a>·(<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;to,·const·<a·class="el"·href="../../d3/d1a/a04798.html">TFFT1D</a>&lt;·ComplexTraits·&gt;·&amp;from)</td></tr> 
112 <tr·class="separator:acb9310bd477407e8f71a27f52e90fdd3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
113 </table>99 </table>
114 </div><!--·contents·-->100 </div><!--·contents·-->
115 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
116 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
117 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d7/d51/a06999.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d51/a06999.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Peptides::AminoAcidDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d5/dbb/a02193.html">Creation·of·peptides</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Peptides::AminoAcidDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d5/dbb/a02193.html">Creation·of·peptides</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/dbe/a01706_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a291c28374476b95f7a6f06566fb0d275"·id="r_a291c28374476b95f7a6f06566fb0d275"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a291c28374476b95f7a6f06566fb0d275">AminoAcidDescriptor</a>·()</td></tr>87 <tr·class="memitem:a291c28374476b95f7a6f06566fb0d275"·id="r_a291c28374476b95f7a6f06566fb0d275"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a291c28374476b95f7a6f06566fb0d275">AminoAcidDescriptor</a>·()</td></tr>
88 <tr·class="separator:a291c28374476b95f7a6f06566fb0d275"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a291c28374476b95f7a6f06566fb0d275"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ad87f7890634d03c9868aabdab85254a0"·id="r_ad87f7890634d03c9868aabdab85254a0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#ad87f7890634d03c9868aabdab85254a0">AminoAcidDescriptor</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;type,·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;phi=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(-47.,·false),·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;psi=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(-58.,·false),·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;omega=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(180.,·false))</td></tr>89 <tr·class="memitem:ad87f7890634d03c9868aabdab85254a0"·id="r_ad87f7890634d03c9868aabdab85254a0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#ad87f7890634d03c9868aabdab85254a0">AminoAcidDescriptor</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;type,·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;phi=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(-47.,·false),·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;psi=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(-58.,·false),·const·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·&amp;omega=<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>(180.,·false))</td></tr>
90 <tr·class="separator:ad87f7890634d03c9868aabdab85254a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ad87f7890634d03c9868aabdab85254a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 121, 15 lines modifiedOffset 121, 15 lines modified
121 <tr·class="separator:af8cc72af6fa0c92899cdc3d5cf92aebc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:af8cc72af6fa0c92899cdc3d5cf92aebc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 <tr·class="memitem:a917c91256cfbdc06cd452ad35229e7c8"·id="r_a917c91256cfbdc06cd452ad35229e7c8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a917c91256cfbdc06cd452ad35229e7c8">omega_</a></td></tr>122 <tr·class="memitem:a917c91256cfbdc06cd452ad35229e7c8"·id="r_a917c91256cfbdc06cd452ad35229e7c8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html#a917c91256cfbdc06cd452ad35229e7c8">omega_</a></td></tr>
123 <tr·class="separator:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a917c91256cfbdc06cd452ad35229e7c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p>This·class·represents·one·amino·acid·in·the·sequence.·</p>126 <div·class="textblock"><p>This·class·represents·one·amino·acid·in·the·sequence.·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">peptideBuilder.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a291c28374476b95f7a6f06566fb0d275"·name="a291c28374476b95f7a6f06566fb0d275"></a>129 <a·id="a291c28374476b95f7a6f06566fb0d275"·name="a291c28374476b95f7a6f06566fb0d275"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a291c28374476b95f7a6f06566fb0d275">&#9670;&#160;</a></span>AminoAcidDescriptor()·<span·class="overload">[1/3]</span></h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a291c28374476b95f7a6f06566fb0d275">&#9670;&#160;</a></span>AminoAcidDescriptor()·<span·class="overload">[1/3]</span></h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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399 ··</td>399 ··</td>
400 ··<td·class="mlabels-right">400 ··<td·class="mlabels-right">
401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
402 ··</tr>402 ··</tr>
403 </table>403 </table>
404 </div><div·class="memdoc">404 </div><div·class="memdoc">
  
405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">peptideBuilder.h</a>.</p>405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
406 </div>406 </div>
407 </div>407 </div>
408 <a·id="a061b253d92d91ae2796c4d4e026a3290"·name="a061b253d92d91ae2796c4d4e026a3290"></a>408 <a·id="a061b253d92d91ae2796c4d4e026a3290"·name="a061b253d92d91ae2796c4d4e026a3290"></a>
409 <h2·class="memtitle"><span·class="permalink"><a·href="#a061b253d92d91ae2796c4d4e026a3290">&#9670;&#160;</a></span>phi_</h2>409 <h2·class="memtitle"><span·class="permalink"><a·href="#a061b253d92d91ae2796c4d4e026a3290">&#9670;&#160;</a></span>phi_</h2>
  
410 <div·class="memitem">410 <div·class="memitem">
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423 ··</td>423 ··</td>
424 ··<td·class="mlabels-right">424 ··<td·class="mlabels-right">
425 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>425 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
426 ··</tr>426 ··</tr>
427 </table>427 </table>
428 </div><div·class="memdoc">428 </div><div·class="memdoc">
  
429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">peptideBuilder.h</a>.</p>429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
430 </div>430 </div>
431 </div>431 </div>
432 <a·id="af8cc72af6fa0c92899cdc3d5cf92aebc"·name="af8cc72af6fa0c92899cdc3d5cf92aebc"></a>432 <a·id="af8cc72af6fa0c92899cdc3d5cf92aebc"·name="af8cc72af6fa0c92899cdc3d5cf92aebc"></a>
433 <h2·class="memtitle"><span·class="permalink"><a·href="#af8cc72af6fa0c92899cdc3d5cf92aebc">&#9670;&#160;</a></span>psi_</h2>433 <h2·class="memtitle"><span·class="permalink"><a·href="#af8cc72af6fa0c92899cdc3d5cf92aebc">&#9670;&#160;</a></span>psi_</h2>
  
434 <div·class="memitem">434 <div·class="memitem">
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447 ··</td>447 ··</td>
448 ··<td·class="mlabels-right">448 ··<td·class="mlabels-right">
449 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>449 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
450 ··</tr>450 ··</tr>
451 </table>451 </table>
452 </div><div·class="memdoc">452 </div><div·class="memdoc">
  
453 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">peptideBuilder.h</a>.</p>453 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
454 </div>454 </div>
455 </div>455 </div>
456 <a·id="ad4ad8014196b9e1001f3ee1415f45c19"·name="ad4ad8014196b9e1001f3ee1415f45c19"></a>456 <a·id="ad4ad8014196b9e1001f3ee1415f45c19"·name="ad4ad8014196b9e1001f3ee1415f45c19"></a>
457 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4ad8014196b9e1001f3ee1415f45c19">&#9670;&#160;</a></span>type_</h2>457 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4ad8014196b9e1001f3ee1415f45c19">&#9670;&#160;</a></span>type_</h2>
  
458 <div·class="memitem">458 <div·class="memitem">
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471 ··</td>471 ··</td>
472 ··<td·class="mlabels-right">472 ··<td·class="mlabels-right">
473 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>473 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
474 ··</tr>474 ··</tr>
475 </table>475 </table>
476 </div><div·class="memdoc">476 </div><div·class="memdoc">
  
477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbe/a01706_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../db/dbe/a01706_source.html">peptideBuilder.h</a>.</p>477 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dbd/a01829_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d6/dbd/a01829_source.html">peptideBuilder.h</a>.</p>
  
478 </div>478 </div>
479 </div>479 </div>
480 </div><!--·contents·-->480 </div><!--·contents·-->
481 <!--·start·footer·part·-->481 <!--·start·footer·part·-->
482 <hr·class="footer"/><address·class="footer"><small>482 <hr·class="footer"/><address·class="footer"><small>
483 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8483 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d4/dcf/a07311.html">List·of·all·members</a>··</div>77 <a·href="../../d4/dcf/a07311.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSES·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSES·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TriangulatedSES:</div>83 Inheritance·diagram·for·BALL::TriangulatedSES:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d2/de5/a07314.png"·usemap="#BALL::TriangulatedSES_map"·alt=""/>86 ··<img·src="../../d2/de5/a07314.png"·usemap="#BALL::TriangulatedSES_map"·alt=""/>
87 ··<map·id="BALL::TriangulatedSES_map"·name="BALL::TriangulatedSES_map">87 ··<map·id="BALL::TriangulatedSES_map"·name="BALL::TriangulatedSES_map">
88 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>88 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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256 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>256 <tr·class="separator:a195049c060dc7a7ba550c95564ef1d13·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
257 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>257 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
258 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>258 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
259 </table>259 </table>
260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>260 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
261 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·Class.·&lt;&gt;·</p>261 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d2/de5/a07314.html">TriangulatedSES</a>·Class.·&lt;&gt;·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>263 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
264 <a·id="afeaae9823cb49d916165b14ce345b370"·name="afeaae9823cb49d916165b14ce345b370"></a>264 <a·id="afeaae9823cb49d916165b14ce345b370"·name="afeaae9823cb49d916165b14ce345b370"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#afeaae9823cb49d916165b14ce345b370">&#9670;&#160;</a></span>TriangulatedSES()·<span·class="overload">[1/3]</span></h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#afeaae9823cb49d916165b14ce345b370">&#9670;&#160;</a></span>TriangulatedSES()·<span·class="overload">[1/3]</span></h2>
  
266 <div·class="memitem">266 <div·class="memitem">
267 <div·class="memproto">267 <div·class="memproto">
268 ······<table·class="memname">268 ······<table·class="memname">
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514 ··</td>514 ··</td>
515 ··<td·class="mlabels-right">515 ··<td·class="mlabels-right">
516 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>516 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
517 ··</tr>517 ··</tr>
518 </table>518 </table>
519 </div><div·class="memdoc">519 </div><div·class="memdoc">
  
520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
521 </div>521 </div>
522 </div>522 </div>
523 <h2·class="groupheader">Member·Data·Documentation</h2>523 <h2·class="groupheader">Member·Data·Documentation</h2>
524 <a·id="abbc415967b94c8c14a8c00cd5b1e1c47"·name="abbc415967b94c8c14a8c00cd5b1e1c47"></a>524 <a·id="abbc415967b94c8c14a8c00cd5b1e1c47"·name="abbc415967b94c8c14a8c00cd5b1e1c47"></a>
525 <h2·class="memtitle"><span·class="permalink"><a·href="#abbc415967b94c8c14a8c00cd5b1e1c47">&#9670;&#160;</a></span>density_</h2>525 <h2·class="memtitle"><span·class="permalink"><a·href="#abbc415967b94c8c14a8c00cd5b1e1c47">&#9670;&#160;</a></span>density_</h2>
  
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539 ··</td>539 ··</td>
540 ··<td·class="mlabels-right">540 ··<td·class="mlabels-right">
541 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>541 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
542 ··</tr>542 ··</tr>
543 </table>543 </table>
544 </div><div·class="memdoc">544 </div><div·class="memdoc">
  
545 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>545 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
546 </div>546 </div>
547 </div>547 </div>
548 <a·id="a4bb3d592463d02e9ca9ce5fe1b857b1d"·name="a4bb3d592463d02e9ca9ce5fe1b857b1d"></a>548 <a·id="a4bb3d592463d02e9ca9ce5fe1b857b1d"·name="a4bb3d592463d02e9ca9ce5fe1b857b1d"></a>
549 <h2·class="memtitle"><span·class="permalink"><a·href="#a4bb3d592463d02e9ca9ce5fe1b857b1d">&#9670;&#160;</a></span>ses_</h2>549 <h2·class="memtitle"><span·class="permalink"><a·href="#a4bb3d592463d02e9ca9ce5fe1b857b1d">&#9670;&#160;</a></span>ses_</h2>
  
550 <div·class="memitem">550 <div·class="memitem">
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563 ··</td>563 ··</td>
564 ··<td·class="mlabels-right">564 ··<td·class="mlabels-right">
565 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>565 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
566 ··</tr>566 ··</tr>
567 </table>567 </table>
568 </div><div·class="memdoc">568 </div><div·class="memdoc">
  
569 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">triangulatedSES.h</a>.</p>569 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d63/a01877_source.html#l00147">147</a>·of·file·<a·class="el"·href="../../d9/d63/a01877_source.html">triangulatedSES.h</a>.</p>
  
570 </div>570 </div>
571 </div>571 </div>
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573 <!--·start·footer·part·-->573 <!--·start·footer·part·-->
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575 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8575 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·generalizedBornCase.h·File·Reference</title>8 <title>BALL:·amberBend.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">generalizedBornCase.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">amberBend.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;map&gt;</code><br·/> 
88 <code>#include·&lt;set&gt;</code><br·/> 
89 </div>84 </div>
90 <p><a·href="../../d2/de7/a00014_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/de7/a00014_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">86 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>88 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d55/a06478.html">BALL::GeneralizedBornModel</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a04938.html">BALL::AmberBend</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d35/a06482.html">BALL::GeneralizedBornModel::Option</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">amberBend.h</a>.</p>
  
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108 <hr·class="footer"/><address·class="footer"><small>120 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">energeticEvaluation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">buriedPolar.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;vector&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d2/dea/a02057_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d2/dea/a02057_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
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92 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">experiment.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">helpViewer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
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82 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d2/df3/a01085_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/df3/a01085_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
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98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
100 Typedefs</h2></td></tr> 
101 <tr><td·colspan="2"><div·class="groupHeader">Convenience·typedefs</div></td></tr> 
102 <tr><td·colspan="2"><div·class="groupText"><p>&lt;&gt;·</p> 
103 </div></td></tr> 
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105 <tr·class="separator:a97eea5b3769e23e7de1f1cdeb83c314e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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107 <tr·class="separator:ae52ce629adf68a48f51eb37b6f593466"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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111 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../d5/d45/a03887.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d45/a03887.html">List·of·all·members</a>··</div>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::GAMESSDatFile:</div>84 Inheritance·diagram·for·BALL::GAMESSDatFile:</div>
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86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d2/df3/a03890.png"·usemap="#BALL::GAMESSDatFile_map"·alt=""/>87 ··<img·src="../../d2/df3/a03890.png"·usemap="#BALL::GAMESSDatFile_map"·alt=""/>
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431 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>431 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
432 </table>432 </table>
433 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>433 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
434 <div·class="textblock"><p>GAMESSDat·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·input·and·output·.dat·files·for·the·GAMESS·quantum·chemistry·application.·</p>434 <div·class="textblock"><p>GAMESSDat·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·input·and·output·.dat·files·for·the·GAMESS·quantum·chemistry·application.·</p>
  
435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>435 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
436 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>436 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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438 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2a153b0f9191789d7bb4ab54f2850c5">&#9670;&#160;</a></span>GAMESSDatFile()·<span·class="overload">[1/2]</span></h2>438 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2a153b0f9191789d7bb4ab54f2850c5">&#9670;&#160;</a></span>GAMESSDatFile()·<span·class="overload">[1/2]</span></h2>
  
439 <div·class="memitem">439 <div·class="memitem">
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977 ··</tr>977 ··</tr>
978 </table>978 </table>
979 </div><div·class="memdoc">979 </div><div·class="memdoc">
  
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981 </div>981 </div>
982 </div>982 </div>
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998 ··</td>998 ··</td>
999 ··<td·class="mlabels-right">999 ··<td·class="mlabels-right">
1000 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1000 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1001 ··</tr>1001 ··</tr>
1002 </table>1002 </table>
1003 </div><div·class="memdoc">1003 </div><div·class="memdoc">
  
1004 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>1004 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
1005 </div>1005 </div>
1006 </div>1006 </div>
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1023 ··<td·class="mlabels-right">1023 ··<td·class="mlabels-right">
1024 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1024 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1025 ··</tr>1025 ··</tr>
1026 </table>1026 </table>
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1029 </div>1029 </div>
1030 </div>1030 </div>
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1048 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>1048 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
1049 ··</tr>1049 ··</tr>
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1053 </div>1053 </div>
1054 </div>1054 </div>
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1057 <div·class="memitem">1057 <div·class="memitem">
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1070 ··</td>1070 ··</td>
1071 ··<td·class="mlabels-right">1071 ··<td·class="mlabels-right">
1072 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1072 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1073 ··</tr>1073 ··</tr>
1074 </table>1074 </table>
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1080 <!--·start·footer·part·-->1080 <!--·start·footer·part·-->
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">vertex1.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">charmmEEF1.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/DATATYPE/vertex1.iC&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d2/df5/a00137_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d2/df5/a00137_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d12/a07510.html">BALL::VIEW::Vertex</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d30/a05346.html">BALL::CharmmEEF1</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d24/a05350.html">BALL::CharmmEEF1::Values</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da3/a05354.html">BALL::CharmmEEF1::Data</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
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93 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>99 </table>
99 </div><!--·contents·-->100 </div><!--·contents·-->
100 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/ddb/a06459.html">List·of·all·members</a>··</div>77 <a·href="../../d5/ddb/a06459.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ClaverieParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ClaverieParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a00053_source.html">BALL/SOLVATION/claverieParameter.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/SOLVATION/claverieParameter.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ClaverieParameter:</div>83 Inheritance·diagram·for·BALL::ClaverieParameter:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d2/df6/a06462.png"·usemap="#BALL::ClaverieParameter_map"·alt=""/>86 ··<img·src="../../d2/df6/a06462.png"·usemap="#BALL::ClaverieParameter_map"·alt=""/>
87 ··<map·id="BALL::ClaverieParameter_map"·name="BALL::ClaverieParameter_map">87 ··<map·id="BALL::ClaverieParameter_map"·name="BALL::ClaverieParameter_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,155,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,155,24"/>
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194 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>194 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
195 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>195 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
196 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>196 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
197 </table>197 </table>
198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>198 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
199 <div·class="textblock"><p><a·class="el"·href="../../d2/df6/a06462.html">ClaverieParameter</a>·class.·This·class·provides·the·parameters·needed·for·the·computation·of·van-der-Waals·interaction·energies·according·to·the·scheme·by·Huron·and·Claverie.·[missing:·units,·reference].·<b>Note:</b>·Dispersion·and·repulsion·terms·are·<b>not</b>·distinguished.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>199 <div·class="textblock"><p><a·class="el"·href="../../d2/df6/a06462.html">ClaverieParameter</a>·class.·This·class·provides·the·parameters·needed·for·the·computation·of·van-der-Waals·interaction·energies·according·to·the·scheme·by·Huron·and·Claverie.·[missing:·units,·reference].·<b>Note:</b>·Dispersion·and·repulsion·terms·are·<b>not</b>·distinguished.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">claverieParameter.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>201 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
202 <a·id="a2f5d8caaefba4e71f266d27c5294ccd4"·name="a2f5d8caaefba4e71f266d27c5294ccd4"></a>202 <a·id="a2f5d8caaefba4e71f266d27c5294ccd4"·name="a2f5d8caaefba4e71f266d27c5294ccd4"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f5d8caaefba4e71f266d27c5294ccd4">&#9670;&#160;</a></span>ClaverieParameter()·<span·class="overload">[1/3]</span></h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f5d8caaefba4e71f266d27c5294ccd4">&#9670;&#160;</a></span>ClaverieParameter()·<span·class="overload">[1/3]</span></h2>
  
204 <div·class="memitem">204 <div·class="memitem">
205 <div·class="memproto">205 <div·class="memproto">
206 ······<table·class="memname">206 ······<table·class="memname">
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516 ··</td>516 ··</td>
517 ··<td·class="mlabels-right">517 ··<td·class="mlabels-right">
518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>518 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
519 ··</tr>519 ··</tr>
520 </table>520 </table>
521 </div><div·class="memdoc">521 </div><div·class="memdoc">
  
522 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">claverieParameter.h</a>.</p>522 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
  
523 </div>523 </div>
524 </div>524 </div>
525 <a·id="ac6eced97af1768fbefaf0736e6dbadb1"·name="ac6eced97af1768fbefaf0736e6dbadb1"></a>525 <a·id="ac6eced97af1768fbefaf0736e6dbadb1"·name="ac6eced97af1768fbefaf0736e6dbadb1"></a>
526 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6eced97af1768fbefaf0736e6dbadb1">&#9670;&#160;</a></span>parameters_</h2>526 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6eced97af1768fbefaf0736e6dbadb1">&#9670;&#160;</a></span>parameters_</h2>
  
527 <div·class="memitem">527 <div·class="memitem">
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540 ··</td>540 ··</td>
541 ··<td·class="mlabels-right">541 ··<td·class="mlabels-right">
542 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>542 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
543 ··</tr>543 ··</tr>
544 </table>544 </table>
545 </div><div·class="memdoc">545 </div><div·class="memdoc">
  
546 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">claverieParameter.h</a>.</p>546 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">claverieParameter.h</a>.</p>
  
547 </div>547 </div>
548 </div>548 </div>
549 </div><!--·contents·-->549 </div><!--·contents·-->
550 <!--·start·footer·part·-->550 <!--·start·footer·part·-->
551 <hr·class="footer"/><address·class="footer"><small>551 <hr·class="footer"/><address·class="footer"><small>
552 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8552 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../db/d39/a05023.html">List·of·all·members</a>··</div>77 <a·href="../../db/d39/a05023.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::CharmmBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::CharmmBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/MOLMEC/CHARMM/charmmBend.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a00053_source.html">BALL/MOLMEC/CHARMM/charmmBend.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::CharmmBend:</div>83 Inheritance·diagram·for·BALL::CharmmBend:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d2/df7/a05026.png"·usemap="#BALL::CharmmBend_map"·alt=""/>86 ··<img·src="../../d2/df7/a05026.png"·usemap="#BALL::CharmmBend_map"·alt=""/>
87 ··<map·id="BALL::CharmmBend_map"·name="BALL::CharmmBend_map">87 ··<map·id="BALL::CharmmBend_map"·name="BALL::CharmmBend_map">
88 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>88 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>
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234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p>Charmm·bond·stretch·component·</p>239 <div·class="textblock"><p>Charmm·bond·stretch·component·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">charmmBend.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">charmmBend.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="a7da566eba5f2d18a5dfac9d99b383a38"·name="a7da566eba5f2d18a5dfac9d99b383a38"></a>242 <a·id="a7da566eba5f2d18a5dfac9d99b383a38"·name="a7da566eba5f2d18a5dfac9d99b383a38"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#a7da566eba5f2d18a5dfac9d99b383a38">&#9670;&#160;</a></span>CharmmBend()·<span·class="overload">[1/2]</span></h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#a7da566eba5f2d18a5dfac9d99b383a38">&#9670;&#160;</a></span>CharmmBend()·<span·class="overload">[1/2]</span></h2>
  
244 <div·class="memitem">244 <div·class="memitem">
245 <div·class="memproto">245 <div·class="memproto">
246 ······<table·class="memname">246 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d9/d4e/a04307.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d4e/a04307.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE3·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE3·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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89 <tr·class="separator:ac1b9b508f56e2b2455902b7abf1f2838"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac1b9b508f56e2b2455902b7abf1f2838"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a41ffd2ca1e04e84b240b7a80fb198f9b"·id="r_a41ffd2ca1e04e84b240b7a80fb198f9b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dfc/a04310.html#a41ffd2ca1e04e84b240b7a80fb198f9b">transformation_matrix</a>·[4]</td></tr>90 <tr·class="memitem:a41ffd2ca1e04e84b240b7a80fb198f9b"·id="r_a41ffd2ca1e04e84b240b7a80fb198f9b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dfc/a04310.html#a41ffd2ca1e04e84b240b7a80fb198f9b">transformation_matrix</a>·[4]</td></tr>
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92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00948">948</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00948">948</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="ac1b9b508f56e2b2455902b7abf1f2838"·name="ac1b9b508f56e2b2455902b7abf1f2838"></a>97 <a·id="ac1b9b508f56e2b2455902b7abf1f2838"·name="ac1b9b508f56e2b2455902b7abf1f2838"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1b9b508f56e2b2455902b7abf1f2838">&#9670;&#160;</a></span>record_name</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1b9b508f56e2b2455902b7abf1f2838">&#9670;&#160;</a></span>record_name</h2>
  
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103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE3::record_name</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE3::record_name</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00951">951</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00951">951</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
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125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
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129 <h2·class="memtitle"><span·class="permalink"><a·href="#a41ffd2ca1e04e84b240b7a80fb198f9b">&#9670;&#160;</a></span>transformation_matrix</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a41ffd2ca1e04e84b240b7a80fb198f9b">&#9670;&#160;</a></span>transformation_matrix</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE3::transformation_matrix[4]</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE3::transformation_matrix[4]</td>
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139 ······</table>139 ······</table>
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146 <tr·class="separator:aff88642245485cc081d70ec799b2891e·inherit·pub_methods_a06982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>146 <tr·class="separator:aff88642245485cc081d70ec799b2891e·inherit·pub_methods_a06982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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151 Protected·Member·Functions</h2></td></tr>151 Protected·Member·Functions</h2></td></tr>
152 <tr·class="memitem:a924e860f530fd390a39befe390d4eb7a"·id="r_a924e860f530fd390a39befe390d4eb7a"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d03/a06858.html#a924e860f530fd390a39befe390d4eb7a">mutate_impl_</a>·(<a·class="el"·href="../../dd/dde/a06982.html#ae3efa42931d2d5b99f7684c331a49770">MutatorOptions</a>·opt)</td></tr>152 <tr·class="memitem:a924e860f530fd390a39befe390d4eb7a"·id="r_a924e860f530fd390a39befe390d4eb7a"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d03/a06858.html#a924e860f530fd390a39befe390d4eb7a">mutate_impl_</a>·(<a·class="el"·href="../../dd/dde/a06982.html#ae3efa42931d2d5b99f7684c331a49770">MutatorOptions</a>·opt)</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/de1/a05687.html">List·of·all·members</a>··</div>78 <a·href="../../d2/de1/a05687.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongDataType·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongDataType·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::WrongDataType:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::WrongDataType:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d04/a05690.png"·usemap="#BALL::QSAR::Exception::WrongDataType_map"·alt=""/>87 ··<img·src="../../d3/d04/a05690.png"·usemap="#BALL::QSAR::Exception::WrongDataType_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::WrongDataType_map"·name="BALL::QSAR::Exception::WrongDataType_map">88 ··<map·id="BALL::QSAR::Exception::WrongDataType_map"·name="BALL::QSAR::Exception::WrongDataType_map">
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Wrong·type·of·input·data·for·a·model,·e.g.·non-discrete·y-values·for·a·classification·model·</p>143 <div·class="textblock"><p>Wrong·type·of·input·data·for·a·model,·e.g.·non-discrete·y-values·for·a·classification·model·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a9b3873494ac192f9246e99fa54181966"·name="a9b3873494ac192f9246e99fa54181966"></a>146 <a·id="a9b3873494ac192f9246e99fa54181966"·name="a9b3873494ac192f9246e99fa54181966"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9b3873494ac192f9246e99fa54181966">&#9670;&#160;</a></span>WrongDataType()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9b3873494ac192f9246e99fa54181966">&#9670;&#160;</a></span>WrongDataType()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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8 <title>BALL:·glOffscreenTarget.h·File·Reference</title>8 <title>BALL:·pyDatasetVector.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">glOffscreenTarget.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyDatasetVector.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/VIEW/DATATYPE/dataset.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../df/d95/a00299_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtGui/QPaintDevice&gt;</code><br·/> 
85 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../d3/d07/a00305_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/d07/a00305_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 </table>95 </table>
101 </div><!--·contents·-->96 </div><!--·contents·-->
102 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·INIFile.h·File·Reference</title>8 <title>BALL:·contourSurfaceDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">INIFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">contourSurfaceDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_contourSurfaceDialog.h&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d3/d07/a01301_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d07/a01301_source.html">Go·to·the·source·code·of·this·file.</a></p>
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89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d3a/a03930.html">BALL::INIFile::Section</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d08/a03934.html">BALL::INIFile::IteratorTraits_</a></td></tr> 
93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Interface·for·the·LineIterator.··<a·href="../../de/d08/a03934.html#details">More...</a><br·/></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>98 </table>
101 </div><!--·contents·-->99 </div><!--·contents·-->
102 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../d6/da8/a08227.html">List·of·all·members</a>··</div>78 <a·href="../../d6/da8/a08227.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NoDisplayListAvailable·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NoDisplayListAvailable·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NoDisplayListAvailable:</div>84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NoDisplayListAvailable:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d07/a08230.png"·usemap="#BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·alt=""/>87 ··<img·src="../../d3/d07/a08230.png"·usemap="#BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·alt=""/>
88 ··<map·id="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·name="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map">88 ··<map·id="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map"·name="BALL::VIEW::GLDisplayList::NoDisplayListAvailable_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d3/d07/a08230.html">NoDisplayListAvailable</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·should·be·internally·allocated·but·there·is·no·more·memory·available.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../d3/d07/a08230.html">NoDisplayListAvailable</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·should·be·internally·allocated·but·there·is·no·more·memory·available.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#a963cf1606db7d0d4e3ca4c03951a8b55">&#9670;&#160;</a></span>NoDisplayListAvailable()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a963cf1606db7d0d4e3ca4c03951a8b55">&#9670;&#160;</a></span>NoDisplayListAvailable()</h2>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d25/a05787.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d25/a05787.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::OPLSModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::OPLSModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d19/a00935_source.html">BALL/QSAR/oplsModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/QSAR/oplsModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::OPLSModel:</div>83 Inheritance·diagram·for·BALL::QSAR::OPLSModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/d09/a05790.png"·usemap="#BALL::QSAR::OPLSModel_map"·alt=""/>86 ··<img·src="../../d3/d09/a05790.png"·usemap="#BALL::QSAR::OPLSModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::OPLSModel_map"·name="BALL::QSAR::OPLSModel_map">87 ··<map·id="BALL::QSAR::OPLSModel_map"·name="BALL::QSAR::OPLSModel_map">
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290 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"·id="r_affba7da7e8ca3ee211a86c4d08774796"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>290 <tr·class="memitem:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"·id="r_affba7da7e8ca3ee211a86c4d08774796"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#affba7da7e8ca3ee211a86c4d08774796">weights_</a></td></tr>
291 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>291 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
292 </table>292 </table>
293 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>293 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
294 <div·class="textblock">294 <div·class="textblock">
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296 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>296 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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298 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d4b0c05073a8cf951ca404a94df98f">&#9670;&#160;</a></span>OPLSModel()</h2>298 <h2·class="memtitle"><span·class="permalink"><a·href="#a07d4b0c05073a8cf951ca404a94df98f">&#9670;&#160;</a></span>OPLSModel()</h2>
  
299 <div·class="memitem">299 <div·class="memitem">
300 <div·class="memproto">300 <div·class="memproto">
301 ······<table·class="memname">301 ······<table·class="memname">
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">HINFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">materialSettings.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_materialSettings.h&gt;</code><br·/>
 84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
 85 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d3/d0b/a01253_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/d0b/a01253_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d7e/a03914.html">BALL::HINFile</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7b/a07638.html">BALL::VIEW::MaterialSettings</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>100 </table>
96 </div><!--·contents·-->101 </div><!--·contents·-->
97 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>The·block·data·type·for·reading·and·writing·binary·data.··82 <p>The·block·data·type·for·reading·and·writing·binary·data.··
83 ·<a·href="../../d3/d11/a03582.html#details">More...</a></p>83 ·<a·href="../../d3/d11/a03582.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
87 Public·Attributes</h2></td></tr>87 Public·Attributes</h2></td></tr>
88 <tr·class="memitem:ad8cd9e66150b641825a45b11f8c5ba4c"·id="r_ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d11/a03582.html#ad8cd9e66150b641825a45b11f8c5ba4c">bt</a>·[1024]</td></tr>88 <tr·class="memitem:ad8cd9e66150b641825a45b11f8c5ba4c"·id="r_ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memItemLeft"·align="right"·valign="top">ValueType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d11/a03582.html#ad8cd9e66150b641825a45b11f8c5ba4c">bt</a>·[1024]</td></tr>
89 <tr·class="separator:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ad8cd9e66150b641825a45b11f8c5ba4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>
93 struct·BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType</div><p>The·block·data·type·for·reading·and·writing·binary·data.·</p>93 struct·BALL::TRegularData2D&lt;·ValueType·&gt;::BlockValueType</div><p>The·block·data·type·for·reading·and·writing·binary·data.·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">regularData2D.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">regularData2D.h</a>.</p>
95 </div><h2·class="groupheader">Member·Data·Documentation</h2>95 </div><h2·class="groupheader">Member·Data·Documentation</h2>
96 <a·id="ad8cd9e66150b641825a45b11f8c5ba4c"·name="ad8cd9e66150b641825a45b11f8c5ba4c"></a>96 <a·id="ad8cd9e66150b641825a45b11f8c5ba4c"·name="ad8cd9e66150b641825a45b11f8c5ba4c"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8cd9e66150b641825a45b11f8c5ba4c">&#9670;&#160;</a></span>bt</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#ad8cd9e66150b641825a45b11f8c5ba4c">&#9670;&#160;</a></span>bt</h2>
  
98 <div·class="memitem">98 <div·class="memitem">
99 <div·class="memproto">99 <div·class="memproto">
100 <div·class="memtemplate">100 <div·class="memtemplate">
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106 ······<table·class="memname">106 ······<table·class="memname">
107 ········<tr>107 ········<tr>
108 ··········<td·class="memname">ValueType·<a·class="el"·href="../../db/d52/a03574.html">BALL::TRegularData2D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>108 ··········<td·class="memname">ValueType·<a·class="el"·href="../../db/d52/a03574.html">BALL::TRegularData2D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>
109 ········</tr>109 ········</tr>
110 ······</table>110 ······</table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6a/a00119_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../df/d6a/a00119_source.html">regularData2D.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d13/a00671_source.html#l00409">409</a>·of·file·<a·class="el"·href="../../d8/d13/a00671_source.html">regularData2D.h</a>.</p>
  
113 </div>113 </div>
114 </div>114 </div>
115 </div><!--·contents·-->115 </div><!--·contents·-->
116 <!--·start·footer·part·-->116 <!--·start·footer·part·-->
117 <hr·class="footer"/><address·class="footer"><small>117 <hr·class="footer"/><address·class="footer"><small>
118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8118 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·molecule.h·File·Reference</title>8 <title>BALL:·forwardIterator.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molecule.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">forwardIterator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/CONCEPT/baseIterator.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d3/d13/a00836_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d3/d13/a00836_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d73/a04542.html">BALL::Molecule</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1b/a03286.html">BALL::ConstForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d85/a03290.html">BALL::ForwardIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d6/dae/a04043.html">List·of·all·members</a>··</div>79 <a·href="../../d6/dae/a04043.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::EntryInformation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::EntryInformation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>
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114 <p>The·initial·step·length·used·in·the·line·search·</p>114 <p>The·initial·step·length·used·in·the·line·search·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">conjugateGradient.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">conjugateGradient.h</a>.</p>
  
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79 <a·href="#friends">Friends</a>·&#124;79 <a·href="#friends">Friends</a>·&#124;
80 <a·href="../../d2/dac/a05743.html">List·of·all·members</a>··</div>80 <a·href="../../d2/dac/a05743.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LatentVariableModel·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LatentVariableModel·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::QSAR::LatentVariableModel:</div>86 Inheritance·diagram·for·BALL::QSAR::LatentVariableModel:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d3/d16/a05746.png"·usemap="#BALL::QSAR::LatentVariableModel_map"·alt=""/>89 ··<img·src="../../d3/d16/a05746.png"·usemap="#BALL::QSAR::LatentVariableModel_map"·alt=""/>
90 ··<map·id="BALL::QSAR::LatentVariableModel_map"·name="BALL::QSAR::LatentVariableModel_map">90 ··<map·id="BALL::QSAR::LatentVariableModel_map"·name="BALL::QSAR::LatentVariableModel_map">
91 <area·href="../../d3/de0/a05738.html"·alt="BALL::QSAR::KPCRModel"·shape="rect"·coords="0,56,207,80"/>91 <area·href="../../d3/de0/a05738.html"·alt="BALL::QSAR::KPCRModel"·shape="rect"·coords="0,56,207,80"/>
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121 Friends</h2></td></tr>121 Friends</h2></td></tr>
122 <tr·class="memitem:ac0ebaabeb3d63ca894d3fc685e9bb856"·id="r_ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#ac0ebaabeb3d63ca894d3fc685e9bb856">RegressionValidation</a></td></tr>122 <tr·class="memitem:ac0ebaabeb3d63ca894d3fc685e9bb856"·id="r_ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d16/a05746.html#ac0ebaabeb3d63ca894d3fc685e9bb856">RegressionValidation</a></td></tr>
123 <tr·class="separator:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:ac0ebaabeb3d63ca894d3fc685e9bb856"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p>Interface-class·for·all·latente·variable·models·(PLS,·PCR,·...).·It·is·used·to·store·and·access·the·latente·variables·(PLS/PCR·components),·the·loading·matrix·and·the·weight·matrix·in·the·same·way·for·all·such·models.·</p>126 <div·class="textblock"><p>Interface-class·for·all·latente·variable·models·(PLS,·PCR,·...).·It·is·used·to·store·and·access·the·latente·variables·(PLS/PCR·components),·the·loading·matrix·and·the·weight·matrix·in·the·same·way·for·all·such·models.·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">latentVariableModel.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="a00b644e3549fa72d2a128024fa0f90b1"·name="a00b644e3549fa72d2a128024fa0f90b1"></a>129 <a·id="a00b644e3549fa72d2a128024fa0f90b1"·name="a00b644e3549fa72d2a128024fa0f90b1"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a00b644e3549fa72d2a128024fa0f90b1">&#9670;&#160;</a></span>LatentVariableModel()</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a00b644e3549fa72d2a128024fa0f90b1">&#9670;&#160;</a></span>LatentVariableModel()</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">latentVariableModel.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
226 </div>226 </div>
227 </div>227 </div>
228 <h2·class="groupheader">Member·Data·Documentation</h2>228 <h2·class="groupheader">Member·Data·Documentation</h2>
229 <a·id="a540d05fac070caf819246da5ff5a9976"·name="a540d05fac070caf819246da5ff5a9976"></a>229 <a·id="a540d05fac070caf819246da5ff5a9976"·name="a540d05fac070caf819246da5ff5a9976"></a>
230 <h2·class="memtitle"><span·class="permalink"><a·href="#a540d05fac070caf819246da5ff5a9976">&#9670;&#160;</a></span>latent_variables_</h2>230 <h2·class="memtitle"><span·class="permalink"><a·href="#a540d05fac070caf819246da5ff5a9976">&#9670;&#160;</a></span>latent_variables_</h2>
  
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245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
250 <p>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>250 <p>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>
  
251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">latentVariableModel.h</a>.</p>251 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
252 </div>252 </div>
253 </div>253 </div>
254 <a·id="a3a3dcb1145a7c2b864d1dee12a0cd8b3"·name="a3a3dcb1145a7c2b864d1dee12a0cd8b3"></a>254 <a·id="a3a3dcb1145a7c2b864d1dee12a0cd8b3"·name="a3a3dcb1145a7c2b864d1dee12a0cd8b3"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a3dcb1145a7c2b864d1dee12a0cd8b3">&#9670;&#160;</a></span>loadings_</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a3dcb1145a7c2b864d1dee12a0cd8b3">&#9670;&#160;</a></span>loadings_</h2>
  
256 <div·class="memitem">256 <div·class="memitem">
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270 ··<td·class="mlabels-right">270 ··<td·class="mlabels-right">
271 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>271 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
272 ··</tr>272 ··</tr>
273 </table>273 </table>
274 </div><div·class="memdoc">274 </div><div·class="memdoc">
275 <p>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>275 <p>The·loading-matrix·which·contains·one·loading·vector·in·each·column.·Each·loading·vector·contains·the·importance·of·each·feature·for·a·latente·variable.·</p>
  
276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">latentVariableModel.h</a>.</p>276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
277 </div>277 </div>
278 </div>278 </div>
279 <a·id="affba7da7e8ca3ee211a86c4d08774796"·name="affba7da7e8ca3ee211a86c4d08774796"></a>279 <a·id="affba7da7e8ca3ee211a86c4d08774796"·name="affba7da7e8ca3ee211a86c4d08774796"></a>
280 <h2·class="memtitle"><span·class="permalink"><a·href="#affba7da7e8ca3ee211a86c4d08774796">&#9670;&#160;</a></span>weights_</h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#affba7da7e8ca3ee211a86c4d08774796">&#9670;&#160;</a></span>weights_</h2>
  
281 <div·class="memitem">281 <div·class="memitem">
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295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
300 <p>The·weights-matrix·which·contains·one·weight·vector·in·each·column.·Each·weight·vector·contains·the·importance·of·each·latente·variable·for·modelling·the·result.·</p>300 <p>The·weights-matrix·which·contains·one·weight·vector·in·each·column.·Each·weight·vector·contains·the·importance·of·each·latente·variable·for·modelling·the·result.·</p>
  
301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">latentVariableModel.h</a>.</p>301 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d43/a00422_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d43/a00422_source.html">latentVariableModel.h</a>.</p>
  
302 </div>302 </div>
303 </div>303 </div>
304 </div><!--·contents·-->304 </div><!--·contents·-->
305 <!--·start·footer·part·-->305 <!--·start·footer·part·-->
306 <hr·class="footer"/><address·class="footer"><small>306 <hr·class="footer"/><address·class="footer"><small>
307 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8307 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
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76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">assignBondOrderProcessor.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">structure.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d0/d79/a01766_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;map&gt;</code><br·/> 
93 <code>#include·&lt;vector&gt;</code><br·/> 
94 </div> 
95 <p><a·href="../../d3/d19/a01847_source.html">Go·to·the·source·code·of·this·file.</a></p> 
96 <table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
98 Classes</h2></td></tr> 
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100 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Assignment·of·bond·orders·from·topology·information.··<a·href="../../dd/da3/a06634.html#details">More...</a><br·/></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a06638.html">BALL::AssignBondOrderProcessor::Option</a></td></tr> 
103 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d4/dcb/a06638.html"·title="Option·names.">Option</a>·names.··<a·href="../../d4/dcb/a06638.html#details">More...</a><br·/></td></tr> 
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d61/a06642.html">BALL::AssignBondOrderProcessor::Default</a></td></tr> 
106 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d8/d61/a06642.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d8/d61/a06642.html#details">More...</a><br·/></td></tr> 
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d93/a06646.html">BALL::AssignBondOrderProcessor::Algorithm</a></td></tr> 
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d5f/a04763.html">List·of·all·members</a>··</div>78 <a·href="../../de/d5f/a04763.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RingFinder·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RingFinder·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a7287f68b1d6d2e3061233ae8d85d6755"·id="r_a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">RingFinder</a>·()</td></tr>86 <tr·class="memitem:a7287f68b1d6d2e3061233ae8d85d6755"·id="r_a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#a7287f68b1d6d2e3061233ae8d85d6755">RingFinder</a>·()</td></tr>
87 <tr·class="memdesc:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<br·/></td></tr>87 <tr·class="memdesc:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<br·/></td></tr>
88 <tr·class="separator:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a7287f68b1d6d2e3061233ae8d85d6755"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ac9016795d75a2d915edb1e8efc56f48a"·id="r_ac9016795d75a2d915edb1e8efc56f48a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac9016795d75a2d915edb1e8efc56f48a">RingFinder</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·n)</td></tr>89 <tr·class="memitem:ac9016795d75a2d915edb1e8efc56f48a"·id="r_ac9016795d75a2d915edb1e8efc56f48a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac9016795d75a2d915edb1e8efc56f48a">RingFinder</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·n)</td></tr>
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102 <tr·class="separator:aefec48329498edf8b123a7b115156b8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:aefec48329498edf8b123a7b115156b8b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:ac2bbdf50f371aebf0a0214ae45059584"·id="r_ac2bbdf50f371aebf0a0214ae45059584"><td·class="memItemLeft"·align="right"·valign="top">const·std::vector&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac2bbdf50f371aebf0a0214ae45059584">getRingAtoms</a>·()·const</td></tr>103 <tr·class="memitem:ac2bbdf50f371aebf0a0214ae45059584"·id="r_ac2bbdf50f371aebf0a0214ae45059584"><td·class="memItemLeft"·align="right"·valign="top">const·std::vector&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d1e/a04766.html#ac2bbdf50f371aebf0a0214ae45059584">getRingAtoms</a>·()·const</td></tr>
104 <tr·class="separator:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:ac2bbdf50f371aebf0a0214ae45059584"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p>Helper·class·for·all·predicates·that·need·ring·information.·</p>107 <div·class="textblock"><p>Helper·class·for·all·predicates·that·need·ring·information.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00833">833</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00833">833</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a7287f68b1d6d2e3061233ae8d85d6755"·name="a7287f68b1d6d2e3061233ae8d85d6755"></a>110 <a·id="a7287f68b1d6d2e3061233ae8d85d6755"·name="a7287f68b1d6d2e3061233ae8d85d6755"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a7287f68b1d6d2e3061233ae8d85d6755">&#9670;&#160;</a></span>RingFinder()·<span·class="overload">[1/2]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a7287f68b1d6d2e3061233ae8d85d6755">&#9670;&#160;</a></span>RingFinder()·<span·class="overload">[1/2]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d6f/a04819.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d6f/a04819.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ConstantFunction&lt;·constant_template·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ConstantFunction&lt;·constant_template·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/MATHS/function.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d22/a00245_source.html">BALL/MATHS/function.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Function·realization</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Function·realization</div></td></tr>
86 <tr·class="memitem:ab860de335c2f16a73c2761ab22416801"·id="r_ab860de335c2f16a73c2761ab22416801"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d19/a01190.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d23/a04822.html#ab860de335c2f16a73c2761ab22416801">operator()</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>)·const</td></tr>86 <tr·class="memitem:ab860de335c2f16a73c2761ab22416801"·id="r_ab860de335c2f16a73c2761ab22416801"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d4d/a00620.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d23/a04822.html#ab860de335c2f16a73c2761ab22416801">operator()</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>)·const</td></tr>
87 <tr·class="separator:ab860de335c2f16a73c2761ab22416801"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab860de335c2f16a73c2761ab22416801"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;int·constant_template&gt;<br·/>90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;int·constant_template&gt;<br·/>
91 class·BALL::ConstantFunction&lt;·constant_template·&gt;</div><p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·function·class.·This·function·represents·a·constant·that·is·already·known·at·compile·time.·</p>91 class·BALL::ConstantFunction&lt;·constant_template·&gt;</div><p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·function·class.·This·function·represents·a·constant·that·is·already·known·at·compile·time.·</p>
  
92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">function.h</a>.</p>92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d22/a00245_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d6/d22/a00245_source.html">function.h</a>.</p>
93 </div><h2·class="groupheader">Member·Function·Documentation</h2>93 </div><h2·class="groupheader">Member·Function·Documentation</h2>
94 <a·id="ab860de335c2f16a73c2761ab22416801"·name="ab860de335c2f16a73c2761ab22416801"></a>94 <a·id="ab860de335c2f16a73c2761ab22416801"·name="ab860de335c2f16a73c2761ab22416801"></a>
95 <h2·class="memtitle"><span·class="permalink"><a·href="#ab860de335c2f16a73c2761ab22416801">&#9670;&#160;</a></span>operator()()</h2>95 <h2·class="memtitle"><span·class="permalink"><a·href="#ab860de335c2f16a73c2761ab22416801">&#9670;&#160;</a></span>operator()()</h2>
  
96 <div·class="memitem">96 <div·class="memitem">
97 <div·class="memproto">97 <div·class="memproto">
98 <div·class="memtemplate">98 <div·class="memtemplate">
99 template&lt;int·constant_template&gt;·</div>99 template&lt;int·constant_template&gt;·</div>
100 <table·class="mlabels">100 <table·class="mlabels">
101 ··<tr>101 ··<tr>
102 ··<td·class="mlabels-left">102 ··<td·class="mlabels-left">
103 ······<table·class="memname">103 ······<table·class="memname">
104 ········<tr>104 ········<tr>
105 ··········<td·class="memname"><a·class="el"·href="../../dc/d19/a01190.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d3/d23/a04822.html">BALL::ConstantFunction</a>&lt;·constant_template·&gt;::operator()·</td>105 ··········<td·class="memname"><a·class="el"·href="../../dc/d4d/a00620.html#aac36dac5eb210529000645a87a85b79c">BALL_INLINE</a>·<a·class="el"·href="../../de/ded/a09238.html">float</a>·<a·class="el"·href="../../d3/d23/a04822.html">BALL::ConstantFunction</a>&lt;·constant_template·&gt;::operator()·</td>
106 ··········<td>(</td>106 ··········<td>(</td>
107 ··········<td·class="paramtype"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td>107 ··········<td·class="paramtype"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td>
108 ··········<td·class="paramname"></td><td>)</td>108 ··········<td·class="paramname"></td><td>)</td>
109 ··········<td>·const</td>109 ··········<td>·const</td>
110 ········</tr>110 ········</tr>
111 ······</table>111 ······</table>
112 ··</td>112 ··</td>
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122 ··<table·class="params">122 ··<table·class="params">
123 ····<tr><td·class="paramname">x</td><td>the·point·where·to·evaluate·</td></tr>123 ····<tr><td·class="paramname">x</td><td>the·point·where·to·evaluate·</td></tr>
124 ··</table>124 ··</table>
125 ··</dd>125 ··</dd>
126 </dl>126 </dl>
127 <dl·class="section·return"><dt>Returns</dt><dd>the·function·value·</dd></dl>127 <dl·class="section·return"><dt>Returns</dt><dd>the·function·value·</dd></dl>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d04/a00713_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d1/d04/a00713_source.html">function.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d22/a00245_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d6/d22/a00245_source.html">function.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 </div><!--·contents·-->131 </div><!--·contents·-->
132 <!--·start·footer·part·-->132 <!--·start·footer·part·-->
133 <hr·class="footer"/><address·class="footer"><small>133 <hr·class="footer"/><address·class="footer"><small>
134 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8134 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="#properties">Properties</a>·&#124;82 <a·href="#properties">Properties</a>·&#124;
83 <a·href="../../d3/d11/a08359.html">List·of·all·members</a>··</div>83 <a·href="../../d3/d11/a08359.html">List·of·all·members</a>··</div>
84 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorButton·Class·Reference</div></div>84 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorButton·Class·Reference</div></div>
85 </div><!--header-->85 </div><!--header-->
86 <div·class="contents">86 <div·class="contents">
  
87 <p><code>#include·&lt;<a·class="el"·href="../../db/ddc/a00353_source.html">BALL/VIEW/WIDGETS/colorButton.h</a>&gt;</code></p>87 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a01076_source.html">BALL/VIEW/WIDGETS/colorButton.h</a>&gt;</code></p>
88 <div·class="dynheader">88 <div·class="dynheader">
89 Inheritance·diagram·for·BALL::VIEW::ColorButton:</div>89 Inheritance·diagram·for·BALL::VIEW::ColorButton:</div>
90 <div·class="dyncontent">90 <div·class="dyncontent">
91 ·<div·class="center">91 ·<div·class="center">
92 ··<img·src="../../d3/d25/a08362.png"·usemap="#BALL::VIEW::ColorButton_map"·alt=""/>92 ··<img·src="../../d3/d25/a08362.png"·usemap="#BALL::VIEW::ColorButton_map"·alt=""/>
93 ··<map·id="BALL::VIEW::ColorButton_map"·name="BALL::VIEW::ColorButton_map">93 ··<map·id="BALL::VIEW::ColorButton_map"·name="BALL::VIEW::ColorButton_map">
94 <area·href="../../dc/dc1/a20070.html"·alt="QPushButton"·shape="rect"·coords="0,0,152,24"/>94 <area·href="../../dc/dc1/a20070.html"·alt="QPushButton"·shape="rect"·coords="0,0,152,24"/>
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154 <tr·class="memitem:a311b7c81273f203d19f35ba048c1d11c"·id="r_a311b7c81273f203d19f35ba048c1d11c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a311b7c81273f203d19f35ba048c1d11c">color_</a></td></tr>154 <tr·class="memitem:a311b7c81273f203d19f35ba048c1d11c"·id="r_a311b7c81273f203d19f35ba048c1d11c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a311b7c81273f203d19f35ba048c1d11c">color_</a></td></tr>
155 <tr·class="separator:a311b7c81273f203d19f35ba048c1d11c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:a311b7c81273f203d19f35ba048c1d11c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 <tr·class="memitem:a6ce852d667893d303d68a507d036280c"·id="r_a6ce852d667893d303d68a507d036280c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a6ce852d667893d303d68a507d036280c">default_color_</a></td></tr>156 <tr·class="memitem:a6ce852d667893d303d68a507d036280c"·id="r_a6ce852d667893d303d68a507d036280c"><td·class="memItemLeft"·align="right"·valign="top">QColor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d25/a08362.html#a6ce852d667893d303d68a507d036280c">default_color_</a></td></tr>
157 <tr·class="separator:a6ce852d667893d303d68a507d036280c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:a6ce852d667893d303d68a507d036280c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 </table>158 </table>
159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>159 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
160 <div·class="textblock">160 <div·class="textblock">
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">colorButton.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
163 <a·id="a0336f7e6d6eae1d4961397c3a9237e72"·name="a0336f7e6d6eae1d4961397c3a9237e72"></a>163 <a·id="a0336f7e6d6eae1d4961397c3a9237e72"·name="a0336f7e6d6eae1d4961397c3a9237e72"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a0336f7e6d6eae1d4961397c3a9237e72">&#9670;&#160;</a></span>ColorButton()·<span·class="overload">[1/5]</span></h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a0336f7e6d6eae1d4961397c3a9237e72">&#9670;&#160;</a></span>ColorButton()·<span·class="overload">[1/5]</span></h2>
  
165 <div·class="memitem">165 <div·class="memitem">
166 <div·class="memproto">166 <div·class="memproto">
167 <table·class="mlabels">167 <table·class="mlabels">
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620 ··</td>620 ··</td>
621 ··<td·class="mlabels-right">621 ··<td·class="mlabels-right">
622 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>622 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
623 ··</tr>623 ··</tr>
624 </table>624 </table>
625 </div><div·class="memdoc">625 </div><div·class="memdoc">
  
626 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">colorButton.h</a>.</p>626 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
627 </div>627 </div>
628 </div>628 </div>
629 <h2·class="groupheader">Property·Documentation</h2>629 <h2·class="groupheader">Property·Documentation</h2>
630 <a·id="a311b7c81273f203d19f35ba048c1d11c"·name="a311b7c81273f203d19f35ba048c1d11c"></a>630 <a·id="a311b7c81273f203d19f35ba048c1d11c"·name="a311b7c81273f203d19f35ba048c1d11c"></a>
631 <h2·class="memtitle"><span·class="permalink"><a·href="#a311b7c81273f203d19f35ba048c1d11c">&#9670;&#160;</a></span>color_</h2>631 <h2·class="memtitle"><span·class="permalink"><a·href="#a311b7c81273f203d19f35ba048c1d11c">&#9670;&#160;</a></span>color_</h2>
  
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646 ··<td·class="mlabels-right">646 ··<td·class="mlabels-right">
647 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>647 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>
648 ··</tr>648 ··</tr>
649 </table>649 </table>
650 </div><div·class="memdoc">650 </div><div·class="memdoc">
  
651 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">colorButton.h</a>.</p>651 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
652 </div>652 </div>
653 </div>653 </div>
654 <a·id="a6ce852d667893d303d68a507d036280c"·name="a6ce852d667893d303d68a507d036280c"></a>654 <a·id="a6ce852d667893d303d68a507d036280c"·name="a6ce852d667893d303d68a507d036280c"></a>
655 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ce852d667893d303d68a507d036280c">&#9670;&#160;</a></span>default_color_</h2>655 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ce852d667893d303d68a507d036280c">&#9670;&#160;</a></span>default_color_</h2>
  
656 <div·class="memitem">656 <div·class="memitem">
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670 ··<td·class="mlabels-right">670 ··<td·class="mlabels-right">
671 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>671 <span·class="mlabels"><span·class="mlabel">read</span><span·class="mlabel">write</span></span>··</td>
672 ··</tr>672 ··</tr>
673 </table>673 </table>
674 </div><div·class="memdoc">674 </div><div·class="memdoc">
  
675 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddc/a00353_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../db/ddc/a00353_source.html">colorButton.h</a>.</p>675 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a01076_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d6/d80/a01076_source.html">colorButton.h</a>.</p>
  
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681 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8681 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d3f/a05571.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d3f/a05571.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PyIndexList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PyIndexList·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d48/a01472_source.html">BALL/PYTHON/EXTENSIONS/pyIndexList.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/PYTHON/EXTENSIONS/pyIndexList.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PyIndexList:</div>83 Inheritance·diagram·for·BALL::PyIndexList:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/d27/a05574.png"·alt=""/>86 ··<img·src="../../d3/d27/a05574.png"·alt=""/>
87 ·</div></div>87 ·</div></div>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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126 <tr·class="separator:a23e16b01d39ce44ab31195639b97b7be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a23e16b01d39ce44ab31195639b97b7be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 <tr·class="memitem:a9a12a072bfe49cac635982310184017b"·id="r_a9a12a072bfe49cac635982310184017b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d27/a05574.html">PyIndexList</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d27/a05574.html#a9a12a072bfe49cac635982310184017b">operator=</a>·(const·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·&gt;·&amp;idx_list)</td></tr>127 <tr·class="memitem:a9a12a072bfe49cac635982310184017b"·id="r_a9a12a072bfe49cac635982310184017b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d27/a05574.html">PyIndexList</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d27/a05574.html#a9a12a072bfe49cac635982310184017b">operator=</a>·(const·std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·&gt;·&amp;idx_list)</td></tr>
128 <tr·class="separator:a9a12a072bfe49cac635982310184017b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a9a12a072bfe49cac635982310184017b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Equivalent·for·an·STL::List·of·numbers/indices·in·Python.·This·is·used·to·express·both,·lits·and·arrays·of·signed/unsigned·integers·in·Python.·&lt;&gt;·</p>131 <div·class="textblock"><p>Equivalent·for·an·STL::List·of·numbers/indices·in·Python.·This·is·used·to·express·both,·lits·and·arrays·of·signed/unsigned·integers·in·Python.·&lt;&gt;·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">pyIndexList.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
133 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>133 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
134 <a·id="a9631cfe803ac7ea4a2c87c7167f54911"·name="a9631cfe803ac7ea4a2c87c7167f54911"></a>134 <a·id="a9631cfe803ac7ea4a2c87c7167f54911"·name="a9631cfe803ac7ea4a2c87c7167f54911"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a9631cfe803ac7ea4a2c87c7167f54911">&#9670;&#160;</a></span>ConstIterator</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a9631cfe803ac7ea4a2c87c7167f54911">&#9670;&#160;</a></span>ConstIterator</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 ······<table·class="memname">138 ······<table·class="memname">
139 ········<tr>139 ········<tr>
140 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::const_iterator·<a·class="el"·href="../../d3/d27/a05574.html#a9631cfe803ac7ea4a2c87c7167f54911">BALL::PyIndexList::ConstIterator</a></td>140 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::const_iterator·<a·class="el"·href="../../d3/d27/a05574.html#a9631cfe803ac7ea4a2c87c7167f54911">BALL::PyIndexList::ConstIterator</a></td>
141 ········</tr>141 ········</tr>
142 ······</table>142 ······</table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
144 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>144 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">pyIndexList.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <a·id="aac31da38414f8188352aa45962f6a231"·name="aac31da38414f8188352aa45962f6a231"></a>148 <a·id="aac31da38414f8188352aa45962f6a231"·name="aac31da38414f8188352aa45962f6a231"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#aac31da38414f8188352aa45962f6a231">&#9670;&#160;</a></span>Iterator</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#aac31da38414f8188352aa45962f6a231">&#9670;&#160;</a></span>Iterator</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
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159 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::iterator·<a·class="el"·href="../../d3/d27/a05574.html#aac31da38414f8188352aa45962f6a231">BALL::PyIndexList::Iterator</a></td>159 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;::iterator·<a·class="el"·href="../../d3/d27/a05574.html#aac31da38414f8188352aa45962f6a231">BALL::PyIndexList::Iterator</a></td>
160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
163 <p>Iterator·type.·</p>163 <p>Iterator·type.·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">pyIndexList.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <a·id="a7e07ed5f9e0fc3683f6e6d34d45f9d71"·name="a7e07ed5f9e0fc3683f6e6d34d45f9d71"></a>167 <a·id="a7e07ed5f9e0fc3683f6e6d34d45f9d71"·name="a7e07ed5f9e0fc3683f6e6d34d45f9d71"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e07ed5f9e0fc3683f6e6d34d45f9d71">&#9670;&#160;</a></span>PointerType</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e07ed5f9e0fc3683f6e6d34d45f9d71">&#9670;&#160;</a></span>PointerType</h2>
  
169 <div·class="memitem">169 <div·class="memitem">
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176 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a7e07ed5f9e0fc3683f6e6d34d45f9d71">BALL::PyIndexList::PointerType</a></td>176 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a7e07ed5f9e0fc3683f6e6d34d45f9d71">BALL::PyIndexList::PointerType</a></td>
177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
180 <p>Pointer·type·</p>180 <p>Pointer·type·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">pyIndexList.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <a·id="a40650efeab7334f8237854551a1e1e36"·name="a40650efeab7334f8237854551a1e1e36"></a>184 <a·id="a40650efeab7334f8237854551a1e1e36"·name="a40650efeab7334f8237854551a1e1e36"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#a40650efeab7334f8237854551a1e1e36">&#9670;&#160;</a></span>ValueType</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a40650efeab7334f8237854551a1e1e36">&#9670;&#160;</a></span>ValueType</h2>
  
186 <div·class="memitem">186 <div·class="memitem">
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193 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a40650efeab7334f8237854551a1e1e36">BALL::PyIndexList::ValueType</a></td>193 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·<a·class="el"·href="../../d3/d27/a05574.html#a40650efeab7334f8237854551a1e1e36">BALL::PyIndexList::ValueType</a></td>
194 ········</tr>194 ········</tr>
195 ······</table>195 ······</table>
196 </div><div·class="memdoc">196 </div><div·class="memdoc">
197 <p>Index·type·</p>197 <p>Index·type·</p>
  
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d48/a01472_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d2/d48/a01472_source.html">pyIndexList.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">pyIndexList.h</a>.</p>
  
199 </div>199 </div>
200 </div>200 </div>
201 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>201 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
202 <a·id="aa67ef68035ff268dc350b00535017a4b"·name="aa67ef68035ff268dc350b00535017a4b"></a>202 <a·id="aa67ef68035ff268dc350b00535017a4b"·name="aa67ef68035ff268dc350b00535017a4b"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#aa67ef68035ff268dc350b00535017a4b">&#9670;&#160;</a></span>PyIndexList()·<span·class="overload">[1/6]</span></h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#aa67ef68035ff268dc350b00535017a4b">&#9670;&#160;</a></span>PyIndexList()·<span·class="overload">[1/6]</span></h2>
  
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77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d2/def/a06271.html">List·of·all·members</a>··</div>79 <a·href="../../d2/def/a06271.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::FresnoTypes·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::FresnoTypes·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
86 Public·Types</h2></td></tr>86 Public·Types</h2></td></tr>
87 <tr·class="memitem:a9c79930b34e3d77eec08ea0bd5369a42"·id="r_a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42">TypeAssignment</a>·{·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2">ASSIGNMENT__ELDRIDGE</a>87 <tr·class="memitem:a9c79930b34e3d77eec08ea0bd5369a42"·id="r_a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42">TypeAssignment</a>·{·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2">ASSIGNMENT__ELDRIDGE</a>
88 ,·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5">ASSIGNMENT__FRESNO</a>88 ,·<a·class="el"·href="../../d3/d28/a06274.html#a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5">ASSIGNMENT__FRESNO</a>
89 ·}</td></tr>89 ·}</td></tr>
90 <tr·class="separator:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a9c79930b34e3d77eec08ea0bd5369a42"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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112 <tr·class="memitem:a5d29583ba94bf67867e542cfc974dfdd"·id="r_a5d29583ba94bf67867e542cfc974dfdd"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a5d29583ba94bf67867e542cfc974dfdd">setup</a>·()</td></tr>112 <tr·class="memitem:a5d29583ba94bf67867e542cfc974dfdd"·id="r_a5d29583ba94bf67867e542cfc974dfdd"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a5d29583ba94bf67867e542cfc974dfdd">setup</a>·()</td></tr>
113 <tr·class="separator:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a5d29583ba94bf67867e542cfc974dfdd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:a0e1188bf176efbc8c09f06a5ee3f0798"·id="r_a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a0e1188bf176efbc8c09f06a5ee3f0798">getTypeMap</a>·()·const</td></tr>114 <tr·class="memitem:a0e1188bf176efbc8c09f06a5ee3f0798"·id="r_a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html#a0e1188bf176efbc8c09f06a5ee3f0798">getTypeMap</a>·()·const</td></tr>
115 <tr·class="separator:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a0e1188bf176efbc8c09f06a5ee3f0798"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">fresnoTypes.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
120 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>120 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
121 <a·id="a0ea96a0013a56c61151734e6ff3d7fd6"·name="a0ea96a0013a56c61151734e6ff3d7fd6"></a>121 <a·id="a0ea96a0013a56c61151734e6ff3d7fd6"·name="a0ea96a0013a56c61151734e6ff3d7fd6"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ea96a0013a56c61151734e6ff3d7fd6">&#9670;&#160;</a></span>FresnoType</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ea96a0013a56c61151734e6ff3d7fd6">&#9670;&#160;</a></span>FresnoType</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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144 </td></tr>144 </td></tr>
145 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"·name="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"></a>POLAR&#160;</td><td·class="fielddoc"><p>Polar·(non·H-bonding)·atoms.·Defined·as:·\begin{itemize}·\item·nitrogens·with·no·hydrogens·attached·and·more·than·two·bonds·\item·phosphorus·\item·sulphurs·attached·to·one·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·attached·to·two·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·in·nitriles·or·carbonyls·\item·nitrogens·with·no·hydrogens·and·four·binds·\item·flourine·atoms·\end{itemize}·</p>145 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"·name="a0ea96a0013a56c61151734e6ff3d7fd6acfdfc5eb93353c59a6c5855e1edeb2ea"></a>POLAR&#160;</td><td·class="fielddoc"><p>Polar·(non·H-bonding)·atoms.·Defined·as:·\begin{itemize}·\item·nitrogens·with·no·hydrogens·attached·and·more·than·two·bonds·\item·phosphorus·\item·sulphurs·attached·to·one·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·attached·to·two·or·more·polar·atoms·(including·H-bonding·atoms·and·excluding·polar·carbon·atoms·or·flourine·atoms)·\item·carbons·in·nitriles·or·carbonyls·\item·nitrogens·with·no·hydrogens·and·four·binds·\item·flourine·atoms·\end{itemize}·</p>
146 </td></tr>146 </td></tr>
147 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"·name="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"></a>METAL&#160;</td><td·class="fielddoc"><p>Metal·atoms.·</p>147 <tr><td·class="fieldname"><a·id="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"·name="a0ea96a0013a56c61151734e6ff3d7fd6a9a73112c97b7142762bedbde7b99f510"></a>METAL&#160;</td><td·class="fielddoc"><p>Metal·atoms.·</p>
148 </td></tr>148 </td></tr>
149 </table>149 </table>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">fresnoTypes.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
151 </div>151 </div>
152 </div>152 </div>
153 <a·id="a9c79930b34e3d77eec08ea0bd5369a42"·name="a9c79930b34e3d77eec08ea0bd5369a42"></a>153 <a·id="a9c79930b34e3d77eec08ea0bd5369a42"·name="a9c79930b34e3d77eec08ea0bd5369a42"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c79930b34e3d77eec08ea0bd5369a42">&#9670;&#160;</a></span>TypeAssignment</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c79930b34e3d77eec08ea0bd5369a42">&#9670;&#160;</a></span>TypeAssignment</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
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164 ······</table>164 ······</table>
165 </div><div·class="memdoc">165 </div><div·class="memdoc">
166 <table·class="fieldtable">166 <table·class="fieldtable">
167 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"·name="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"></a>ASSIGNMENT__ELDRIDGE&#160;</td><td·class="fielddoc"></td></tr>167 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"·name="a9c79930b34e3d77eec08ea0bd5369a42a4d1048829bff9688402ceb055d4a7ca2"></a>ASSIGNMENT__ELDRIDGE&#160;</td><td·class="fielddoc"></td></tr>
168 <tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"·name="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"></a>ASSIGNMENT__FRESNO&#160;</td><td·class="fielddoc"></td></tr>168 <tr><td·class="fieldname"><a·id="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"·name="a9c79930b34e3d77eec08ea0bd5369a42a08278390a4ac29c2fd59d86616a2f5b5"></a>ASSIGNMENT__FRESNO&#160;</td><td·class="fielddoc"></td></tr>
169 </table>169 </table>
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">fresnoTypes.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
173 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>173 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
174 <a·id="a331a427e313491ee4924aa4819912d2b"·name="a331a427e313491ee4924aa4819912d2b"></a>174 <a·id="a331a427e313491ee4924aa4819912d2b"·name="a331a427e313491ee4924aa4819912d2b"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a331a427e313491ee4924aa4819912d2b">&#9670;&#160;</a></span>FresnoTypes()</h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a331a427e313491ee4924aa4819912d2b">&#9670;&#160;</a></span>FresnoTypes()</h2>
  
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210 ··</td>210 ··</td>
211 ··<td·class="mlabels-right">211 ··<td·class="mlabels-right">
212 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>212 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
213 ··</tr>213 ··</tr>
214 </table>214 </table>
215 </div><div·class="memdoc">215 </div><div·class="memdoc">
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">fresnoTypes.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">fresnoTypes.h</a>.</p>
  
217 </div>217 </div>
218 </div>218 </div>
219 <h2·class="groupheader">Member·Function·Documentation</h2>219 <h2·class="groupheader">Member·Function·Documentation</h2>
220 <a·id="a0e1188bf176efbc8c09f06a5ee3f0798"·name="a0e1188bf176efbc8c09f06a5ee3f0798"></a>220 <a·id="a0e1188bf176efbc8c09f06a5ee3f0798"·name="a0e1188bf176efbc8c09f06a5ee3f0798"></a>
221 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e1188bf176efbc8c09f06a5ee3f0798">&#9670;&#160;</a></span>getTypeMap()</h2>221 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e1188bf176efbc8c09f06a5ee3f0798">&#9670;&#160;</a></span>getTypeMap()</h2>
  
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8 <title>BALL:·HBondModel.h·File·Reference</title>8 <title>BALL:·ringPerceptionProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">HBondModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">ringPerceptionProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/dc6/a01793_source.html">BALL/STRUCTURE/simpleMolecularGraph.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;stack&gt;</code><br·/>
 85 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>86 </div>
83 <p><a·href="../../d3/d29/a00419_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/d29/a00419_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">linearModel.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">CIFFile.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;map&gt;</code><br·/>
82 </div>86 </div>
83 <p><a·href="../../d3/d29/a00947_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/d29/a00947_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>105 Namespaces</h2></td></tr>
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>108 </table><table·class="memberdecls">
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:ab45d0e74c5682e547513a407ac99df80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>113 </table>
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 116 <h2·class="memtitle"><span·class="permalink"><a·href="#ab45d0e74c5682e547513a407ac99df80">&#9670;&#160;</a></span>CIFPARSER_LINE_LENGTH</h2>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLView·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLView·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::HTMLView:</div>84 Inheritance·diagram·for·BALL::VIEW::HTMLView:</div>
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86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::VIEW::HTMLView_map"·name="BALL::VIEW::HTMLView_map">88 ··<map·id="BALL::VIEW::HTMLView_map"·name="BALL::VIEW::HTMLView_map">
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99 <tr·class="separator:a924daa71b4233c2daf01f13e05c2c469"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a924daa71b4233c2daf01f13e05c2c469"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock">102 <div·class="textblock">
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d4e/a00329_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d4e/a00329_source.html">HTMLView.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a26c8267834036d44ab9ef14ee577e0d0"·name="a26c8267834036d44ab9ef14ee577e0d0"></a>105 <a·id="a26c8267834036d44ab9ef14ee577e0d0"·name="a26c8267834036d44ab9ef14ee577e0d0"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a26c8267834036d44ab9ef14ee577e0d0">&#9670;&#160;</a></span>HTMLView()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a26c8267834036d44ab9ef14ee577e0d0">&#9670;&#160;</a></span>HTMLView()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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8 <title>BALL:·typenameRuleProcessor.h·File·Reference</title>8 <title>BALL:·EFShiftProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">typenameRuleProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">EFShiftProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d3/d2d/a01625_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/d2d/a01625_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a05130.html">BALL::TypenameRuleProcessor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d03/a05466.html">BALL::EFShiftProcessor</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../d3/d31/a08542.html#details">More...</a></p>83 ·<a·href="../../d3/d31/a08542.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:ab5b83c980b33e375ebdec951ae9d2859"·id="r_ab5b83c980b33e375ebdec951ae9d2859"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d31/a08542.html#ab5b83c980b33e375ebdec951ae9d2859">SHOW_HYDROGENS</a></td></tr>88 <tr·class="memitem:ab5b83c980b33e375ebdec951ae9d2859"·id="r_ab5b83c980b33e375ebdec951ae9d2859"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d31/a08542.html#ab5b83c980b33e375ebdec951ae9d2859">SHOW_HYDROGENS</a></td></tr>
89 <tr·class="separator:ab5b83c980b33e375ebdec951ae9d2859"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab5b83c980b33e375ebdec951ae9d2859"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d3/d31/a08542.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">SDWidget.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">SDWidget.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="ab5b83c980b33e375ebdec951ae9d2859"·name="ab5b83c980b33e375ebdec951ae9d2859"></a>95 <a·id="ab5b83c980b33e375ebdec951ae9d2859"·name="ab5b83c980b33e375ebdec951ae9d2859"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ab5b83c980b33e375ebdec951ae9d2859">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ab5b83c980b33e375ebdec951ae9d2859">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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111 ··</td>111 ··</td>
112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">SDWidget.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">SDWidget.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/dc5/a07795.html">List·of·all·members</a>··</div>77 <a·href="../../d2/dc5/a07795.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConnectionObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d5/dfe/a02206.html">Widget·connectivity·and·message·queuing</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ConnectionObject·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../df/d4a/a02204.html">Kernel</a>·&raquo;·<a·class="el"·href="../../d5/dfe/a02206.html">Widget·connectivity·and·message·queuing</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::ConnectionObject:</div>83 Inheritance·diagram·for·BALL::VIEW::ConnectionObject:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/d43/a07798.png"·usemap="#BALL::VIEW::ConnectionObject_map"·alt=""/>86 ··<img·src="../../d3/d43/a07798.png"·usemap="#BALL::VIEW::ConnectionObject_map"·alt=""/>
87 ··<map·id="BALL::VIEW::ConnectionObject_map"·name="BALL::VIEW::ConnectionObject_map">87 ··<map·id="BALL::VIEW::ConnectionObject_map"·name="BALL::VIEW::ConnectionObject_map">
88 <area·href="../../d2/d34/a07814.html"·alt="BALL::VIEW::MainControl"·shape="rect"·coords="0,56,299,80"/>88 <area·href="../../d2/d34/a07814.html"·alt="BALL::VIEW::MainControl"·shape="rect"·coords="0,56,299,80"/>
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154 <tr·class="separator:a00aec3c38ca5b5d54b0b68c292ac80f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a00aec3c38ca5b5d54b0b68c292ac80f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 <tr·class="memitem:aca7060940415ccf193a13487f1b0a835"·id="r_aca7060940415ccf193a13487f1b0a835"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html#aca7060940415ccf193a13487f1b0a835">onNotify_</a>·(<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*message)</td></tr>155 <tr·class="memitem:aca7060940415ccf193a13487f1b0a835"·id="r_aca7060940415ccf193a13487f1b0a835"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html#aca7060940415ccf193a13487f1b0a835">onNotify_</a>·(<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*message)</td></tr>
156 <tr·class="separator:aca7060940415ccf193a13487f1b0a835"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:aca7060940415ccf193a13487f1b0a835"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock"><p>Base·class·for·all·widgets·and·dialogs·that·handles·communication·through·message·posting.·There·are·methods·that·handle·the·registering·process·between·the·classes·that·should·be·connected·as·well·as·notifying·methods·that·are·responsible·for·posting·messages.·The·registering·process·will·be·handled·by·the·interface·of·every·dialog·and·widget.·In·this·process·a·tree·will·be·created·that·connects·all·connectionObject·objects.·See·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·for·further·information·concerning·widget·and·dialog·interface·definition.·The·widgets·communicate·with·the·help·of·the·method·notify_.·With·this·method·a·message·can·be·sent·through·the·connectionObject·tree.·One·connectionObject·will·be·the·root·of·this·tree·and·therefore·responsible·for·handling·and·sending·all·incoming·messages.·A·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·will·first·be·sent·to·the·root·of·the·connectionObject·tree·and·then·will·travers·its·way·down·to·every·leaf·excluding·the·one·that·had·sent·the·original·message.·If·an·incoming·message·triggers·a·reply·message·(in·the·onNotify·method)·that·new·message·will·be·stored·in·a·message·queue·in·the·root·of·the·tree·and·executed·if·the·first·message·has·traversed·all·leafs·of·the·tree.·Therefore·a·message·should·always·be·created·with·the·new·command·and·the·flag·deletable·must·be·set·to·<b>·true</b>.·If·a·message·if·statically·created·in·the·<b>·onNotify</b>·method·there·is·the·possibility·that·the·message·is·already·destroyed·when·it·should·be·processed.·</p>159 <div·class="textblock"><p>Base·class·for·all·widgets·and·dialogs·that·handles·communication·through·message·posting.·There·are·methods·that·handle·the·registering·process·between·the·classes·that·should·be·connected·as·well·as·notifying·methods·that·are·responsible·for·posting·messages.·The·registering·process·will·be·handled·by·the·interface·of·every·dialog·and·widget.·In·this·process·a·tree·will·be·created·that·connects·all·connectionObject·objects.·See·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget</a>·for·further·information·concerning·widget·and·dialog·interface·definition.·The·widgets·communicate·with·the·help·of·the·method·notify_.·With·this·method·a·message·can·be·sent·through·the·connectionObject·tree.·One·connectionObject·will·be·the·root·of·this·tree·and·therefore·responsible·for·handling·and·sending·all·incoming·messages.·A·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·will·first·be·sent·to·the·root·of·the·connectionObject·tree·and·then·will·travers·its·way·down·to·every·leaf·excluding·the·one·that·had·sent·the·original·message.·If·an·incoming·message·triggers·a·reply·message·(in·the·onNotify·method)·that·new·message·will·be·stored·in·a·message·queue·in·the·root·of·the·tree·and·executed·if·the·first·message·has·traversed·all·leafs·of·the·tree.·Therefore·a·message·should·always·be·created·with·the·new·command·and·the·flag·deletable·must·be·set·to·<b>·true</b>.·If·a·message·if·statically·created·in·the·<b>·onNotify</b>·method·there·is·the·possibility·that·the·message·is·already·destroyed·when·it·should·be·processed.·</p>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dc8/a00242_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d2/dc8/a00242_source.html">connectionObject.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">connectionObject.h</a>.</p>
161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
162 <a·id="aa63cb45800a41bcba93c92cb091c4871"·name="aa63cb45800a41bcba93c92cb091c4871"></a>162 <a·id="aa63cb45800a41bcba93c92cb091c4871"·name="aa63cb45800a41bcba93c92cb091c4871"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#aa63cb45800a41bcba93c92cb091c4871">&#9670;&#160;</a></span>ConnectionObject()</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#aa63cb45800a41bcba93c92cb091c4871">&#9670;&#160;</a></span>ConnectionObject()</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
165 <div·class="memproto">165 <div·class="memproto">
166 ······<table·class="memname">166 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d63/a07083.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d63/a07083.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_:</div>84 Inheritance·diagram·for·BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d45/a07086.png"·alt=""/>87 ··<img·src="../../d3/d45/a07086.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
91 Public·Member·Functions</h2></td></tr>91 Public·Member·Functions</h2></td></tr>
92 <tr·class="memitem:aad9b1064d59c135b68b09898dfe69ac8"·id="r_aad9b1064d59c135b68b09898dfe69ac8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html#aad9b1064d59c135b68b09898dfe69ac8">operator()</a>·(const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r1,·const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r2)</td></tr>92 <tr·class="memitem:aad9b1064d59c135b68b09898dfe69ac8"·id="r_aad9b1064d59c135b68b09898dfe69ac8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html#aad9b1064d59c135b68b09898dfe69ac8">operator()</a>·(const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r1,·const·<a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·&amp;r2)</td></tr>
93 <tr·class="separator:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:aad9b1064d59c135b68b09898dfe69ac8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">residueRotamerSet.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">residueRotamerSet.h</a>.</p>
98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="aad9b1064d59c135b68b09898dfe69ac8"·name="aad9b1064d59c135b68b09898dfe69ac8"></a>99 <a·id="aad9b1064d59c135b68b09898dfe69ac8"·name="aad9b1064d59c135b68b09898dfe69ac8"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#aad9b1064d59c135b68b09898dfe69ac8">&#9670;&#160;</a></span>operator()()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#aad9b1064d59c135b68b09898dfe69ac8">&#9670;&#160;</a></span>operator()()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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127 ··</td>127 ··</td>
128 ··<td·class="mlabels-right">128 ··<td·class="mlabels-right">
129 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>129 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
130 ··</tr>130 ··</tr>
131 </table>131 </table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">residueRotamerSet.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d66/a01856_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../da/d66/a01856_source.html">residueRotamerSet.h</a>.</p>
  
134 </div>134 </div>
135 </div>135 </div>
136 </div><!--·contents·-->136 </div><!--·contents·-->
137 <!--·start·footer·part·-->137 <!--·start·footer·part·-->
138 <hr·class="footer"/><address·class="footer"><small>138 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·gridBasedScoring.h·File·Reference</title>8 <title>BALL:·polarSolvation.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">gridBasedScoring.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">polarSolvation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code><br·/>
84 <code>#include·&lt;set&gt;</code><br·/> 
85 <code>#include·&lt;map&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../d3/d48/a02069_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d48/a02069_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>88 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d40/a06134.html">BALL::GridBasedScoring</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d59/a06346.html">BALL::PolarSolvation</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de0/a06138.html">BALL::GridBasedScoring::Option</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1c/a06350.html">BALL::PolarSolvation::Option</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d2a/a06142.html">BALL::GridBasedScoring::Default</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/df9/a06354.html">BALL::PolarSolvation::Default</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html">BALL::GridBasedScoring::GridSetsResult</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
101 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>100 </table>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d69/a04679.html">List·of·all·members</a>··</div>78 <a·href="../../de/d69/a04679.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructurePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SecondaryStructurePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SecondaryStructurePredicate:</div>84 Inheritance·diagram·for·BALL::SecondaryStructurePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d49/a04682.png"·usemap="#BALL::SecondaryStructurePredicate_map"·alt=""/>87 ··<img·src="../../d3/d49/a04682.png"·usemap="#BALL::SecondaryStructurePredicate_map"·alt=""/>
88 ··<map·id="BALL::SecondaryStructurePredicate_map"·name="BALL::SecondaryStructurePredicate_map">88 ··<map·id="BALL::SecondaryStructurePredicate_map"·name="BALL::SecondaryStructurePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,217,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,217,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·secondary·structures.·Returns·<code>true</code>,·if·the·name·of·the·secondary·structure·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·secondary·structures.·Returns·<code>true</code>,·if·the·name·of·the·secondary·structure·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="ae9b840010a0e5ef52d1e1a327911b8e4"·name="ae9b840010a0e5ef52d1e1a327911b8e4"></a>134 <a·id="ae9b840010a0e5ef52d1e1a327911b8e4"·name="ae9b840010a0e5ef52d1e1a327911b8e4"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#ae9b840010a0e5ef52d1e1a327911b8e4">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#ae9b840010a0e5ef52d1e1a327911b8e4">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="../../db/dcd/a08563.html">List·of·all·members</a>··</div>80 <a·href="../../db/dcd/a08563.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/de0/a00317_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget:</div>86 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d3/d4a/a08566.png"·usemap="#BALL::VIEW::TextEditorWidget_map"·alt=""/>89 ··<img·src="../../d3/d4a/a08566.png"·usemap="#BALL::VIEW::TextEditorWidget_map"·alt=""/>
90 ··<map·id="BALL::VIEW::TextEditorWidget_map"·name="BALL::VIEW::TextEditorWidget_map">90 ··<map·id="BALL::VIEW::TextEditorWidget_map"·name="BALL::VIEW::TextEditorWidget_map">
91 <area·href="../../d6/d33/a20322.html"·alt="QPlainTextEdit"·shape="rect"·coords="0,0,180,24"/>91 <area·href="../../d6/d33/a20322.html"·alt="QPlainTextEdit"·shape="rect"·coords="0,0,180,24"/>
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111 Protected·Member·Functions</h2></td></tr>111 Protected·Member·Functions</h2></td></tr>
112 <tr·class="memitem:a74a65f813729e59ef4ec87406fd71bd7"·id="r_a74a65f813729e59ef4ec87406fd71bd7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4a/a08566.html#a74a65f813729e59ef4ec87406fd71bd7">resizeEvent</a>·(QResizeEvent·*event)</td></tr>112 <tr·class="memitem:a74a65f813729e59ef4ec87406fd71bd7"·id="r_a74a65f813729e59ef4ec87406fd71bd7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4a/a08566.html#a74a65f813729e59ef4ec87406fd71bd7">resizeEvent</a>·(QResizeEvent·*event)</td></tr>
113 <tr·class="separator:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a74a65f813729e59ef4ec87406fd71bd7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 </table>114 </table>
115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
116 <div·class="textblock"><p>This·widget·can·be·used·for·displaying·or·editing·text.·This·class·is·heavily·based·on·the·Qt·CodeEditor·example.·</p>116 <div·class="textblock"><p>This·widget·can·be·used·for·displaying·or·editing·text.·This·class·is·heavily·based·on·the·Qt·CodeEditor·example.·</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/de0/a00317_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../da/de0/a00317_source.html">textEditorWidget.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">textEditorWidget.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"·name="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"></a>119 <a·id="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"·name="a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff">&#9670;&#160;</a></span>TextEditorWidget()</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a5cb5edb0f1aa6fb7f3fc1023b7f1a2ff">&#9670;&#160;</a></span>TextEditorWidget()</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 ······<table·class="memname">123 ······<table·class="memname">
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8 <title>BALL:·sdGenerator.h·File·Reference</title>8 <title>BALL:·structureMapper.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">sdGenerator.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">structureMapper.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/d46/a01739_source.html">BALL/STRUCTURE/ringAnalyser.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/>
85 <code>#include·&lt;vector&gt;</code><br·/>90 <code>#include·&lt;vector&gt;</code><br·/>
86 <code>#include·&lt;queue&gt;</code><br·/>91 <code>#include·&lt;map&gt;</code><br·/>
87 </div>92 </div>
88 <p><a·href="../../d3/d4c/a01724_source.html">Go·to·the·source·code·of·this·file.</a></p>93 <p><a·href="../../d3/d4c/a01724_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">94 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>96 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d5f/a07142.html">BALL::SDGenerator</a></td></tr>97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d6c/a07286.html">BALL::StructureMapper</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html">BALL::SDGenerator::Option</a></td></tr> 
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··<a·href="../../de/d85/a07146.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html">BALL::SDGenerator::Default</a></td></tr> 
98 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../df/ddd/a07150.html#details">More...</a><br·/></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html">BALL::SDGenerator::AtomComparator</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table><table·class="memberdecls">99 </table><table·class="memberdecls">
103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
104 Namespaces</h2></td></tr>101 Namespaces</h2></td></tr>
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>104 </table>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/deb/a08171.html">List·of·all·members</a>··</div>77 <a·href="../../dd/deb/a08171.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Line·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Line·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8a/a00599_source.html">BALL/VIEW/PRIMITIVES/line.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1c/a01397_source.html">BALL/VIEW/PRIMITIVES/line.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Line:</div>83 Inheritance·diagram·for·BALL::VIEW::Line:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/d4c/a08174.png"·usemap="#BALL::VIEW::Line_map"·alt=""/>86 ··<img·src="../../d3/d4c/a08174.png"·usemap="#BALL::VIEW::Line_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Line_map"·name="BALL::VIEW::Line_map">87 ··<map·id="BALL::VIEW::Line_map"·name="BALL::VIEW::Line_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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226 <li>color·-·the·color·of·the·line</li>226 <li>color·-·the·color·of·the·line</li>
227 <li>vertex1·-·the·first·vertex·of·the·line</li>227 <li>vertex1·-·the·first·vertex·of·the·line</li>
228 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d3/d4c/a08174.html">Line</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>228 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d3/d4c/a08174.html">Line</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
229 <dl·class="section·user"><dt></dt><dd></dd></dl>229 <dl·class="section·user"><dt></dt><dd></dd></dl>
230 </li>230 </li>
231 </ul>231 </ul>
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8a/a00599_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/d8a/a00599_source.html">line.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1c/a01397_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/d1c/a01397_source.html">line.h</a>.</p>
233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
234 <a·id="a514a4f45b0167ff1f5351474a003f573"·name="a514a4f45b0167ff1f5351474a003f573"></a>234 <a·id="a514a4f45b0167ff1f5351474a003f573"·name="a514a4f45b0167ff1f5351474a003f573"></a>
235 <h2·class="memtitle"><span·class="permalink"><a·href="#a514a4f45b0167ff1f5351474a003f573">&#9670;&#160;</a></span>Line()·<span·class="overload">[1/2]</span></h2>235 <h2·class="memtitle"><span·class="permalink"><a·href="#a514a4f45b0167ff1f5351474a003f573">&#9670;&#160;</a></span>Line()·<span·class="overload">[1/2]</span></h2>
  
236 <div·class="memitem">236 <div·class="memitem">
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8 <title>BALL:·electrostatic.h·File·Reference</title>8 <title>BALL:·gridedMM.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">electrostatic.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">gridedMM.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d3/d4e/a01991_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d4e/a01991_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d66/a06266.html">BALL::Electrostatic</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a06394.html">BALL::GridedMM</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·quaternion.h·File·Reference</title>8 <title>BALL:·system.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>·&#124; 
78 <a·href="#typedef-members">Typedefs</a>·&#124; 
79 <a·href="#func-members">Functions</a>··</div> 
80 ··<div·class="headertitle"><div·class="title">quaternion.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">system.doc·File·Reference</div></div>
81 </div><!--header-->72 </div><!--header-->
82 <div·class="contents">73 <div·class="contents">
83 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;Eigen/Geometry&gt;</code><br·/> 
86 <code>#include·&lt;iostream&gt;</code><br·/> 
87 </div> 
88 <p><a·href="../../d3/d4f/a00761_source.html">Go·to·the·source·code·of·this·file.</a></p> 
89 <table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
91 Classes</h2></td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a04890.html">BALL::TQuaternion&lt;·T·&gt;</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 </table><table·class="memberdecls"> 
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
96 Namespaces</h2></td></tr> 
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
101 Typedefs</h2></td></tr> 
102 <tr·class="memitem:adf956f63c74e2bb0a4786e2bae88d6a2"·id="r_adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d1/d0b/a04890.html">TQuaternion</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">BALL::Quaternion</a></td></tr> 
103 <tr·class="separator:adf956f63c74e2bb0a4786e2bae88d6a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 </table><table·class="memberdecls"> 
105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
106 Functions</h2></td></tr> 
107 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"·id="r_a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
108 <tr·class="memitem:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0ca47bf02b881f32a1cd4cdabc6a4d6d">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../d1/d0b/a04890.html">TQuaternion</a>&lt;·T·&gt;·&amp;q)</td></tr> 
109 <tr·class="separator:a0ca47bf02b881f32a1cd4cdabc6a4d6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
110 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"·id="r_a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
111 <tr·class="memitem:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a22b42c3a7e5fc6d847638f6c6e0231c3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d1/d0b/a04890.html">TQuaternion</a>&lt;·T·&gt;·&amp;q)</td></tr> 
112 <tr·class="separator:a22b42c3a7e5fc6d847638f6c6e0231c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
113 </table> 
114 </div><!--·contents·-->74 </div><!--·contents·-->
115 <!--·start·footer·part·-->75 <!--·start·footer·part·-->
116 <hr·class="footer"/><address·class="footer"><small>76 <hr·class="footer"/><address·class="footer"><small>
117 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/d2c/a06895.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d2c/a06895.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TransformationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TransformationProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::TransformationProcessor:</div>85 Inheritance·diagram·for·BALL::TransformationProcessor:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d3/d4f/a06898.png"·usemap="#BALL::TransformationProcessor_map"·alt=""/>88 ··<img·src="../../d3/d4f/a06898.png"·usemap="#BALL::TransformationProcessor_map"·alt=""/>
89 ··<map·id="BALL::TransformationProcessor_map"·name="BALL::TransformationProcessor_map">89 ··<map·id="BALL::TransformationProcessor_map"·name="BALL::TransformationProcessor_map">
90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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139 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>140 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
141 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p>Transformation·applicator.·This·applicator·executes·a·transformation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·transformation·may·be·given·in·the·constructor,·or·by·calling·setTransformation.·Applying·the·applicator·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·multiply·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(or·objects·derived·from·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>)·with·the·given·transformation·matrix.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>144 <div·class="textblock"><p>Transformation·applicator.·This·applicator·executes·a·transformation·on·each·atom·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·The·transformation·may·be·given·in·the·constructor,·or·by·calling·setTransformation.·Applying·the·applicator·to·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object·will·multiply·the·coordinates·of·each·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(or·objects·derived·from·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>)·with·the·given·transformation·matrix.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd5/a01886_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d9/dd5/a01886_source.html">geometricTransformations.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="af9533ecfc767406a00ba4340e3903376"·name="af9533ecfc767406a00ba4340e3903376"></a>147 <a·id="af9533ecfc767406a00ba4340e3903376"·name="af9533ecfc767406a00ba4340e3903376"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#af9533ecfc767406a00ba4340e3903376">&#9670;&#160;</a></span>TransformationProcessor()·<span·class="overload">[1/2]</span></h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#af9533ecfc767406a00ba4340e3903376">&#9670;&#160;</a></span>TransformationProcessor()·<span·class="overload">[1/2]</span></h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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280 ··</td>280 ··</td>
281 ··<td·class="mlabels-right">281 ··<td·class="mlabels-right">
282 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>282 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
283 ··</tr>283 ··</tr>
284 </table>284 </table>
285 </div><div·class="memdoc">285 </div><div·class="memdoc">
  
286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd5/a01886_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d9/dd5/a01886_source.html">geometricTransformations.h</a>.</p>286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd6/a01820_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d5/dd6/a01820_source.html">geometricTransformations.h</a>.</p>
  
287 </div>287 </div>
288 </div>288 </div>
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290 <!--·start·footer·part·-->290 <!--·start·footer·part·-->
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
72 </div>72 </div>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">solventDescriptor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">amberTorsion.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dc/de6/a00167_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d3/d52/a00023_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/d52/a00023_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2f/a06606.html">BALL::SolventAtomDescriptor</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d1b/a04950.html">BALL::AmberTorsion</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html">BALL::SolventDescriptor</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d68/a04954.html">BALL::AmberTorsion::SingleAmberTorsion</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
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94 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 </table><table·class="memberdecls">
 101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 102 Macros</h2></td></tr>
 103 <tr·class="memitem:a5c9b77f9707286e2c633ddb8ae8a6173"·id="r_a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d52/a00023.html#a5c9b77f9707286e2c633ddb8ae8a6173">AMBER_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr>
 104 <tr·class="memdesc:a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<br·/></td></tr>
 105 <tr·class="separator:a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>106 </table>
 107 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 108 <a·id="a5c9b77f9707286e2c633ddb8ae8a6173"·name="a5c9b77f9707286e2c633ddb8ae8a6173"></a>
 109 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c9b77f9707286e2c633ddb8ae8a6173">&#9670;&#160;</a></span>AMBER_TORSIONS_ENABLED</h2>
  
 110 <div·class="memitem">
 111 <div·class="memproto">
 112 ······<table·class="memname">
 113 ········<tr>
 114 ··········<td·class="memname">#define·AMBER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td>
 115 ········</tr>
 116 ······</table>
 117 </div><div·class="memdoc">
  
 118 <p>flag·to·enable·Torsions·</p>
  
 119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">amberTorsion.h</a>.</p>
  
 120 </div>
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98 </div><!--·contents·-->122 </div><!--·contents·-->
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78 ··<div·class="headertitle"><div·class="title">MOLFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">dockDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;BALL/VIEW/UIC/ui_dockDialog.h&gt;</code><br·/>
83 </div>88 </div>
84 <p><a·href="../../d3/d53/a01262_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d3/d53/a01262_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">90 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>92 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d56/a03982.html">BALL::MOLFile</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d6b/a07570.html">BALL::VIEW::DockDialog</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df2/a03986.html">BALL::MOLFile::Property</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d3b/a03990.html">BALL::MOLFile::CountsStruct</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc1/a03994.html">BALL::MOLFile::AtomStruct</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a03998.html">BALL::MOLFile::BondStruct</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
100 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>102 </table>
104 </div><!--·contents·-->103 </div><!--·contents·-->
105 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
106 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
108 </small></address>107 </small></address>
109 </body>108 </body>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../dc/d06/a05407.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d06/a05407.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Values·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Values·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ae75a3dfabdc86334f137d64ce4f1e251"·id="r_ae75a3dfabdc86334f137d64ce4f1e251"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html#ae75a3dfabdc86334f137d64ce4f1e251">theta0</a></td></tr>86 <tr·class="memitem:ae75a3dfabdc86334f137d64ce4f1e251"·id="r_ae75a3dfabdc86334f137d64ce4f1e251"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html#ae75a3dfabdc86334f137d64ce4f1e251">theta0</a></td></tr>
87 <tr·class="separator:ae75a3dfabdc86334f137d64ce4f1e251"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae75a3dfabdc86334f137d64ce4f1e251"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ae1fe4f3a1dc1ece7694489ede27f696e"·id="r_ae1fe4f3a1dc1ece7694489ede27f696e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html#ae1fe4f3a1dc1ece7694489ede27f696e">k</a></td></tr>88 <tr·class="memitem:ae1fe4f3a1dc1ece7694489ede27f696e"·id="r_ae1fe4f3a1dc1ece7694489ede27f696e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html#ae1fe4f3a1dc1ece7694489ede27f696e">k</a></td></tr>
89 <tr·class="separator:ae1fe4f3a1dc1ece7694489ede27f696e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ae1fe4f3a1dc1ece7694489ede27f696e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="ae1fe4f3a1dc1ece7694489ede27f696e"·name="ae1fe4f3a1dc1ece7694489ede27f696e"></a>95 <a·id="ae1fe4f3a1dc1ece7694489ede27f696e"·name="ae1fe4f3a1dc1ece7694489ede27f696e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1fe4f3a1dc1ece7694489ede27f696e">&#9670;&#160;</a></span>k</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1fe4f3a1dc1ece7694489ede27f696e">&#9670;&#160;</a></span>k</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::k</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::k</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="ae75a3dfabdc86334f137d64ce4f1e251"·name="ae75a3dfabdc86334f137d64ce4f1e251"></a>108 <a·id="ae75a3dfabdc86334f137d64ce4f1e251"·name="ae75a3dfabdc86334f137d64ce4f1e251"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ae75a3dfabdc86334f137d64ce4f1e251">&#9670;&#160;</a></span>theta0</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ae75a3dfabdc86334f137d64ce4f1e251">&#9670;&#160;</a></span>theta0</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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117 ······<table·class="memname">117 ······<table·class="memname">
118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::theta0</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticAngleBend::Values::theta0</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../de/d5d/a08415.html">List·of·all·members</a>··</div>79 <a·href="../../de/d5d/a08415.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLPage·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLPage·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d39/a00314_source.html">BALL/VIEW/WIDGETS/HTMLPage.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d6/dea/a01094_source.html">BALL/VIEW/WIDGETS/HTMLPage.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::HTMLPage:</div>85 Inheritance·diagram·for·BALL::VIEW::HTMLPage:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d3/d58/a08418.png"·usemap="#BALL::VIEW::HTMLPage_map"·alt=""/>88 ··<img·src="../../d3/d58/a08418.png"·usemap="#BALL::VIEW::HTMLPage_map"·alt=""/>
89 ··<map·id="BALL::VIEW::HTMLPage_map"·name="BALL::VIEW::HTMLPage_map">89 ··<map·id="BALL::VIEW::HTMLPage_map"·name="BALL::VIEW::HTMLPage_map">
90 <area·href="../../dd/dc5/a20178.html"·alt="QWebEnginePage"·shape="rect"·coords="0,0,149,24"/>90 <area·href="../../dd/dc5/a20178.html"·alt="QWebEnginePage"·shape="rect"·coords="0,0,149,24"/>
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110 <tr·class="memitem:a4b18290743a42b2ad5c5939c0a5a9062"·id="r_a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#a4b18290743a42b2ad5c5939c0a5a9062">javaScriptConsoleMessage</a>·(JavaScriptConsoleMessageLevel·level,·const·QString·&amp;message,·int·lineNumber,·const·QString·&amp;)·override</td></tr>110 <tr·class="memitem:a4b18290743a42b2ad5c5939c0a5a9062"·id="r_a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#a4b18290743a42b2ad5c5939c0a5a9062">javaScriptConsoleMessage</a>·(JavaScriptConsoleMessageLevel·level,·const·QString·&amp;message,·int·lineNumber,·const·QString·&amp;)·override</td></tr>
111 <tr·class="separator:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a4b18290743a42b2ad5c5939c0a5a9062"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 <tr·class="memitem:aef909bf146c10bcb993f6879c2b3fb29"·id="r_aef909bf146c10bcb993f6879c2b3fb29"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#aef909bf146c10bcb993f6879c2b3fb29">executeLink</a>·(const·QUrl·&amp;url)</td></tr>112 <tr·class="memitem:aef909bf146c10bcb993f6879c2b3fb29"·id="r_aef909bf146c10bcb993f6879c2b3fb29"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html#aef909bf146c10bcb993f6879c2b3fb29">executeLink</a>·(const·QUrl·&amp;url)</td></tr>
113 <tr·class="separator:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:aef909bf146c10bcb993f6879c2b3fb29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 </table>114 </table>
115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
116 <div·class="textblock">116 <div·class="textblock">
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d39/a00314_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d0/d39/a00314_source.html">HTMLPage.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dea/a01094_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d6/dea/a01094_source.html">HTMLPage.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="aef4a5de871ac586df22f73e8a720e4cb"·name="aef4a5de871ac586df22f73e8a720e4cb"></a>119 <a·id="aef4a5de871ac586df22f73e8a720e4cb"·name="aef4a5de871ac586df22f73e8a720e4cb"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#aef4a5de871ac586df22f73e8a720e4cb">&#9670;&#160;</a></span>HTMLPage()·<span·class="overload">[1/2]</span></h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#aef4a5de871ac586df22f73e8a720e4cb">&#9670;&#160;</a></span>HTMLPage()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·hydrogenBond.h·File·Reference</title>8 <title>BALL:·diffScoringFunction.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">hydrogenBond.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">diffScoringFunction.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
84 </div>83 </div>
85 <p><a·href="../../d3/d59/a01973_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/d59/a01973_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/da1/a06278.html">BALL::HydrogenBond</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d1e/a06126.html">BALL::DifferentiableScoringFunction</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d67/a06282.html">BALL::HydrogenBond::Option</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfd/a06286.html">BALL::HydrogenBond::Default</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/d13/a07671.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d13/a07671.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ParsedFunctionDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ParsedFunctionDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d44/a00527_source.html">BALL/VIEW/DIALOGS/parsedFunctionDialog.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dda/a01289_source.html">BALL/VIEW/DIALOGS/parsedFunctionDialog.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ParsedFunctionDialog:</div>84 Inheritance·diagram·for·BALL::VIEW::ParsedFunctionDialog:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d5b/a07674.png"·usemap="#BALL::VIEW::ParsedFunctionDialog_map"·alt=""/>87 ··<img·src="../../d3/d5b/a07674.png"·usemap="#BALL::VIEW::ParsedFunctionDialog_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ParsedFunctionDialog_map"·name="BALL::VIEW::ParsedFunctionDialog_map">88 ··<map·id="BALL::VIEW::ParsedFunctionDialog_map"·name="BALL::VIEW::ParsedFunctionDialog_map">
89 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,211,24"/>89 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,211,24"/>
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97 <tr·class="separator:a63bfc50ea498e95f947a9ef37ca99abc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a63bfc50ea498e95f947a9ef37ca99abc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:a18c411c6d845e12e2f2df618a48c773b"·id="r_a18c411c6d845e12e2f2df618a48c773b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d5b/a07674.html#a18c411c6d845e12e2f2df618a48c773b">~ParsedFunctionDialog</a>·()</td></tr>98 <tr·class="memitem:a18c411c6d845e12e2f2df618a48c773b"·id="r_a18c411c6d845e12e2f2df618a48c773b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d5b/a07674.html#a18c411c6d845e12e2f2df618a48c773b">~ParsedFunctionDialog</a>·()</td></tr>
99 <tr·class="separator:a18c411c6d845e12e2f2df618a48c773b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a18c411c6d845e12e2f2df618a48c773b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p>Dialog·to·visualise·a·parsed·function·</p>102 <div·class="textblock"><p>Dialog·to·visualise·a·parsed·function·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d44/a00527_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/d44/a00527_source.html">parsedFunctionDialog.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dda/a01289_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/dda/a01289_source.html">parsedFunctionDialog.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a63bfc50ea498e95f947a9ef37ca99abc"·name="a63bfc50ea498e95f947a9ef37ca99abc"></a>105 <a·id="a63bfc50ea498e95f947a9ef37ca99abc"·name="a63bfc50ea498e95f947a9ef37ca99abc"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a63bfc50ea498e95f947a9ef37ca99abc">&#9670;&#160;</a></span>ParsedFunctionDialog()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a63bfc50ea498e95f947a9ef37ca99abc">&#9670;&#160;</a></span>ParsedFunctionDialog()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 ······<table·class="memname">109 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/d63/a03459.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d63/a03459.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a9766cb85885f9ef41877890526c4b03e"·id="r_a9766cb85885f9ef41877890526c4b03e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#a9766cb85885f9ef41877890526c4b03e">BagContentWriter</a>·(<a·class="el"·href="../../d5/d35/a03454.html#a4e6274f86c6de0378cbd811b48f571a5">TreeDecomposition</a>·const·*td,·UndirectedGraph·const·*original_graph)</td></tr>87 <tr·class="memitem:a9766cb85885f9ef41877890526c4b03e"·id="r_a9766cb85885f9ef41877890526c4b03e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#a9766cb85885f9ef41877890526c4b03e">BagContentWriter</a>·(<a·class="el"·href="../../d5/d35/a03454.html#a4e6274f86c6de0378cbd811b48f571a5">TreeDecomposition</a>·const·*td,·UndirectedGraph·const·*original_graph)</td></tr>
88 <tr·class="separator:a9766cb85885f9ef41877890526c4b03e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a9766cb85885f9ef41877890526c4b03e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ab3ac74c5d23ee4be646cbdc7415a034b"·id="r_ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#ab3ac74c5d23ee4be646cbdc7415a034b">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d5/d35/a03454.html#a3d41f33d74546790acdddedd19d035c5">TreeDecompositionBag</a>·&amp;v)·const</td></tr>89 <tr·class="memitem:ab3ac74c5d23ee4be646cbdc7415a034b"·id="r_ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#ab3ac74c5d23ee4be646cbdc7415a034b">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d5/d35/a03454.html#a3d41f33d74546790acdddedd19d035c5">TreeDecompositionBag</a>·&amp;v)·const</td></tr>
90 <tr·class="separator:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ab3ac74c5d23ee4be646cbdc7415a034b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="memitem:aa0653f24f6e2b0d68d48b2b58dda939a"·id="r_aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#aa0653f24f6e2b0d68d48b2b58dda939a">original_graph_</a></td></tr>97 <tr·class="memitem:aa0653f24f6e2b0d68d48b2b58dda939a"·id="r_aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d66/a03462.html#aa0653f24f6e2b0d68d48b2b58dda939a">original_graph_</a></td></tr>
98 <tr·class="separator:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:aa0653f24f6e2b0d68d48b2b58dda939a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>101 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
102 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter</div><p>PropertyWriter·for·graphviz·output.·</p>102 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::BagContentWriter</div><p>PropertyWriter·for·graphviz·output.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a9766cb85885f9ef41877890526c4b03e"·name="a9766cb85885f9ef41877890526c4b03e"></a>105 <a·id="a9766cb85885f9ef41877890526c4b03e"·name="a9766cb85885f9ef41877890526c4b03e"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a9766cb85885f9ef41877890526c4b03e">&#9670;&#160;</a></span>BagContentWriter()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a9766cb85885f9ef41877890526c4b03e">&#9670;&#160;</a></span>BagContentWriter()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
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141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
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193 ··</td>193 ··</td>
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195 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>195 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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203 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b0afe035ca06e052e056f6fb92e0c2f">&#9670;&#160;</a></span>td_</h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b0afe035ca06e052e056f6fb92e0c2f">&#9670;&#160;</a></span>td_</h2>
  
204 <div·class="memitem">204 <div·class="memitem">
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219 ··</td>219 ··</td>
220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
  
225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>225 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
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231 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8231 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">advElectrostatic.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">scoreGridSet.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/>
82 </div>86 </div>
83 <p><a·href="../../d3/d67/a01958_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/d67/a01958_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>90 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/df6/a06194.html">BALL::AdvancedElectrostatic</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html">BALL::ScoreGridSet</a></td></tr>
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91 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table><table·class="memberdecls">
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 101 <tr·class="memitem:a8e1ef61b694681f35783ae622893441c"·id="r_a8e1ef61b694681f35783ae622893441c"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·vector&lt;·vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8e1ef61b694681f35783ae622893441c">BALL::ScoreGrid</a></td></tr>
 102 <tr·class="separator:a8e1ef61b694681f35783ae622893441c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>103 </table>
95 </div><!--·contents·-->104 </div><!--·contents·-->
96 <!--·start·footer·part·-->105 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>106 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>The·block·data·type·for·reading·and·writing·binary·data.··82 <p>The·block·data·type·for·reading·and·writing·binary·data.··
83 ·<a·href="../../d3/d6e/a03570.html#details">More...</a></p>83 ·<a·href="../../d3/d6e/a03570.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
87 Public·Attributes</h2></td></tr>87 Public·Attributes</h2></td></tr>
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89 <tr·class="separator:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab6e80e50b5f4ac5b862f007970b3629b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>92 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·ValueType&gt;<br·/>
93 struct·BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType</div><p>The·block·data·type·for·reading·and·writing·binary·data.·</p>93 struct·BALL::TRegularData1D&lt;·ValueType·&gt;::BlockValueType</div><p>The·block·data·type·for·reading·and·writing·binary·data.·</p>
  
94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d09/a00077_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../d1/d09/a00077_source.html">regularData1D.h</a>.</p>94 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">regularData1D.h</a>.</p>
95 </div><h2·class="groupheader">Member·Data·Documentation</h2>95 </div><h2·class="groupheader">Member·Data·Documentation</h2>
96 <a·id="ab6e80e50b5f4ac5b862f007970b3629b"·name="ab6e80e50b5f4ac5b862f007970b3629b"></a>96 <a·id="ab6e80e50b5f4ac5b862f007970b3629b"·name="ab6e80e50b5f4ac5b862f007970b3629b"></a>
97 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6e80e50b5f4ac5b862f007970b3629b">&#9670;&#160;</a></span>bt</h2>97 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6e80e50b5f4ac5b862f007970b3629b">&#9670;&#160;</a></span>bt</h2>
  
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106 ······<table·class="memname">106 ······<table·class="memname">
107 ········<tr>107 ········<tr>
108 ··········<td·class="memname">ValueType·<a·class="el"·href="../../d2/d6e/a03566.html">BALL::TRegularData1D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>108 ··········<td·class="memname">ValueType·<a·class="el"·href="../../d2/d6e/a03566.html">BALL::TRegularData1D</a>&lt;·ValueType·&gt;::BlockValueType::bt[1024]</td>
109 ········</tr>109 ········</tr>
110 ······</table>110 ······</table>
111 </div><div·class="memdoc">111 </div><div·class="memdoc">
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d09/a00077_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../d1/d09/a00077_source.html">regularData1D.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00353">353</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">regularData1D.h</a>.</p>
  
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114 </div>114 </div>
115 </div><!--·contents·-->115 </div><!--·contents·-->
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
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 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
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 77 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">qsar.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molFileFactory.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 82 </div>
 83 <p><a·href="../../d3/d7b/a00986_source.html">Go·to·the·source·code·of·this·file.</a></p>
 84 <table·class="memberdecls">
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 86 Classes</h2></td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dce/a04002.html">BALL::MolFileFactory</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 </table><table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 91 Namespaces</h2></td></tr>
 92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/d30/a05703.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d30/a05703.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongFileFormat·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::WrongFileFormat·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::WrongFileFormat:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::WrongFileFormat:</div>
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88 ··<map·id="BALL::QSAR::Exception::WrongFileFormat_map"·name="BALL::QSAR::Exception::WrongFileFormat_map">88 ··<map·id="BALL::QSAR::Exception::WrongFileFormat_map"·name="BALL::QSAR::Exception::WrongFileFormat_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,248,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,248,80"/>
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../db/d42/a07350.html">File</a>·format·observed·for·an·input·data·file·(sdf-file)·does·not·fit·the·expected·file·format·</p>143 <div·class="textblock"><p><a·class="el"·href="../../db/d42/a07350.html">File</a>·format·observed·for·an·input·data·file·(sdf-file)·does·not·fit·the·expected·file·format·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;·Struct·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::Triple&lt;·T1,·T2,·T3·&gt;·&gt;·Struct·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
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85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a235030c0c5fdd53eaf28c83e9ed6e1a8"·id="r_a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html#a235030c0c5fdd53eaf28c83e9ed6e1a8">operator()</a>·(const·<a·class="el"·href="../../de/d78/a03622.html">BALL::Triple</a>&lt;·T1,·T2,·T3·&gt;·&amp;s)·const</td></tr>86 <tr·class="memitem:a235030c0c5fdd53eaf28c83e9ed6e1a8"·id="r_a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d7f/a03522.html#a235030c0c5fdd53eaf28c83e9ed6e1a8">operator()</a>·(const·<a·class="el"·href="../../de/d78/a03622.html">BALL::Triple</a>&lt;·T1,·T2,·T3·&gt;·&amp;s)·const</td></tr>
87 <tr·class="separator:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a235030c0c5fdd53eaf28c83e9ed6e1a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3&gt;<br·/>90 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2,·typename·T3&gt;<br·/>
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92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>92 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
93 </div><h2·class="groupheader">Member·Function·Documentation</h2>93 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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95 <h2·class="memtitle"><span·class="permalink"><a·href="#a235030c0c5fdd53eaf28c83e9ed6e1a8">&#9670;&#160;</a></span>operator()()</h2>95 <h2·class="memtitle"><span·class="permalink"><a·href="#a235030c0c5fdd53eaf28c83e9ed6e1a8">&#9670;&#160;</a></span>operator()()</h2>
  
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121 </div>121 </div>
122 </div>122 </div>
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124 <!--·start·footer·part·-->124 <!--·start·footer·part·-->
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126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d5/d12/a03851.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d12/a03851.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Item·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Item·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/dad/a01235_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
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116 <tr·class="separator:a2b76215aba32a3c77aa2768df61527d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:a2b76215aba32a3c77aa2768df61527d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 <tr·class="memitem:a1244f23673f855739e6ed76f916fdbee"·id="r_a1244f23673f855739e6ed76f916fdbee"><td·class="memItemLeft"·align="right"·valign="top">std::pair&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#a1244f23673f855739e6ed76f916fdbee">entry</a></td></tr>117 <tr·class="memitem:a1244f23673f855739e6ed76f916fdbee"·id="r_a1244f23673f855739e6ed76f916fdbee"><td·class="memItemLeft"·align="right"·valign="top">std::pair&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html#a1244f23673f855739e6ed76f916fdbee">entry</a></td></tr>
118 <tr·class="separator:a1244f23673f855739e6ed76f916fdbee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:a1244f23673f855739e6ed76f916fdbee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p>Nested·class·for·the·dataitems·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>121 <div·class="textblock"><p>Nested·class·for·the·dataitems·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
124 <a·id="af16678774f74ebf59b3266e23e25ea79"·name="af16678774f74ebf59b3266e23e25ea79"></a>124 <a·id="af16678774f74ebf59b3266e23e25ea79"·name="af16678774f74ebf59b3266e23e25ea79"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#af16678774f74ebf59b3266e23e25ea79">&#9670;&#160;</a></span>Item()·<span·class="overload">[1/2]</span></h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#af16678774f74ebf59b3266e23e25ea79">&#9670;&#160;</a></span>Item()·<span·class="overload">[1/2]</span></h2>
  
126 <div·class="memitem">126 <div·class="memitem">
127 <div·class="memproto">127 <div·class="memproto">
128 ······<table·class="memname">128 ······<table·class="memname">
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329 ········<tr>329 ········<tr>
330 ··········<td·class="memname">std::pair&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::entry</td>330 ··········<td·class="memname">std::pair&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::entry</td>
331 ········</tr>331 ········</tr>
332 ······</table>332 ······</table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
334 <p>Stores·the·tag-value·pair·in·key·-·value·format·</p>334 <p>Stores·the·tag-value·pair·in·key·-·value·format·</p>
  
335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
336 </div>336 </div>
337 </div>337 </div>
338 <a·id="aa7289bdc38210d90a952a266e182b14e"·name="aa7289bdc38210d90a952a266e182b14e"></a>338 <a·id="aa7289bdc38210d90a952a266e182b14e"·name="aa7289bdc38210d90a952a266e182b14e"></a>
339 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7289bdc38210d90a952a266e182b14e">&#9670;&#160;</a></span>is_loop</h2>339 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7289bdc38210d90a952a266e182b14e">&#9670;&#160;</a></span>is_loop</h2>
  
340 <div·class="memitem">340 <div·class="memitem">
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345 ······<table·class="memname">345 ······<table·class="memname">
346 ········<tr>346 ········<tr>
347 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Item::is_loop</td>347 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Item::is_loop</td>
348 ········</tr>348 ········</tr>
349 ······</table>349 ······</table>
350 </div><div·class="memdoc">350 </div><div·class="memdoc">
  
351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
352 </div>352 </div>
353 </div>353 </div>
354 <a·id="a163f16e04710a314a7884b19803bbaa9"·name="a163f16e04710a314a7884b19803bbaa9"></a>354 <a·id="a163f16e04710a314a7884b19803bbaa9"·name="a163f16e04710a314a7884b19803bbaa9"></a>
355 <h2·class="memtitle"><span·class="permalink"><a·href="#a163f16e04710a314a7884b19803bbaa9">&#9670;&#160;</a></span>keys</h2>355 <h2·class="memtitle"><span·class="permalink"><a·href="#a163f16e04710a314a7884b19803bbaa9">&#9670;&#160;</a></span>keys</h2>
  
356 <div·class="memitem">356 <div·class="memitem">
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362 ········<tr>362 ········<tr>
363 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::keys</td>363 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::CIFFile::Item::keys</td>
364 ········</tr>364 ········</tr>
365 ······</table>365 ······</table>
366 </div><div·class="memdoc">366 </div><div·class="memdoc">
367 <p>Stores·all·loop·data·indices·Stores·all·raw·loop·data·</p>367 <p>Stores·all·loop·data·indices·Stores·all·raw·loop·data·</p>
  
368 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>368 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
369 </div>369 </div>
370 </div>370 </div>
371 <a·id="a2b76215aba32a3c77aa2768df61527d4"·name="a2b76215aba32a3c77aa2768df61527d4"></a>371 <a·id="a2b76215aba32a3c77aa2768df61527d4"·name="a2b76215aba32a3c77aa2768df61527d4"></a>
372 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b76215aba32a3c77aa2768df61527d4">&#9670;&#160;</a></span>values</h2>372 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b76215aba32a3c77aa2768df61527d4">&#9670;&#160;</a></span>values</h2>
  
373 <div·class="memitem">373 <div·class="memitem">
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379 ········<tr>379 ········<tr>
380 ··········<td·class="memname">std::vector&lt;std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·&gt;·BALL::CIFFile::Item::values</td>380 ··········<td·class="memname">std::vector&lt;std::vector&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·&gt;·BALL::CIFFile::Item::values</td>
381 ········</tr>381 ········</tr>
382 ······</table>382 ······</table>
383 </div><div·class="memdoc">383 </div><div·class="memdoc">
384 <p>Stores·the·loop·data·per·line·</p>384 <p>Stores·the·loop·data·per·line·</p>
  
385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>385 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
386 </div>386 </div>
387 </div>387 </div>
388 </div><!--·contents·-->388 </div><!--·contents·-->
389 <!--·start·footer·part·-->389 <!--·start·footer·part·-->
390 <hr·class="footer"/><address·class="footer"><small>390 <hr·class="footer"/><address·class="footer"><small>
391 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8391 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·assignBondOrderResultsDialog.h·File·Reference</title>8 <title>BALL:·chain.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">assignBondOrderResultsDialog.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">chain.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d3/d19/a01847_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/dfb/a00512_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code><br·/>
84 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderResultsDialog.h&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
86 <code>#include·&lt;map&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d3/d87/a00539_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d87/a00539_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d7c/a07526.html">BALL::VIEW::AssignBondOrderResultsDialog</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 98 Macros</h2></td></tr>
 99 <tr·class="memitem:a9dc8ffbe67ba9320537500a544a37a69"·id="r_a9dc8ffbe67ba9320537500a544a37a69"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a00539.html#a9dc8ffbe67ba9320537500a544a37a69">BALL_CHAIN_DEFAULT_NAME</a>&#160;&#160;&#160;'·'</td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a9dc8ffbe67ba9320537500a544a37a69"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
 102 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 103 <a·id="a9dc8ffbe67ba9320537500a544a37a69"·name="a9dc8ffbe67ba9320537500a544a37a69"></a>
 104 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dc8ffbe67ba9320537500a544a37a69">&#9670;&#160;</a></span>BALL_CHAIN_DEFAULT_NAME</h2>
  
 105 <div·class="memitem">
 106 <div·class="memproto">
 107 ······<table·class="memname">
 108 ········<tr>
 109 ··········<td·class="memname">#define·BALL_CHAIN_DEFAULT_NAME&#160;&#160;&#160;'·'</td>
 110 ········</tr>
 111 ······</table>
 112 </div><div·class="memdoc">
  
 113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d87/a00539_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d3/d87/a00539_source.html">chain.h</a>.</p>
  
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 115 </div>
102 </div><!--·contents·-->116 </div><!--·contents·-->
103 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../de/d67/a03487.html">List·of·all·members</a>··</div>78 <a·href="../../de/d67/a03487.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a80372d73aa33bc78389aeeb2e9d9e1ba"·id="r_a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a80372d73aa33bc78389aeeb2e9d9e1ba">g</a></td></tr>86 <tr·class="memitem:a80372d73aa33bc78389aeeb2e9d9e1ba"·id="r_a80372d73aa33bc78389aeeb2e9d9e1ba"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a80372d73aa33bc78389aeeb2e9d9e1ba">g</a></td></tr>
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88 <tr·class="memitem:a29b5c631c464df56e28c58315a02c6d9"·id="r_a29b5c631c464df56e28c58315a02c6d9"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a29b5c631c464df56e28c58315a02c6d9">h</a></td></tr>88 <tr·class="memitem:a29b5c631c464df56e28c58315a02c6d9"·id="r_a29b5c631c464df56e28c58315a02c6d9"><td·class="memItemLeft"·align="right"·valign="top">unsigned·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d87/a03490.html#a29b5c631c464df56e28c58315a02c6d9">h</a></td></tr>
89 <tr·class="separator:a29b5c631c464df56e28c58315a02c6d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a29b5c631c464df56e28c58315a02c6d9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:a5fd68358eb046e792e1fb049c4716d15"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a5fd68358eb046e792e1fb049c4716d15"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>97 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
98 template&lt;class·Lowerbound·=·MinorMinWidth,·class·Upperbound·=·GreedyX&lt;FillInHeuristic&gt;&gt;<br·/>98 template&lt;class·Lowerbound·=·MinorMinWidth,·class·Upperbound·=·GreedyX&lt;FillInHeuristic&gt;&gt;<br·/>
99 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState</div><p>a·single·vertex·in·the·search-tree·</p>99 struct·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::QuickBB&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState</div><p>a·single·vertex·in·the·search-tree·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00347">347</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
101 </div><h2·class="groupheader">Member·Data·Documentation</h2>101 </div><h2·class="groupheader">Member·Data·Documentation</h2>
102 <a·id="a9547a84da5f9f3b323541815c25870da"·name="a9547a84da5f9f3b323541815c25870da"></a>102 <a·id="a9547a84da5f9f3b323541815c25870da"·name="a9547a84da5f9f3b323541815c25870da"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a9547a84da5f9f3b323541815c25870da">&#9670;&#160;</a></span>f</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a9547a84da5f9f3b323541815c25870da">&#9670;&#160;</a></span>f</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <div·class="memtemplate">106 <div·class="memtemplate">
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114 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::f</td>114 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::f</td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
118 <p>best·lowerbound·for·this·state·</p>118 <p>best·lowerbound·for·this·state·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00362">362</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00362">362</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="a80372d73aa33bc78389aeeb2e9d9e1ba"·name="a80372d73aa33bc78389aeeb2e9d9e1ba"></a>122 <a·id="a80372d73aa33bc78389aeeb2e9d9e1ba"·name="a80372d73aa33bc78389aeeb2e9d9e1ba"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a80372d73aa33bc78389aeeb2e9d9e1ba">&#9670;&#160;</a></span>g</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a80372d73aa33bc78389aeeb2e9d9e1ba">&#9670;&#160;</a></span>g</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
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134 ········<tr>134 ········<tr>
135 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::g</td>135 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::g</td>
136 ········</tr>136 ········</tr>
137 ······</table>137 ······</table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
139 <p>width·of·the·permutation·along·the·path·from·the·root·</p>139 <p>width·of·the·permutation·along·the·path·from·the·root·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00352">352</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00352">352</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
141 </div>141 </div>
142 </div>142 </div>
143 <a·id="a29b5c631c464df56e28c58315a02c6d9"·name="a29b5c631c464df56e28c58315a02c6d9"></a>143 <a·id="a29b5c631c464df56e28c58315a02c6d9"·name="a29b5c631c464df56e28c58315a02c6d9"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a29b5c631c464df56e28c58315a02c6d9">&#9670;&#160;</a></span>h</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a29b5c631c464df56e28c58315a02c6d9">&#9670;&#160;</a></span>h</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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155 ········<tr>155 ········<tr>
156 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::h</td>156 ··········<td·class="memname">unsigned·int·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::h</td>
157 ········</tr>157 ········</tr>
158 ······</table>158 ······</table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
160 <p>lowerbound·of·g·</p>160 <p>lowerbound·of·g·</p>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
164 <a·id="a5fd68358eb046e792e1fb049c4716d15"·name="a5fd68358eb046e792e1fb049c4716d15"></a>164 <a·id="a5fd68358eb046e792e1fb049c4716d15"·name="a5fd68358eb046e792e1fb049c4716d15"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fd68358eb046e792e1fb049c4716d15">&#9670;&#160;</a></span>permutation</h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fd68358eb046e792e1fb049c4716d15">&#9670;&#160;</a></span>permutation</h2>
  
166 <div·class="memitem">166 <div·class="memitem">
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176 ········<tr>176 ········<tr>
177 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::permutation</td>177 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·<a·class="el"·href="../../d1/d82/a03450.html">BALL::TreeWidthImplementation</a>&lt;·UndirectedGraph·&gt;<a·class="el"·href="../../d8/d7b/a03486.html#a1ab78f1923cd3b09ae53f7751c44b6bd">::QuickBB</a>&lt;·Lowerbound,·Upperbound·&gt;::QuickBBState::permutation</td>
178 ········</tr>178 ········</tr>
179 ······</table>179 ······</table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
181 <p>current·elimination·order·</p>181 <p>current·elimination·order·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00367">367</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00367">367</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
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186 <!--·start·footer·part·-->186 <!--·start·footer·part·-->
187 <hr·class="footer"/><address·class="footer"><small>187 <hr·class="footer"/><address·class="footer"><small>
188 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8188 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../da/d09/a06451.html">List·of·all·members</a>··</div>78 <a·href="../../da/d09/a06451.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SLICKScore::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/slickScore.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a596f3e3f066c9d63abb266fa7f9f3ce7"·id="r_a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a596f3e3f066c9d63abb266fa7f9f3ce7">CONST</a></td></tr>86 <tr·class="memitem:a596f3e3f066c9d63abb266fa7f9f3ce7"·id="r_a596f3e3f066c9d63abb266fa7f9f3ce7"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#a596f3e3f066c9d63abb266fa7f9f3ce7">CONST</a></td></tr>
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89 <tr·class="separator:a3f508dad48c28595262541c7466a0a9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a3f508dad48c28595262541c7466a0a9e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="memitem:acbc9f12f8cbc82831a8d0bd05df01f66"·id="r_acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#acbc9f12f8cbc82831a8d0bd05df01f66">POLAR</a></td></tr>95 <tr·class="memitem:acbc9f12f8cbc82831a8d0bd05df01f66"·id="r_acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html#acbc9f12f8cbc82831a8d0bd05df01f66">POLAR</a></td></tr>
96 <tr·class="separator:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:acbc9f12f8cbc82831a8d0bd05df01f66"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p><a·class="el"·href="../../d3/d89/a06454.html">Option</a>·names·</p>99 <div·class="textblock"><p><a·class="el"·href="../../d3/d89/a06454.html">Option</a>·names·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
101 </div><h2·class="groupheader">Member·Data·Documentation</h2>101 </div><h2·class="groupheader">Member·Data·Documentation</h2>
102 <a·id="a3f508dad48c28595262541c7466a0a9e"·name="a3f508dad48c28595262541c7466a0a9e"></a>102 <a·id="a3f508dad48c28595262541c7466a0a9e"·name="a3f508dad48c28595262541c7466a0a9e"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f508dad48c28595262541c7466a0a9e">&#9670;&#160;</a></span>CHPI</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f508dad48c28595262541c7466a0a9e">&#9670;&#160;</a></span>CHPI</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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116 ··</td>116 ··</td>
117 ··<td·class="mlabels-right">117 ··<td·class="mlabels-right">
118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
119 ··</tr>119 ··</tr>
120 </table>120 </table>
121 </div><div·class="memdoc">121 </div><div·class="memdoc">
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="a596f3e3f066c9d63abb266fa7f9f3ce7"·name="a596f3e3f066c9d63abb266fa7f9f3ce7"></a>125 <a·id="a596f3e3f066c9d63abb266fa7f9f3ce7"·name="a596f3e3f066c9d63abb266fa7f9f3ce7"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a596f3e3f066c9d63abb266fa7f9f3ce7">&#9670;&#160;</a></span>CONST</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a596f3e3f066c9d63abb266fa7f9f3ce7">&#9670;&#160;</a></span>CONST</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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141 ··<td·class="mlabels-right">141 ··<td·class="mlabels-right">
142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
143 ··</tr>143 ··</tr>
144 </table>144 </table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>146 <p>The·additive·constant·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d0b/a06458.html#a177201cd7f6f1439b245395800497e2c">Default::CONST</a>)·</dd></dl>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <a·id="aa75e86a0a427d4af54577844a8ebe6b6"·name="aa75e86a0a427d4af54577844a8ebe6b6"></a>150 <a·id="aa75e86a0a427d4af54577844a8ebe6b6"·name="aa75e86a0a427d4af54577844a8ebe6b6"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#aa75e86a0a427d4af54577844a8ebe6b6">&#9670;&#160;</a></span>HB</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#aa75e86a0a427d4af54577844a8ebe6b6">&#9670;&#160;</a></span>HB</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
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165 ··</td>165 ··</td>
166 ··<td·class="mlabels-right">166 ··<td·class="mlabels-right">
167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
168 ··</tr>168 ··</tr>
169 </table>169 </table>
170 </div><div·class="memdoc">170 </div><div·class="memdoc">
  
171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>171 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
172 </div>172 </div>
173 </div>173 </div>
174 <a·id="acbc9f12f8cbc82831a8d0bd05df01f66"·name="acbc9f12f8cbc82831a8d0bd05df01f66"></a>174 <a·id="acbc9f12f8cbc82831a8d0bd05df01f66"·name="acbc9f12f8cbc82831a8d0bd05df01f66"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#acbc9f12f8cbc82831a8d0bd05df01f66">&#9670;&#160;</a></span>POLAR</h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#acbc9f12f8cbc82831a8d0bd05df01f66">&#9670;&#160;</a></span>POLAR</h2>
  
176 <div·class="memitem">176 <div·class="memitem">
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189 ··</td>189 ··</td>
190 ··<td·class="mlabels-right">190 ··<td·class="mlabels-right">
191 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>191 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
192 ··</tr>192 ··</tr>
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195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>195 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
196 </div>196 </div>
197 </div>197 </div>
198 <a·id="a41e52a3d9a789ccc7668e2e89b2fa201"·name="a41e52a3d9a789ccc7668e2e89b2fa201"></a>198 <a·id="a41e52a3d9a789ccc7668e2e89b2fa201"·name="a41e52a3d9a789ccc7668e2e89b2fa201"></a>
199 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e52a3d9a789ccc7668e2e89b2fa201">&#9670;&#160;</a></span>VDW</h2>199 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e52a3d9a789ccc7668e2e89b2fa201">&#9670;&#160;</a></span>VDW</h2>
  
200 <div·class="memitem">200 <div·class="memitem">
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213 ··</td>213 ··</td>
214 ··<td·class="mlabels-right">214 ··<td·class="mlabels-right">
215 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>215 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
216 ··</tr>216 ··</tr>
217 </table>217 </table>
218 </div><div·class="memdoc">218 </div><div·class="memdoc">
  
219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">slickScore.h</a>.</p>219 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">slickScore.h</a>.</p>
  
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pierottiCavFreeEnergyProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">forceField.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/MOLMEC/COMMON/periodicBoundary.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;vector&gt;</code><br·/>
 90 <code>#include·&lt;BALL/MOLMEC/COMMON/forceField.iC&gt;</code><br·/>
84 </div>91 </div>
85 <p><a·href="../../d3/d8b/a00059_source.html">Go·to·the·source·code·of·this·file.</a></p>92 <p><a·href="../../d3/d8b/a00059_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">93 <table·class="memberdecls">
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html">BALL::PierottiCavFreeEnergyProcessor::Option</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de2/a06562.html">BALL::PierottiCavFreeEnergyProcessor::Default</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>100 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SyncClippingPlanesMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SyncClippingPlanesMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::SyncClippingPlanesMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::SyncClippingPlanesMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/d8d/a07878.png"·usemap="#BALL::VIEW::SyncClippingPlanesMessage_map"·alt=""/>87 ··<img·src="../../d3/d8d/a07878.png"·usemap="#BALL::VIEW::SyncClippingPlanesMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::SyncClippingPlanesMessage_map"·name="BALL::VIEW::SyncClippingPlanesMessage_map">88 ··<map·id="BALL::VIEW::SyncClippingPlanesMessage_map"·name="BALL::VIEW::SyncClippingPlanesMessage_map">
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76 ··<div·class="summary">76 ··<div·class="summary">
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124 </div>124 </div>
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79 ··<div·class="headertitle"><div·class="title">RMSDMinimizer.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">graphEdge.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>83 <code>#include·&lt;vector&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../d3/d92/a01796_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d3/d92/a01796_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <p><a·href="../../d3/d93/a00341_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d3/d93/a00341_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">84 <table·class="memberdecls">
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82 <div·class="contents">82 <div·class="contents">
  
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89 <tr·class="memitem:a71139a0959b1f55098529b67703e7c63"·id="r_a71139a0959b1f55098529b67703e7c63"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a71139a0959b1f55098529b67703e7c63">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·&amp;v)·const</td></tr>89 <tr·class="memitem:a71139a0959b1f55098529b67703e7c63"·id="r_a71139a0959b1f55098529b67703e7c63"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#a71139a0959b1f55098529b67703e7c63">operator()</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·&amp;v)·const</td></tr>
90 <tr·class="separator:a71139a0959b1f55098529b67703e7c63"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a71139a0959b1f55098529b67703e7c63"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 Protected·Attributes</h2></td></tr>94 Protected·Attributes</h2></td></tr>
95 <tr·class="memitem:ac4a4ce45a64de510e085698f30e3bf02"·id="r_ac4a4ce45a64de510e085698f30e3bf02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#ac4a4ce45a64de510e085698f30e3bf02">cluster_tree_</a></td></tr>95 <tr·class="memitem:ac4a4ce45a64de510e085698f30e3bf02"·id="r_ac4a4ce45a64de510e085698f30e3bf02"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·const··*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d94/a03698.html#ac4a4ce45a64de510e085698f30e3bf02">cluster_tree_</a></td></tr>
96 <tr·class="separator:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:ac4a4ce45a64de510e085698f30e3bf02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>A·nested·class·used·for·exporting·cluster·trees·to·graphviz·format·</p>99 <div·class="textblock"><p>A·nested·class·used·for·exporting·cluster·trees·to·graphviz·format·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00563">563</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00563">563</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a8f0c902e42a39e82ea753a5f820e01d9"·name="a8f0c902e42a39e82ea753a5f820e01d9"></a>102 <a·id="a8f0c902e42a39e82ea753a5f820e01d9"·name="a8f0c902e42a39e82ea753a5f820e01d9"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f0c902e42a39e82ea753a5f820e01d9">&#9670;&#160;</a></span>ClusterTreeWriter_()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f0c902e42a39e82ea753a5f820e01d9">&#9670;&#160;</a></span>ClusterTreeWriter_()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Function·Documentation</h2>129 <h2·class="groupheader">Member·Function·Documentation</h2>
130 <a·id="a71139a0959b1f55098529b67703e7c63"·name="a71139a0959b1f55098529b67703e7c63"></a>130 <a·id="a71139a0959b1f55098529b67703e7c63"·name="a71139a0959b1f55098529b67703e7c63"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a71139a0959b1f55098529b67703e7c63">&#9670;&#160;</a></span>operator()()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a71139a0959b1f55098529b67703e7c63">&#9670;&#160;</a></span>operator()()</h2>
  
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174 ··</td>174 ··</td>
175 ··<td·class="mlabels-right">175 ··<td·class="mlabels-right">
176 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>176 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
177 ··</tr>177 ··</tr>
178 </table>178 </table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00573">573</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00573">573</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 </div><!--·contents·-->183 </div><!--·contents·-->
184 <!--·start·footer·part·-->184 <!--·start·footer·part·-->
185 <hr·class="footer"/><address·class="footer"><small>185 <hr·class="footer"/><address·class="footer"><small>
186 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8186 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../dd/d01/a05851.html">List·of·all·members</a>··</div>79 <a·href="../../dd/d01/a05851.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::TNode_·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::TNode_·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ae4a37abf114fd1eec7cfde817658e903"·id="r_ae4a37abf114fd1eec7cfde817658e903"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">recieve</a>·()</td></tr>87 <tr·class="memitem:ae4a37abf114fd1eec7cfde817658e903"·id="r_ae4a37abf114fd1eec7cfde817658e903"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#ae4a37abf114fd1eec7cfde817658e903">recieve</a>·()</td></tr>
88 <tr·class="memdesc:ae4a37abf114fd1eec7cfde817658e903"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">method·to·process·the·messages·in·the·recieve·buffer··<br·/></td></tr>88 <tr·class="memdesc:ae4a37abf114fd1eec7cfde817658e903"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">method·to·process·the·messages·in·the·recieve·buffer··<br·/></td></tr>
89 <tr·class="separator:ae4a37abf114fd1eec7cfde817658e903"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ae4a37abf114fd1eec7cfde817658e903"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a93877d323429c575be355458476fca80"·id="r_a93877d323429c575be355458476fca80"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a93877d323429c575be355458476fca80">send</a>·()</td></tr>90 <tr·class="memitem:a93877d323429c575be355458476fca80"·id="r_a93877d323429c575be355458476fca80"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a93877d323429c575be355458476fca80">send</a>·()</td></tr>
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105 <tr·class="separator:a3bedc238644caa576c098ed1ef238e95"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a3bedc238644caa576c098ed1ef238e95"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:a9d0a74662d1a941b26bcd67538f683b6"·id="r_a9d0a74662d1a941b26bcd67538f683b6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">send_buffer</a></td></tr>106 <tr·class="memitem:a9d0a74662d1a941b26bcd67538f683b6"·id="r_a9d0a74662d1a941b26bcd67538f683b6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d9f/a05854.html#a9d0a74662d1a941b26bcd67538f683b6">send_buffer</a></td></tr>
107 <tr·class="memdesc:a9d0a74662d1a941b26bcd67538f683b6"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">the·send·buffer,·where·messages·are·stored·in··<br·/></td></tr>107 <tr·class="memdesc:a9d0a74662d1a941b26bcd67538f683b6"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">the·send·buffer,·where·messages·are·stored·in··<br·/></td></tr>
108 <tr·class="separator:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a9d0a74662d1a941b26bcd67538f683b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock">111 <div·class="textblock">
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
113 </div><h2·class="groupheader">Member·Function·Documentation</h2>113 </div><h2·class="groupheader">Member·Function·Documentation</h2>
114 <a·id="a50340eaa86e9d01ce564661fe2bfcd32"·name="a50340eaa86e9d01ce564661fe2bfcd32"></a>114 <a·id="a50340eaa86e9d01ce564661fe2bfcd32"·name="a50340eaa86e9d01ce564661fe2bfcd32"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a50340eaa86e9d01ce564661fe2bfcd32">&#9670;&#160;</a></span>haveSingleIntersection()</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a50340eaa86e9d01ce564661fe2bfcd32">&#9670;&#160;</a></span>haveSingleIntersection()</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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244 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::recieve_buffer</td>244 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::recieve_buffer</td>
245 ········</tr>245 ········</tr>
246 ······</table>246 ······</table>
247 </div><div·class="memdoc">247 </div><div·class="memdoc">
  
248 <p>the·recieve·buffer,·where·messages·are·stored·in·</p>248 <p>the·recieve·buffer,·where·messages·are·stored·in·</p>
  
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
250 </div>250 </div>
251 </div>251 </div>
252 <a·id="a9d0a74662d1a941b26bcd67538f683b6"·name="a9d0a74662d1a941b26bcd67538f683b6"></a>252 <a·id="a9d0a74662d1a941b26bcd67538f683b6"·name="a9d0a74662d1a941b26bcd67538f683b6"></a>
253 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d0a74662d1a941b26bcd67538f683b6">&#9670;&#160;</a></span>send_buffer</h2>253 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d0a74662d1a941b26bcd67538f683b6">&#9670;&#160;</a></span>send_buffer</h2>
  
254 <div·class="memitem">254 <div·class="memitem">
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262 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::send_buffer</td>262 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../db/d7c/a05858.html">PathMessage_</a>&gt;·BALL::RingPerceptionProcessor::TNode_::send_buffer</td>
263 ········</tr>263 ········</tr>
264 ······</table>264 ······</table>
265 </div><div·class="memdoc">265 </div><div·class="memdoc">
  
266 <p>the·send·buffer,·where·messages·are·stored·in·</p>266 <p>the·send·buffer,·where·messages·are·stored·in·</p>
  
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
268 </div>268 </div>
269 </div>269 </div>
270 </div><!--·contents·-->270 </div><!--·contents·-->
271 <!--·start·footer·part·-->271 <!--·start·footer·part·-->
272 <hr·class="footer"/><address·class="footer"><small>272 <hr·class="footer"/><address·class="footer"><small>
273 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8273 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d59/a01973_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d3/d59/a01973_source.html">hydrogenBond.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">hydrogenBond.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>245 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
246 <a·id="a9c652de16ae5e9280bffc4861779e07a"·name="a9c652de16ae5e9280bffc4861779e07a"></a>246 <a·id="a9c652de16ae5e9280bffc4861779e07a"·name="a9c652de16ae5e9280bffc4861779e07a"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c652de16ae5e9280bffc4861779e07a">&#9670;&#160;</a></span>HydrogenBond()·<span·class="overload">[1/4]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c652de16ae5e9280bffc4861779e07a">&#9670;&#160;</a></span>HydrogenBond()·<span·class="overload">[1/4]</span></h2>
  
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70 <div·class="header">74 <div·class="header">
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71 ··<div·class="headertitle"><div·class="title">energy.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">colorUnit.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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 88 <p><a·href="../../d3/da4/a01343_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">MMFF94OutOfPlaneBend.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">sideChainOptimizer.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;set&gt;</code><br·/>
 84 <code>#include·&lt;list&gt;</code><br·/>
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86 <p><a·href="../../d3/daa/a01577_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d3/daa/a01577_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">87 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>89 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d63/a05242.html">BALL::MMFF94OutOfPlaneBend</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html">BALL::SideChainOptimizer</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dbd/a05246.html">BALL::MMFF94OutOfPlaneBend::OutOfPlaneBend</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
101 Macros</h2></td></tr> 
102 <tr·class="memitem:a33232c08498db9a54da0c3017b2bcccc"·id="r_a33232c08498db9a54da0c3017b2bcccc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/daa/a01577.html#a33232c08498db9a54da0c3017b2bcccc">MMFF94_OUTOFPLANE_ENABLED</a>&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td></tr> 
103 <tr·class="memdesc:a33232c08498db9a54da0c3017b2bcccc"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·OutOfPlane··<br·/></td></tr> 
104 <tr·class="separator:a33232c08498db9a54da0c3017b2bcccc"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>97 </table>
106 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
107 <a·id="a33232c08498db9a54da0c3017b2bcccc"·name="a33232c08498db9a54da0c3017b2bcccc"></a> 
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a33232c08498db9a54da0c3017b2bcccc">&#9670;&#160;</a></span>MMFF94_OUTOFPLANE_ENABLED</h2> 
  
109 <div·class="memitem"> 
110 <div·class="memproto"> 
111 ······<table·class="memname"> 
112 ········<tr> 
113 ··········<td·class="memname">#define·MMFF94_OUTOFPLANE_ENABLED&#160;&#160;&#160;&quot;enable·OutOfPlane&quot;</td> 
114 ········</tr> 
115 ······</table> 
116 </div><div·class="memdoc"> 
  
117 <p>flag·to·enable·OutOfPlane·</p> 
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">MMFF94OutOfPlaneBend.h</a>.</p> 
  
119 </div> 
120 </div> 
121 </div><!--·contents·-->98 </div><!--·contents·-->
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/da4/a04515.html">List·of·all·members</a>··</div>77 <a·href="../../dc/da4/a04515.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ExpressionPredicate·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ExpressionPredicate·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d41/a00881_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/df0/a00557_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ExpressionPredicate:</div>83 Inheritance·diagram·for·BALL::ExpressionPredicate:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/dae/a04518.png"·usemap="#BALL::ExpressionPredicate_map"·alt=""/>86 ··<img·src="../../d3/dae/a04518.png"·usemap="#BALL::ExpressionPredicate_map"·alt=""/>
87 ··<map·id="BALL::ExpressionPredicate_map"·name="BALL::ExpressionPredicate_map">87 ··<map·id="BALL::ExpressionPredicate_map"·name="BALL::ExpressionPredicate_map">
88 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Atom·&gt;"·shape="rect"·coords="0,56,217,80"/>88 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Atom·&gt;"·shape="rect"·coords="0,56,217,80"/>
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149 <tr·class="separator:ad5b5272ad260f3b70d3d9f5ddbbdcc84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>149 <tr·class="separator:ad5b5272ad260f3b70d3d9f5ddbbdcc84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
150 <tr·class="memitem:ab2ac411ffdb2c9e1d2bb417047586d49"·id="r_ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ab2ac411ffdb2c9e1d2bb417047586d49">setArgument</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;argument)</td></tr>150 <tr·class="memitem:ab2ac411ffdb2c9e1d2bb417047586d49"·id="r_ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ab2ac411ffdb2c9e1d2bb417047586d49">setArgument</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;argument)</td></tr>
151 <tr·class="separator:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memSeparator"·colspan="2">&#160;</td></tr>151 <tr·class="separator:ab2ac411ffdb2c9e1d2bb417047586d49"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
152 <tr·class="memitem:ad0b1569d40e2b70195867b4e7c60bce3"·id="r_ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ad0b1569d40e2b70195867b4e7c60bce3">getArgument</a>·()·const</td></tr>152 <tr·class="memitem:ad0b1569d40e2b70195867b4e7c60bce3"·id="r_ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#ad0b1569d40e2b70195867b4e7c60bce3">getArgument</a>·()·const</td></tr>
153 <tr·class="separator:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:ad0b1569d40e2b70195867b4e7c60bce3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 </table>154 </table>
155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
156 <div·class="textblock"><p><a·class="el"·href="../../d3/dae/a04518.html">ExpressionPredicate</a>.·The·base·class·for·all·kernel·predicates·(defined·in·<a·class="el"·href="../../d4/d45/a00791.html">BALL/KERNEL/standardPredicates.h</a>·and·used·by·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·You·have·to·derive·your·own·predicate·classes·from·this·class·if·you·want·to·use·(and·register)·them·with·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>156 <div·class="textblock"><p><a·class="el"·href="../../d3/dae/a04518.html">ExpressionPredicate</a>.·The·base·class·for·all·kernel·predicates·(defined·in·<a·class="el"·href="../../de/d4e/a00500.html">BALL/KERNEL/standardPredicates.h</a>·and·used·by·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·You·have·to·derive·your·own·predicate·classes·from·this·class·if·you·want·to·use·(and·register)·them·with·<a·class="el"·href="../../d7/dba/a04502.html">Expression·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
157 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>157 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d41/a00881_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d41/a00881_source.html">expressionPredicate.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/df0/a00557_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/df0/a00557_source.html">expressionPredicate.h</a>.</p>
159 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>159 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
160 <a·id="a4c0d0da91d0630275eb6241a073ee66b"·name="a4c0d0da91d0630275eb6241a073ee66b"></a>160 <a·id="a4c0d0da91d0630275eb6241a073ee66b"·name="a4c0d0da91d0630275eb6241a073ee66b"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c0d0da91d0630275eb6241a073ee66b">&#9670;&#160;</a></span>ExpressionPredicate()·<span·class="overload">[1/3]</span></h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c0d0da91d0630275eb6241a073ee66b">&#9670;&#160;</a></span>ExpressionPredicate()·<span·class="overload">[1/3]</span></h2>
  
162 <div·class="memitem">162 <div·class="memitem">
163 <div·class="memproto">163 <div·class="memproto">
164 ······<table·class="memname">164 ······<table·class="memname">
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415 ··</td>415 ··</td>
416 ··<td·class="mlabels-right">416 ··<td·class="mlabels-right">
417 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>417 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
418 ··</tr>418 ··</tr>
419 </table>419 </table>
420 </div><div·class="memdoc">420 </div><div·class="memdoc">
  
421 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d41/a00881_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../df/d41/a00881_source.html">expressionPredicate.h</a>.</p>421 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/df0/a00557_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d8/df0/a00557_source.html">expressionPredicate.h</a>.</p>
  
422 </div>422 </div>
423 </div>423 </div>
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425 <!--·start·footer·part·-->425 <!--·start·footer·part·-->
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80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d08/a01448_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
88 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/> 
89 <code>#include·&lt;BALL/VIEW/KERNEL/serverWidget.iC&gt;</code><br·/> 
90 </div> 
91 <p><a·href="../../d3/db1/a00200_source.html">Go·to·the·source·code·of·this·file.</a></p> 
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80 </div><!--header-->79 </div><!--header-->
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82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/> 
84 </div>82 </div>
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98 Macros</h2></td></tr> 
99 <tr·class="memitem:a0290c534c8e9d608345daa2725451481"·id="r_a0290c534c8e9d608345daa2725451481"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/db2/a00869.html#a0290c534c8e9d608345daa2725451481">BALL_KERNEL_DEFINE_ITERATOR_CREATORS</a>(Type)</td></tr> 
100 <tr·class="separator:a0290c534c8e9d608345daa2725451481"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>94 </table>
102 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
103 <a·id="a0290c534c8e9d608345daa2725451481"·name="a0290c534c8e9d608345daa2725451481"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a0290c534c8e9d608345daa2725451481">&#9670;&#160;</a></span>BALL_KERNEL_DEFINE_ITERATOR_CREATORS</h2> 
  
105 <div·class="memitem"> 
106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">#define·BALL_KERNEL_DEFINE_ITERATOR_CREATORS</td> 
110 ··········<td>(</td> 
111 ··········<td·class="paramtype">&#160;</td> 
112 ··········<td·class="paramname">Type</td><td>)</td> 
113 ··········<td></td> 
114 ········</tr> 
115 ······</table> 
116 </div><div·class="memdoc"> 
117 <p>A·macro·defining·kernel·iterators.·This·macro·allows·th·definition·of·arbitrary·bidirectional·iterators·for·kernel·container·classes.·Multiple·iterator·definition·macros·can·be·included·at·the·same·time,·thus·enabling·the·iteration·over·different·types·of·kernel·objects.·Each·macro·defines·beginX()/endX()·(const·and·mutable)·and·rendX()/rbeginX()·where·X·is·the·type·of·item·to·iterate·over.·</p> 
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">iterator.h</a>.</p> 
  
119 </div> 
120 </div> 
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72 </div><!--header-->80 </div><!--header-->
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 82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;GL/gl.h&gt;</code><br·/>
 88 <code>#include·&lt;GL/glu.h&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;BALL/VIEW/RENDERING/RENDERERS/glRenderer.iC&gt;</code><br·/>
 92 </div>
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 96 Classes</h2></td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7d/a08262.html">BALL::VIEW::GLRenderer</a></td></tr>
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 99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/df2/a08266.html">BALL::VIEW::GLRenderer::WrongModes</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table><table·class="memberdecls">
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 105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 108 </table><table·class="memberdecls">
 109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 110 Macros</h2></td></tr>
 111 <tr·class="memitem:a428a91acf2c2439dc1a257708ee1f805"·id="r_a428a91acf2c2439dc1a257708ee1f805"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dbc/a01451.html#a428a91acf2c2439dc1a257708ee1f805">APIENTRY</a></td></tr>
 112 <tr·class="separator:a428a91acf2c2439dc1a257708ee1f805"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 113 <tr·class="memitem:a465b55c32ef167e768bfbd61ec685779"·id="r_a465b55c32ef167e768bfbd61ec685779"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dbc/a01451.html#a465b55c32ef167e768bfbd61ec685779">BALL_GLRENDERER_PICKING_NUMBER_OF_MAX_OBJECTS</a>&#160;&#160;&#160;1000000</td></tr>
 114 <tr·class="separator:a465b55c32ef167e768bfbd61ec685779"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 115 </table>
 116 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 117 <a·id="a428a91acf2c2439dc1a257708ee1f805"·name="a428a91acf2c2439dc1a257708ee1f805"></a>
 118 <h2·class="memtitle"><span·class="permalink"><a·href="#a428a91acf2c2439dc1a257708ee1f805">&#9670;&#160;</a></span>APIENTRY</h2>
  
 119 <div·class="memitem">
 120 <div·class="memproto">
 121 ······<table·class="memname">
 122 ········<tr>
 123 ··········<td·class="memname">#define·APIENTRY</td>
 124 ········</tr>
 125 ······</table>
 126 </div><div·class="memdoc">
  
 127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">glRenderer.h</a>.</p>
  
 128 </div>
 129 </div>
 130 <a·id="a465b55c32ef167e768bfbd61ec685779"·name="a465b55c32ef167e768bfbd61ec685779"></a>
 131 <h2·class="memtitle"><span·class="permalink"><a·href="#a465b55c32ef167e768bfbd61ec685779">&#9670;&#160;</a></span>BALL_GLRENDERER_PICKING_NUMBER_OF_MAX_OBJECTS</h2>
  
 132 <div·class="memitem">
 133 <div·class="memproto">
 134 ······<table·class="memname">
 135 ········<tr>
 136 ··········<td·class="memname">#define·BALL_GLRENDERER_PICKING_NUMBER_OF_MAX_OBJECTS&#160;&#160;&#160;1000000</td>
 137 ········</tr>
 138 ······</table>
 139 </div><div·class="memdoc">
  
 140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">glRenderer.h</a>.</p>
  
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74 </div><!--·contents·-->143 </div><!--·contents·-->
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8 <title>BALL:·datatype.h·File·Reference</title>8 <title>BALL:·scene.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
75 ··<div·class="headertitle"><div·class="title">datatype.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">scene.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;BALL/DATATYPE/binarySearchTree.h&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../d4/d81/a00110_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d3a/a00101_source.html">BALL/DATATYPE/list.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d5/da5/a01424_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/>
88 <code>#include·&lt;BALL/DATATYPE/redBlackTree.h&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/DATATYPE/regularExpression.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;BALL/DATATYPE/splayTree.h&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code><br·/>
92 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>88 <code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/VIEW/KERNEL/editOperation.h</a>&gt;</code><br·/>
93 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a00083_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../db/d23/a01025_source.html">BALL/VIEW/KERNEL/MODES/interactionModeManager.h</a>&gt;</code><br·/>
94 <code>#include·&lt;BALL/DATATYPE/stringMap.h&gt;</code><br·/>90 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
 91 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/>
 92 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 93 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
 94 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/>
 95 <code>#include·&lt;QtGui/QFont&gt;</code><br·/>
 96 <code>#include·&lt;QtGui/QPicture&gt;</code><br·/>
 97 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
95 </div>98 </div>
96 <p><a·href="../../d3/dbd/a01100_source.html">Go·to·the·source·code·of·this·file.</a></p>99 <p><a·href="../../d3/dbd/a01100_source.html">Go·to·the·source·code·of·this·file.</a></p>
 100 <table·class="memberdecls">
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97 </div><!--·contents·-->115 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#friends">Friends</a>·&#124;77 <a·href="#friends">Friends</a>·&#124;
78 <a·href="../../d3/d9c/a06419.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d9c/a06419.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Rescoring::RescoreQSARData·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Rescoring::RescoreQSARData·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Rescoring::RescoreQSARData:</div>84 Inheritance·diagram·for·BALL::Rescoring::RescoreQSARData:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/dc1/a06422.png"·usemap="#BALL::Rescoring::RescoreQSARData_map"·alt=""/>87 ··<img·src="../../d3/dc1/a06422.png"·usemap="#BALL::Rescoring::RescoreQSARData_map"·alt=""/>
88 ··<map·id="BALL::Rescoring::RescoreQSARData_map"·name="BALL::Rescoring::RescoreQSARData_map">88 ··<map·id="BALL::Rescoring::RescoreQSARData_map"·name="BALL::Rescoring::RescoreQSARData_map">
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204 <tr·class="memitem:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"·id="r_acbd936f45c71243a1cde5b488ebcaeb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#acbd936f45c71243a1cde5b488ebcaeb8">data_folder_</a></td></tr>204 <tr·class="memitem:acbd936f45c71243a1cde5b488ebcaeb8·inherit·pro_attribs_a05826"·id="r_acbd936f45c71243a1cde5b488ebcaeb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#acbd936f45c71243a1cde5b488ebcaeb8">data_folder_</a></td></tr>
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206 <tr·class="memitem:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"·id="r_a263f4f993ffae0ec0ee7dcb4915c05fa"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#a263f4f993ffae0ec0ee7dcb4915c05fa">class_names_</a></td></tr>206 <tr·class="memitem:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"·id="r_a263f4f993ffae0ec0ee7dcb4915c05fa"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html#a263f4f993ffae0ec0ee7dcb4915c05fa">class_names_</a></td></tr>
207 <tr·class="separator:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>207 <tr·class="separator:a263f4f993ffae0ec0ee7dcb4915c05fa·inherit·pro_attribs_a05826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
208 </table>208 </table>
209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>209 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
210 <div·class="textblock">210 <div·class="textblock">
211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">rescoring.h</a>.</p>211 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
212 </div><h2·class="groupheader">Friends·And·Related·Symbol·Documentation</h2>212 </div><h2·class="groupheader">Friends·And·Related·Symbol·Documentation</h2>
213 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>213 <a·id="a338b8f006d4c2ed937a5fd3deed19b56"·name="a338b8f006d4c2ed937a5fd3deed19b56"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&#160;</a></span>Rescoring</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&#160;</a></span>Rescoring</h2>
  
215 <div·class="memitem">215 <div·class="memitem">
216 <div·class="memproto">216 <div·class="memproto">
217 <table·class="mlabels">217 <table·class="mlabels">
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226 ··</td>226 ··</td>
227 ··<td·class="mlabels-right">227 ··<td·class="mlabels-right">
228 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>228 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
229 ··</tr>229 ··</tr>
230 </table>230 </table>
231 </div><div·class="memdoc">231 </div><div·class="memdoc">
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">rescoring.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
  
233 </div>233 </div>
234 </div>234 </div>
235 <a·id="a65fa8154b172129bfbbe601fdf7a1f51"·name="a65fa8154b172129bfbbe601fdf7a1f51"></a>235 <a·id="a65fa8154b172129bfbbe601fdf7a1f51"·name="a65fa8154b172129bfbbe601fdf7a1f51"></a>
236 <h2·class="memtitle"><span·class="permalink"><a·href="#a65fa8154b172129bfbbe601fdf7a1f51">&#9670;&#160;</a></span>Rescoring3D</h2>236 <h2·class="memtitle"><span·class="permalink"><a·href="#a65fa8154b172129bfbbe601fdf7a1f51">&#9670;&#160;</a></span>Rescoring3D</h2>
  
237 <div·class="memitem">237 <div·class="memitem">
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250 ··</td>250 ··</td>
251 ··<td·class="mlabels-right">251 ··<td·class="mlabels-right">
252 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>252 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
253 ··</tr>253 ··</tr>
254 </table>254 </table>
255 </div><div·class="memdoc">255 </div><div·class="memdoc">
  
256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d45/a02021_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d8/d45/a02021_source.html">rescoring.h</a>.</p>256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">rescoring.h</a>.</p>
  
257 </div>257 </div>
258 </div>258 </div>
259 </div><!--·contents·-->259 </div><!--·contents·-->
260 <!--·start·footer·part·-->260 <!--·start·footer·part·-->
261 <hr·class="footer"/><address·class="footer"><small>261 <hr·class="footer"/><address·class="footer"><small>
262 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8262 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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140 <li><a·class="el"·href="../../d3/d3a/a08134.html">VanDerWaals·</a></li>140 <li><a·class="el"·href="../../d3/d3a/a08134.html">VanDerWaals·</a></li>
141 <li>...·</li>141 <li>...·</li>
142 </ul>142 </ul>
143 <p>Every·model·is·implemeted·in·a·class·derived·from·ModelProcessor,·which·operates·on·Kernel·objects·(<a·class="el"·href="../../dd/d3c/a04466.html">Atoms·</a>,·<a·class="el"·href="../../df/dd2/a04486.html">Bonds·</a>,·...).·<br··/>143 <p>Every·model·is·implemeted·in·a·class·derived·from·ModelProcessor,·which·operates·on·Kernel·objects·(<a·class="el"·href="../../dd/d3c/a04466.html">Atoms·</a>,·<a·class="el"·href="../../df/dd2/a04486.html">Bonds·</a>,·...).·<br··/>
144 </p>144 </p>
145 <p>If·you·want·to·add·a·new·model,·you·have·to·do·four·things:</p><ul>145 <p>If·you·want·to·add·a·new·model,·you·have·to·do·four·things:</p><ul>
146 <li>Create·a·new·derived·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor·</a>·class</li>146 <li>Create·a·new·derived·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor·</a>·class</li>
147 <li>Add·a·new·entry·in·the·enum·VIEW::ModelType·(see·<a·class="el"·href="../../d5/d08/a20383.html">VIEW/KERNEL/common.h</a>)</li>147 <li>Add·a·new·entry·in·the·enum·VIEW::ModelType·(see·<a·class="el"·href="../../de/d29/a20374.html">VIEW/KERNEL/common.h</a>)</li>
148 <li>Insert·the·name·for·the·new·model·in·getModelName()·(see·<a·class="el"·href="../../d5/d08/a20383.html">VIEW/KERNEL/common.h</a>)</li>148 <li>Insert·the·name·for·the·new·model·in·getModelName()·(see·<a·class="el"·href="../../de/d29/a20374.html">VIEW/KERNEL/common.h</a>)</li>
149 <li>Modify·BALL::VIEW::DisplayProperties::createRepresentation_()·<br··/>149 <li>Modify·BALL::VIEW::DisplayProperties::createRepresentation_()·<br··/>
150 ·In·general·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor</a>·'s·are·members·in·<a·class="el"·href="../../d6/de8/a07934.html">Representations·</a>.</li>150 ·In·general·<a·class="el"·href="../../d0/dc2/a08070.html">ModelProcessor</a>·'s·are·members·in·<a·class="el"·href="../../d6/de8/a07934.html">Representations·</a>.</li>
151 </ul>151 </ul>
152 <p>The·new·model·will·be·automaticaly·added·to·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties·</a>·dialog.·<br··/>152 <p>The·new·model·will·be·automaticaly·added·to·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties·</a>·dialog.·<br··/>
153 </p>153 </p>
154 <h2>Coloring·Methods</h2>154 <h2>Coloring·Methods</h2>
155 <p>There·are·also·several·methods·to·colorize·the·molecular·models·and·every·method·is·implemented·in·a·class·derived·from·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>.·Every·instance·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation·</a>·can·have·a·pointer·to·an·object·of·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>·,·which·it·calls·to·get·the·color·for·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObjects·</a>·.·</p>155 <p>There·are·also·several·methods·to·colorize·the·molecular·models·and·every·method·is·implemented·in·a·class·derived·from·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>.·Every·instance·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation·</a>·can·have·a·pointer·to·an·object·of·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor·</a>·,·which·it·calls·to·get·the·color·for·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObjects·</a>·.·</p>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">mlrModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">antechamberFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d3/dcd/a00965_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d3/dcd/a00965_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>86 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d90/a05770.html">BALL::QSAR::MLRModel</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d69/a03834.html">BALL::AntechamberFile</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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98 </div><!--·contents·-->95 </div><!--·contents·-->
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">radialDistributionFunction.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">smilesParser.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d3/dce/a01859_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/dce/a01859_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">allModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">PDBInfo.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
 82 <code>#include·&lt;stdexcept&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../df/dce/a00974_source.html">BALL/FORMAT/PDBRecords.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
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83 <p><a·href="../../d3/dd1/a00914_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/dd1/a00914_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
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75 ··<div·class="summary"> 
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78 ··<div·class="headertitle"><div·class="title">UIOperationMode.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">common.h·File·Reference</div></div>
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85 <p><a·href="../../d3/dd5/a00215_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d3/dd5/a00215_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls"> 
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
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88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>.·</p>90 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>.·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">electrostaticPotentialCalculator.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a7c7fd53aab33c95a18215d6c53987fd6"·name="a7c7fd53aab33c95a18215d6c53987fd6"></a>93 <a·id="a7c7fd53aab33c95a18215d6c53987fd6"·name="a7c7fd53aab33c95a18215d6c53987fd6"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c7fd53aab33c95a18215d6c53987fd6">&#9670;&#160;</a></span>LOCALITY</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7c7fd53aab33c95a18215d6c53987fd6">&#9670;&#160;</a></span>LOCALITY</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p>The·method·to·use·for·the·calculation·of·the·electrostatic·potential.·</p>114 <p>The·method·to·use·for·the·calculation·of·the·electrostatic·potential.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">electrostaticPotentialCalculator.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 </div><!--·contents·-->118 </div><!--·contents·-->
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d9/dbe/a06759.html">List·of·all·members</a>··</div>79 <a·href="../../d9/dbe/a06759.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::AdditionalBagProperties_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::AdditionalBagProperties_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a63cc5077b4d834b3a3242295eba69514"·id="r_a63cc5077b4d834b3a3242295eba69514"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a63cc5077b4d834b3a3242295eba69514">AdditionalBagProperties_</a>·()</td></tr>87 <tr·class="memitem:a63cc5077b4d834b3a3242295eba69514"·id="r_a63cc5077b4d834b3a3242295eba69514"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a63cc5077b4d834b3a3242295eba69514">AdditionalBagProperties_</a>·()</td></tr>
88 <tr·class="separator:a63cc5077b4d834b3a3242295eba69514"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a63cc5077b4d834b3a3242295eba69514"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a5780306caab672bad5e036f86b2719d7"·id="r_a5780306caab672bad5e036f86b2719d7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a5780306caab672bad5e036f86b2719d7">AdditionalBagProperties_</a>·(<a·class="el"·href="../../d3/dd7/a06762.html">AdditionalBagProperties_</a>·const·&amp;copy)</td></tr>89 <tr·class="memitem:a5780306caab672bad5e036f86b2719d7"·id="r_a5780306caab672bad5e036f86b2719d7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a5780306caab672bad5e036f86b2719d7">AdditionalBagProperties_</a>·(<a·class="el"·href="../../d3/dd7/a06762.html">AdditionalBagProperties_</a>·const·&amp;copy)</td></tr>
90 <tr·class="separator:a5780306caab672bad5e036f86b2719d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a5780306caab672bad5e036f86b2719d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 <tr·class="separator:a3f544585ba7e6d5a2c322f0fa01b717c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a3f544585ba7e6d5a2c322f0fa01b717c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a816fb27cdf3a1984306903d5cdd5a923"·id="r_a816fb27cdf3a1984306903d5cdd5a923"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a816fb27cdf3a1984306903d5cdd5a923">table</a></td></tr>101 <tr·class="memitem:a816fb27cdf3a1984306903d5cdd5a923"·id="r_a816fb27cdf3a1984306903d5cdd5a923"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd7/a06762.html#a816fb27cdf3a1984306903d5cdd5a923">table</a></td></tr>
102 <tr·class="separator:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a816fb27cdf3a1984306903d5cdd5a923"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>Contains·informations·about·a·bag·which·are·computed·during·the·bond·assignment·algorithm.·Later,·this·informations·are·used·by·the·backtracking.·</p>105 <div·class="textblock"><p>Contains·informations·about·a·bag·which·are·computed·during·the·bond·assignment·algorithm.·Later,·this·informations·are·used·by·the·backtracking.·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00434">434</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a63cc5077b4d834b3a3242295eba69514"·name="a63cc5077b4d834b3a3242295eba69514"></a>108 <a·id="a63cc5077b4d834b3a3242295eba69514"·name="a63cc5077b4d834b3a3242295eba69514"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc5077b4d834b3a3242295eba69514">&#9670;&#160;</a></span>AdditionalBagProperties_()·<span·class="overload">[1/2]</span></h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc5077b4d834b3a3242295eba69514">&#9670;&#160;</a></span>AdditionalBagProperties_()·<span·class="overload">[1/2]</span></h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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191 ········<tr>191 ········<tr>
192 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d7/d46/a03430.html#ae274e94fd3c83c9c2736e080a41a6b3c">MolecularGraphTraits::EdgeType</a>&gt;·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::bonds</td>192 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d7/d46/a03430.html#ae274e94fd3c83c9c2736e080a41a6b3c">MolecularGraphTraits::EdgeType</a>&gt;·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::bonds</td>
193 ········</tr>193 ········</tr>
194 ······</table>194 ······</table>
195 </div><div·class="memdoc">195 </div><div·class="memdoc">
196 <p>bonds·in·this·bag·</p>196 <p>bonds·in·this·bag·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00460">460</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00460">460</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 <a·id="a816fb27cdf3a1984306903d5cdd5a923"·name="a816fb27cdf3a1984306903d5cdd5a923"></a>200 <a·id="a816fb27cdf3a1984306903d5cdd5a923"·name="a816fb27cdf3a1984306903d5cdd5a923"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#a816fb27cdf3a1984306903d5cdd5a923">&#9670;&#160;</a></span>table</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#a816fb27cdf3a1984306903d5cdd5a923">&#9670;&#160;</a></span>table</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
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208 ········<tr>208 ········<tr>
209 ··········<td·class="memname"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>*·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::table</td>209 ··········<td·class="memname"><a·class="el"·href="../../dc/df1/a06758.html">DPTable_</a>*·BALL::FPTBondOrderStrategy::AdditionalBagProperties_::table</td>
210 ········</tr>210 ········</tr>
211 ······</table>211 ······</table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
213 <p>The·table·of·this·bag.·Is·computed·during·the·bond·assignment·</p>213 <p>The·table·of·this·bag.·Is·computed·during·the·bond·assignment·</p>
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00465">465</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00465">465</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 </div><!--·contents·-->217 </div><!--·contents·-->
218 <!--·start·footer·part·-->218 <!--·start·footer·part·-->
219 <hr·class="footer"/><address·class="footer"><small>219 <hr·class="footer"/><address·class="footer"><small>
220 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8220 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;79 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
80 <a·href="../../d9/d1d/a07099.html">List·of·all·members</a>··</div>80 <a·href="../../d9/d1d/a07099.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>87 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da2/a07106.html">IncompatibleCoordinateSets</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da2/a07106.html">IncompatibleCoordinateSets</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d25/a07110.html">TooFewCoordinates</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d25/a07110.html">TooFewCoordinates</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 <tr·class="separator:af7b43c73fb2acec632a4aeebbc8d1fe9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:af7b43c73fb2acec632a4aeebbc8d1fe9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:a33a0623563553fe4f4264f6d611df753"·id="r_a33a0623563553fe4f4264f6d611df753"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd9/a07102.html#a33a0623563553fe4f4264f6d611df753">minimizeRMSD</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;a,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;b)</td></tr>107 <tr·class="memitem:a33a0623563553fe4f4264f6d611df753"·id="r_a33a0623563553fe4f4264f6d611df753"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd9/a07102.html#a33a0623563553fe4f4264f6d611df753">minimizeRMSD</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;a,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;b)</td></tr>
108 <tr·class="separator:a33a0623563553fe4f4264f6d611df753"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a33a0623563553fe4f4264f6d611df753"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock"><p>RMSD·minimizer·class.·This·class·computes·the·optimal·transformation·mapping·one·set·of·three-dimensional·points·onto·another·set·of·points.·It·implements·the·algorithm·by·Coutsalis·et·al.·(J.·Comput.·Chem.,·25(15),·1849·(2004)),·which·computes·the·RMSD-optimal·transformation·by·solving·an·eigenvalue·problem.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>111 <div·class="textblock"><p>RMSD·minimizer·class.·This·class·computes·the·optimal·transformation·mapping·one·set·of·three-dimensional·points·onto·another·set·of·points.·It·implements·the·algorithm·by·Coutsalis·et·al.·(J.·Comput.·Chem.,·25(15),·1849·(2004)),·which·computes·the·RMSD-optimal·transformation·by·solving·an·eigenvalue·problem.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d92/a01796_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d92/a01796_source.html">RMSDMinimizer.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
113 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>113 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
114 <a·id="afb8d01d24b82c5f61f4b786f17e230ef"·name="afb8d01d24b82c5f61f4b786f17e230ef"></a>114 <a·id="afb8d01d24b82c5f61f4b786f17e230ef"·name="afb8d01d24b82c5f61f4b786f17e230ef"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#afb8d01d24b82c5f61f4b786f17e230ef">&#9670;&#160;</a></span>PointVector</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#afb8d01d24b82c5f61f4b786f17e230ef">&#9670;&#160;</a></span>PointVector</h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
119 ········<tr>119 ········<tr>
120 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#afb8d01d24b82c5f61f4b786f17e230ef">BALL::RMSDMinimizer::PointVector</a></td>120 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#afb8d01d24b82c5f61f4b786f17e230ef">BALL::RMSDMinimizer::PointVector</a></td>
121 ········</tr>121 ········</tr>
122 ······</table>122 ······</table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d92/a01796_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/d92/a01796_source.html">RMSDMinimizer.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
127 <a·id="a16f5d9574b81df14213e4a262a675fc1"·name="a16f5d9574b81df14213e4a262a675fc1"></a>127 <a·id="a16f5d9574b81df14213e4a262a675fc1"·name="a16f5d9574b81df14213e4a262a675fc1"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a16f5d9574b81df14213e4a262a675fc1">&#9670;&#160;</a></span>Result</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a16f5d9574b81df14213e4a262a675fc1">&#9670;&#160;</a></span>Result</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
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136 ······<table·class="memname">136 ······<table·class="memname">
137 ········<tr>137 ········<tr>
138 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#a16f5d9574b81df14213e4a262a675fc1">BALL::RMSDMinimizer::Result</a></td>138 ··········<td·class="memname">typedef·std::pair&lt;<a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../d3/dd9/a07102.html#a16f5d9574b81df14213e4a262a675fc1">BALL::RMSDMinimizer::Result</a></td>
139 ········</tr>139 ········</tr>
140 ······</table>140 ······</table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d92/a01796_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/d92/a01796_source.html">RMSDMinimizer.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
  
143 </div>143 </div>
144 </div>144 </div>
145 <h2·class="groupheader">Member·Function·Documentation</h2>145 <h2·class="groupheader">Member·Function·Documentation</h2>
146 <a·id="a209c81d1e2abd02db2f527bbc6c52b06"·name="a209c81d1e2abd02db2f527bbc6c52b06"></a>146 <a·id="a209c81d1e2abd02db2f527bbc6c52b06"·name="a209c81d1e2abd02db2f527bbc6c52b06"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a209c81d1e2abd02db2f527bbc6c52b06">&#9670;&#160;</a></span>computeTransformation()·<span·class="overload">[1/2]</span></h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a209c81d1e2abd02db2f527bbc6c52b06">&#9670;&#160;</a></span>computeTransformation()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·flexDefinition.h·File·Reference</title>8 <title>BALL:·modularWidgetPluginHandler.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">flexDefinition.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modularWidgetPluginHandler.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d3/ddc/a01142_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/ddc/a01142_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html">BALL::FlexDefinition</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d40/a08146.html">BALL::VIEW::ModularWidgetPluginHandler</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>97 </table>
95 </div><!--·contents·-->98 </div><!--·contents·-->
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/db9/a05591.html">List·of·all·members</a>··</div>77 <a·href="../../d0/db9/a05591.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ALLModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ALLModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/dd1/a00914_source.html">BALL/QSAR/allModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd3/a00428_source.html">BALL/QSAR/allModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::ALLModel:</div>83 Inheritance·diagram·for·BALL::QSAR::ALLModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/ddd/a05594.png"·usemap="#BALL::QSAR::ALLModel_map"·alt=""/>86 ··<img·src="../../d3/ddd/a05594.png"·usemap="#BALL::QSAR::ALLModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::ALLModel_map"·name="BALL::QSAR::ALLModel_map">87 ··<map·id="BALL::QSAR::ALLModel_map"·name="BALL::QSAR::ALLModel_map">
88 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="0,112,188,136"/>88 <area·href="../../d5/d95/a05786.html"·alt="BALL::QSAR::NonLinearModel"·shape="rect"·coords="0,112,188,136"/>
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263 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>263 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
264 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>264 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
265 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>265 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
266 </table>266 </table>
267 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>267 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
268 <div·class="textblock"><p>class·for·automated·lazy·learning·(ALL-QSAR)·</p>268 <div·class="textblock"><p>class·for·automated·lazy·learning·(ALL-QSAR)·</p>
  
269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd1/a00914_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d3/dd1/a00914_source.html">allModel.h</a>.</p>269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
270 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>270 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
271 <a·id="a4dae49a1dd69f6aa3752d91e0a4594ba"·name="a4dae49a1dd69f6aa3752d91e0a4594ba"></a>271 <a·id="a4dae49a1dd69f6aa3752d91e0a4594ba"·name="a4dae49a1dd69f6aa3752d91e0a4594ba"></a>
272 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dae49a1dd69f6aa3752d91e0a4594ba">&#9670;&#160;</a></span>ALLModel()</h2>272 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dae49a1dd69f6aa3752d91e0a4594ba">&#9670;&#160;</a></span>ALLModel()</h2>
  
273 <div·class="memitem">273 <div·class="memitem">
274 <div·class="memproto">274 <div·class="memproto">
275 ······<table·class="memname">275 ······<table·class="memname">
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737 ··</tr>737 ··</tr>
738 </table>738 </table>
739 </div><div·class="memdoc">739 </div><div·class="memdoc">
740 <p>automated·lazy·learning·does·not·have·a·seperate·training·step·</p>740 <p>automated·lazy·learning·does·not·have·a·seperate·training·step·</p>
  
741 <p>Implements·<a·class="el"·href="../../d9/dc9/a05774.html#ab6d19a548d68a44fcdc17021577d7212">BALL::QSAR::Model</a>.</p>741 <p>Implements·<a·class="el"·href="../../d9/dc9/a05774.html#ab6d19a548d68a44fcdc17021577d7212">BALL::QSAR::Model</a>.</p>
  
742 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd1/a00914_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d3/dd1/a00914_source.html">allModel.h</a>.</p>742 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
  
743 </div>743 </div>
744 </div>744 </div>
745 <h2·class="groupheader">Member·Data·Documentation</h2>745 <h2·class="groupheader">Member·Data·Documentation</h2>
746 <a·id="acc86594e6cc96cfae46e620f8e354cf8"·name="acc86594e6cc96cfae46e620f8e354cf8"></a>746 <a·id="acc86594e6cc96cfae46e620f8e354cf8"·name="acc86594e6cc96cfae46e620f8e354cf8"></a>
747 <h2·class="memtitle"><span·class="permalink"><a·href="#acc86594e6cc96cfae46e620f8e354cf8">&#9670;&#160;</a></span>kw_</h2>747 <h2·class="memtitle"><span·class="permalink"><a·href="#acc86594e6cc96cfae46e620f8e354cf8">&#9670;&#160;</a></span>kw_</h2>
  
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763 ··<td·class="mlabels-right">763 ··<td·class="mlabels-right">
764 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>764 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
765 ··</tr>765 ··</tr>
766 </table>766 </table>
767 </div><div·class="memdoc">767 </div><div·class="memdoc">
768 <p>kernel·width·</p>768 <p>kernel·width·</p>
  
769 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd1/a00914_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d3/dd1/a00914_source.html">allModel.h</a>.</p>769 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd3/a00428_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d4/dd3/a00428_source.html">allModel.h</a>.</p>
  
770 </div>770 </div>
771 </div>771 </div>
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773 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2257700017c5ce0b77e80e5dbe09e67">&#9670;&#160;</a></span>lambda_</h2>773 <h2·class="memtitle"><span·class="permalink"><a·href="#ac2257700017c5ce0b77e80e5dbe09e67">&#9670;&#160;</a></span>lambda_</h2>
  
774 <div·class="memitem">774 <div·class="memitem">
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787 ··</td>787 ··</td>
788 ··<td·class="mlabels-right">788 ··<td·class="mlabels-right">
789 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>789 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
790 ··</tr>790 ··</tr>
791 </table>791 </table>
792 </div><div·class="memdoc">792 </div><div·class="memdoc">
  
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797 <!--·start·footer·part·-->797 <!--·start·footer·part·-->
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/df5/a05735.html">List·of·all·members</a>··</div>77 <a·href="../../d0/df5/a05735.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPCRModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPCRModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d08/a01028_source.html">BALL/QSAR/kpcrModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d84/a00338_source.html">BALL/QSAR/kpcrModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::KPCRModel:</div>83 Inheritance·diagram·for·BALL::QSAR::KPCRModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d3/de0/a05738.png"·usemap="#BALL::QSAR::KPCRModel_map"·alt=""/>86 ··<img·src="../../d3/de0/a05738.png"·usemap="#BALL::QSAR::KPCRModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::KPCRModel_map"·name="BALL::QSAR::KPCRModel_map">87 ··<map·id="BALL::QSAR::KPCRModel_map"·name="BALL::QSAR::KPCRModel_map">
88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>
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296 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>296 <tr·class="separator:affba7da7e8ca3ee211a86c4d08774796·inherit·pro_attribs_a05746"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
297 </table>297 </table>
298 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>298 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
299 <div·class="textblock"><p>class·for·kernel·principal·component·regression·</p>299 <div·class="textblock"><p>class·for·kernel·principal·component·regression·</p>
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d08/a01028_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../db/d08/a01028_source.html">kpcrModel.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d84/a00338_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dc/d84/a00338_source.html">kpcrModel.h</a>.</p>
301 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>301 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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66 </div>66 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pcrModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">GAMESSDatFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d7/d98/a00983_source.html">BALL/QSAR/rrModel.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../d3/de5/a00956_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/de5/a00956_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
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89 Classes</h2></td></tr>87 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d03/a05818.html">BALL::QSAR::PCRModel</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df3/a03890.html">BALL::GAMESSDatFile</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html">BALL::GAMESSDatFile::block</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html">BALL::GAMESSDatFile::State</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
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94 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>99 </table>
100 </div><!--·contents·-->100 </div><!--·contents·-->
101 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">typeRuleProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">empiricalHSShiftProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/MATHS/cubicSpline2D.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;set&gt;</code><br·/>
 88 <code>#include·&lt;map&gt;</code><br·/>
82 </div>89 </div>
83 <p><a·href="../../d3/deb/a01619_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d3/deb/a01619_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">91 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>93 Classes</h2></td></tr>
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 97 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.··<a·href="../../df/d07/a05474.html#details">More...</a><br·/></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/de0/a05478.html">BALL::EmpiricalHSShiftProcessor::Default</a></td></tr>
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 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d3d/a05482.html">BALL::EmpiricalHSShiftProcessor::PropertiesForShift_</a></td></tr>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>107 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>108 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>109 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">CHPI.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">gridBasedScoring.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;set&gt;</code><br·/>
 85 <code>#include·&lt;map&gt;</code><br·/>
86 </div>86 </div>
87 <p><a·href="../../d3/def/a01985_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d3/def/a01985_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db1/a06238.html">BALL::CHPI::Option</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d23/a06242.html">BALL::CHPI::Default</a></td></tr>97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html">BALL::GridBasedScoring::GridSetsResult</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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103 Namespaces</h2></td></tr>101 Namespaces</h2></td></tr>
104 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::Substring::InvalidSubstring·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Substring::InvalidSubstring·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·invalid·substring·is·accessed.·This·exception·is·thrown·if·an·invalid·substring·is·to·be·used.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/da3/a03606.html#a2faa53e3eb3584be3cd3c7643a9a46f8">isValid</a>·</dd></dl>143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·invalid·substring·is·accessed.·This·exception·is·thrown·if·an·invalid·substring·is·to·be·used.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../de/da3/a03606.html#a2faa53e3eb3584be3cd3c7643a9a46f8">isValid</a>·</dd></dl>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l01413">1413</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">string.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d56/a00707_source.html#l01413">1413</a>·of·file·<a·class="el"·href="../../d1/d56/a00707_source.html">string.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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81 <p><code>#include·&lt;<a·class="el"·href="../../dd/deb/a01628_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>
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87 ··<map·id="BALL::AssignTypeNameProcessor_map"·name="BALL::AssignTypeNameProcessor_map">87 ··<map·id="BALL::AssignTypeNameProcessor_map"·name="BALL::AssignTypeNameProcessor_map">
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154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
155 <div·class="textblock"><p>Assign·type·names·to·atoms.·</p>155 <div·class="textblock"><p>Assign·type·names·to·atoms.·</p>
  
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78 ··<div·class="headertitle"><div·class="title">colorUnit.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">lennardJones.h·File·Reference</div></div>
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84 <code>#include·&lt;iostream&gt;</code><br·/> 
85 <code>#include·&lt;cstdio&gt;</code><br·/> 
86 <code>#include·&lt;BALL/VIEW/DATATYPE/colorUnit.iC&gt;</code><br·/> 
87 </div>83 </div>
88 <p><a·href="../../d3/df8/a00155_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d3/df8/a00155_source.html">Go·to·the·source·code·of·this·file.</a></p>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d42/a03419.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d42/a03419.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::IllegalStateException·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::IllegalStateException·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::GRAPH::IllegalStateException:</div>84 Inheritance·diagram·for·BALL::GRAPH::IllegalStateException:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d3/dff/a03422.png"·usemap="#BALL::GRAPH::IllegalStateException_map"·alt=""/>87 ··<img·src="../../d3/dff/a03422.png"·usemap="#BALL::GRAPH::IllegalStateException_map"·alt=""/>
88 ··<map·id="BALL::GRAPH::IllegalStateException_map"·name="BALL::GRAPH::IllegalStateException_map">88 ··<map·id="BALL::GRAPH::IllegalStateException_map"·name="BALL::GRAPH::IllegalStateException_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>is·thrown·if·a·operation·is·called·while·an·object·is·not·in·the·right·state·to·handle·it.·For·example,·if·you·have·to·set·some·options·or·call·some·other·methods·before·calling·the·operation.·</p>143 <div·class="textblock"><p>is·thrown·if·a·operation·is·called·while·an·object·is·not·in·the·right·state·to·handle·it.·For·example,·if·you·have·to·set·some·options·or·call·some·other·methods·before·calling·the·operation.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a6aadc2189de3537f186f351bddcd5916"·name="a6aadc2189de3537f186f351bddcd5916"></a>146 <a·id="a6aadc2189de3537f186f351bddcd5916"·name="a6aadc2189de3537f186f351bddcd5916"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aadc2189de3537f186f351bddcd5916">&#9670;&#160;</a></span>IllegalStateException()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a6aadc2189de3537f186f351bddcd5916">&#9670;&#160;</a></span>IllegalStateException()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/d39/a05707.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d39/a05707.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::FeatureSelectionParameterError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::FeatureSelectionParameterError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::FeatureSelectionParameterError:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::FeatureSelectionParameterError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/d00/a05710.png"·usemap="#BALL::QSAR::Exception::FeatureSelectionParameterError_map"·alt=""/>87 ··<img·src="../../d4/d00/a05710.png"·usemap="#BALL::QSAR::Exception::FeatureSelectionParameterError_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::FeatureSelectionParameterError_map"·name="BALL::QSAR::Exception::FeatureSelectionParameterError_map">88 ··<map·id="BALL::QSAR::Exception::FeatureSelectionParameterError_map"·name="BALL::QSAR::Exception::FeatureSelectionParameterError_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,335,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,335,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>exception·for·specification·of·an·invalid·parameters·for·feature·selection·</p>143 <div·class="textblock"><p>exception·for·specification·of·an·invalid·parameters·for·feature·selection·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a6e62351c95c0369a179da7992ce1a21b"·name="a6e62351c95c0369a179da7992ce1a21b"></a>146 <a·id="a6e62351c95c0369a179da7992ce1a21b"·name="a6e62351c95c0369a179da7992ce1a21b"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e62351c95c0369a179da7992ce1a21b">&#9670;&#160;</a></span>FeatureSelectionParameterError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e62351c95c0369a179da7992ce1a21b">&#9670;&#160;</a></span>FeatureSelectionParameterError()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../da/d90/a04063.html">List·of·all·members</a>··</div>79 <a·href="../../da/d90/a04063.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::MolecularSystem::ChemicalUnit·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::MolecularSystem::ChemicalUnit·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ac42e23fc31c8f49451e3b34dc5527e83"·id="r_ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#ac42e23fc31c8f49451e3b34dc5527e83">ChemicalUnit</a>·()</td></tr>87 <tr·class="memitem:ac42e23fc31c8f49451e3b34dc5527e83"·id="r_ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#ac42e23fc31c8f49451e3b34dc5527e83">ChemicalUnit</a>·()</td></tr>
88 <tr·class="separator:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ac42e23fc31c8f49451e3b34dc5527e83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a4d3a827614b3b3a90659d1a008735f28"·id="r_a4d3a827614b3b3a90659d1a008735f28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a4d3a827614b3b3a90659d1a008735f28">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>89 <tr·class="memitem:a4d3a827614b3b3a90659d1a008735f28"·id="r_a4d3a827614b3b3a90659d1a008735f28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a4d3a827614b3b3a90659d1a008735f28">operator&gt;&gt;</a>·(std::ostream·&amp;s)</td></tr>
90 <tr·class="separator:a4d3a827614b3b3a90659d1a008735f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a4d3a827614b3b3a90659d1a008735f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 <tr·class="memitem:a29e9a06aec1fb8e912539c89aa64b398"·id="r_a29e9a06aec1fb8e912539c89aa64b398"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a29e9a06aec1fb8e912539c89aa64b398">monomeric_polymer</a></td></tr>101 <tr·class="memitem:a29e9a06aec1fb8e912539c89aa64b398"·id="r_a29e9a06aec1fb8e912539c89aa64b398"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/daf/a04050.html">MonomericPolymer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a29e9a06aec1fb8e912539c89aa64b398">monomeric_polymer</a></td></tr>
102 <tr·class="separator:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a29e9a06aec1fb8e912539c89aa64b398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:a3c767eb8d91536ba2f3acc3847403d74"·id="r_a3c767eb8d91536ba2f3acc3847403d74"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a3c767eb8d91536ba2f3acc3847403d74">shifts</a></td></tr>103 <tr·class="memitem:a3c767eb8d91536ba2f3acc3847403d74"·id="r_a3c767eb8d91536ba2f3acc3847403d74"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d2c/a04042.html">NMRAtomDataSet</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d02/a04066.html#a3c767eb8d91536ba2f3acc3847403d74">shifts</a></td></tr>
104 <tr·class="separator:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a3c767eb8d91536ba2f3acc3847403d74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock">107 <div·class="textblock">
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ac42e23fc31c8f49451e3b34dc5527e83"·name="ac42e23fc31c8f49451e3b34dc5527e83"></a>110 <a·id="ac42e23fc31c8f49451e3b34dc5527e83"·name="ac42e23fc31c8f49451e3b34dc5527e83"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac42e23fc31c8f49451e3b34dc5527e83">&#9670;&#160;</a></span>ChemicalUnit()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac42e23fc31c8f49451e3b34dc5527e83">&#9670;&#160;</a></span>ChemicalUnit()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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170 ········<tr>170 ········<tr>
171 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::component_name</td>171 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::component_name</td>
172 ········</tr>172 ········</tr>
173 ······</table>173 ······</table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00389">389</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <a·id="a905e24674fe793800568434db3b62766"·name="a905e24674fe793800568434db3b62766"></a>178 <a·id="a905e24674fe793800568434db3b62766"·name="a905e24674fe793800568434db3b62766"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#a905e24674fe793800568434db3b62766">&#9670;&#160;</a></span>label</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#a905e24674fe793800568434db3b62766">&#9670;&#160;</a></span>label</h2>
  
180 <div·class="memitem">180 <div·class="memitem">
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186 ········<tr>186 ········<tr>
187 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::label</td>187 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::MolecularSystem::ChemicalUnit::label</td>
188 ········</tr>188 ········</tr>
189 ······</table>189 ······</table>
190 </div><div·class="memdoc">190 </div><div·class="memdoc">
  
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78 ··<div·class="headertitle"><div·class="title">mutator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">electrostaticPotentialCalculator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 83 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
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84 <p><a·href="../../d4/d07/a01913_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d07/a01913_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Disc·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Disc·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
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80 <div·class="contents">80 <div·class="contents">
  
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207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d4d/a00620_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/d4d/a00620_source.html">disc.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">disc.h</a>.</p>
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394 </div>394 </div>
395 </div>395 </div>
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8 <title>BALL:·geometricProperties.h·File·Reference</title>8 <title>BALL:·energy.doc·File·Reference</title>
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69 <div·id="nav-path"·class="navpath"> 
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul> 
72 </div> 
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79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;vector&gt;</code><br·/> 
89 </div> 
90 <p><a·href="../../d4/d0d/a01904_source.html">Go·to·the·source·code·of·this·file.</a></p> 
91 <table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
93 Classes</h2></td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d71/a06882.html">BALL::BoundingBoxProcessor</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3f/a06886.html">BALL::GeometricCenterProcessor</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d9b/a06890.html">BALL::FragmentDistanceCollector</a></td></tr> 
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100 </table><table·class="memberdecls"> 
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102 Namespaces</h2></td></tr> 
103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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105 </table><table·class="memberdecls"> 
106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
107 Functions</h2></td></tr> 
108 <tr><td·colspan="2"><div·class="groupHeader">Angle·Calculation</div></td></tr> 
109 <tr·class="memitem:a89010bfcbd323ec675b473e04be9ec5f"·id="r_a89010bfcbd323ec675b473e04be9ec5f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a89010bfcbd323ec675b473e04be9ec5f">BALL::calculateTorsionAngle</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a1,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a2,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a3,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a4)</td></tr> 
110 <tr·class="separator:a89010bfcbd323ec675b473e04be9ec5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
111 <tr·class="memitem:a4c7b510c61c529d96c2ab2124c0edd4b"·id="r_a4c7b510c61c529d96c2ab2124c0edd4b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a4c7b510c61c529d96c2ab2124c0edd4b">BALL::setTorsionAngle</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a1,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a2,·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a3,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a4,·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>·angle)</td></tr> 
112 <tr·class="separator:a4c7b510c61c529d96c2ab2124c0edd4b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
113 <tr·class="memitem:aa50c25e12028767377a633301f28f2d6"·id="r_aa50c25e12028767377a633301f28f2d6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#aa50c25e12028767377a633301f28f2d6">BALL::calculateBondAngle</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a1,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a2,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·&amp;a3)</td></tr> 
114 <tr·class="separator:aa50c25e12028767377a633301f28f2d6"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
115 </table> 
116 </div><!--·contents·-->74 </div><!--·contents·-->
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72 </div>72 </div>
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76 <a·href="#nested-classes">Classes</a>·&#124; 
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78 ··<div·class="headertitle"><div·class="title">headTrackingEvent.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">datatype.h·File·Reference</div></div>
79 </div><!--header-->76 </div><!--header-->
80 <div·class="contents">77 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;BALL/DATATYPE/binarySearchTree.h&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d3a/a00641_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../de/d98/a20341_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/de4/a00677_source.html">BALL/DATATYPE/list.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/DATATYPE/quadruple.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;BALL/DATATYPE/redBlackTree.h&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../df/dbb/a00698_source.html">BALL/DATATYPE/regularExpression.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;BALL/DATATYPE/splayTree.h&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/DATATYPE/stringHashSet.h</a>&gt;</code><br·/>
 94 <code>#include·&lt;BALL/DATATYPE/stringMap.h&gt;</code><br·/>
85 </div>95 </div>
86 <p><a·href="../../d4/d10/a00635_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../d4/d10/a00635_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls"> 
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
89 Classes</h2></td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/da5/a07762.html">BALL::VIEW::HeadTrackingEvent</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
94 Namespaces</h2></td></tr> 
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table> 
100 </div><!--·contents·-->97 </div><!--·contents·-->
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molecularStructure.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">regressionValidation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d65/a00458_source.html">BALL/VIEW/DIALOGS/amberConfigurationDialog.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d9/d34/a00476_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/VIEW/DIALOGS/charmmConfigurationDialog.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/VIEW/DIALOGS/MMFF94ConfigurationDialog.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d4/d33/a00536_source.html">BALL/VIEW/DIALOGS/assignBondOrderConfigurationDialog.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/VIEW/DIALOGS/assignBondOrderResultsDialog.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/VIEW/DIALOGS/generateCrystalDialog.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../d5/dc8/a01541_source.html">BALL/MOLMEC/CHARMM/charmm.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/> 
94 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>84 <code>#include·&lt;iterator&gt;</code><br·/>
95 </div>85 </div>
96 <p><a·href="../../d4/d13/a00377_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d4/d13/a00377_source.html">Go·to·the·source·code·of·this·file.</a></p>
97 <table·class="memberdecls">87 <table·class="memberdecls">
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
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104 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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107 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>97 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>99 </table>
110 </div><!--·contents·-->100 </div><!--·contents·-->
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112 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>
72 </div>72 </div>
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76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">point.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">version.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/df5/a00137_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d4/d14/a00608_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d14/a00608_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d41/a08186.html">BALL::VIEW::Point</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html">BALL::VersionInfo</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../dc/d7b/a07499.html">List·of·all·members</a>··</div>82 <a·href="../../dc/d7b/a07499.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VectorGridController·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VectorGridController·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::VectorGridController:</div>88 Inheritance·diagram·for·BALL::VIEW::VectorGridController:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d4/d15/a07502.png"·usemap="#BALL::VIEW::VectorGridController_map"·alt=""/>91 ··<img·src="../../d4/d15/a07502.png"·usemap="#BALL::VIEW::VectorGridController_map"·alt=""/>
92 ··<map·id="BALL::VIEW::VectorGridController_map"·name="BALL::VIEW::VectorGridController_map">92 ··<map·id="BALL::VIEW::VectorGridController_map"·name="BALL::VIEW::VectorGridController_map">
93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="107,56,311,80"/>93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="107,56,311,80"/>
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246 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>246 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
247 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>247 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
248 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock"><p>Controller·class·for·VectorGrid·</p>251 <div·class="textblock"><p>Controller·class·for·VectorGrid·</p>
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00257">257</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
254 <a·id="a91f6626484cd0691185e0a1ed2f005a3"·name="a91f6626484cd0691185e0a1ed2f005a3"></a>254 <a·id="a91f6626484cd0691185e0a1ed2f005a3"·name="a91f6626484cd0691185e0a1ed2f005a3"></a>
255 <h2·class="memtitle"><span·class="permalink"><a·href="#a91f6626484cd0691185e0a1ed2f005a3">&#9670;&#160;</a></span>VectorGridController()·<span·class="overload">[1/2]</span></h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a91f6626484cd0691185e0a1ed2f005a3">&#9670;&#160;</a></span>VectorGridController()·<span·class="overload">[1/2]</span></h2>
  
256 <div·class="memitem">256 <div·class="memitem">
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258 ······<table·class="memname">258 ······<table·class="memname">
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541 ··</td>541 ··</td>
542 ··<td·class="mlabels-right">542 ··<td·class="mlabels-right">
543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
544 ··</tr>544 ··</tr>
545 </table>545 </table>
546 </div><div·class="memdoc">546 </div><div·class="memdoc">
  
547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
548 </div>548 </div>
549 </div>549 </div>
550 <a·id="a34da0d876ba862f4f44c6d63bfe67a25"·name="a34da0d876ba862f4f44c6d63bfe67a25"></a>550 <a·id="a34da0d876ba862f4f44c6d63bfe67a25"·name="a34da0d876ba862f4f44c6d63bfe67a25"></a>
551 <h2·class="memtitle"><span·class="permalink"><a·href="#a34da0d876ba862f4f44c6d63bfe67a25">&#9670;&#160;</a></span>type</h2>551 <h2·class="memtitle"><span·class="permalink"><a·href="#a34da0d876ba862f4f44c6d63bfe67a25">&#9670;&#160;</a></span>type</h2>
  
552 <div·class="memitem">552 <div·class="memitem">
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565 ··</td>565 ··</td>
566 ··<td·class="mlabels-right">566 ··<td·class="mlabels-right">
567 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>567 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
568 ··</tr>568 ··</tr>
569 </table>569 </table>
570 </div><div·class="memdoc">570 </div><div·class="memdoc">
  
571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00290">290</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00290">290</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
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577 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8577 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyBonds·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyBonds·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.··82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.··
83 ·<a·href="../../d4/d1a/a03154.html#details">More...</a></p>83 ·<a·href="../../d4/d1a/a03154.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::Exception::TooManyBonds:</div>86 Inheritance·diagram·for·BALL::Exception::TooManyBonds:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d4/d1a/a03154.png"·usemap="#BALL::Exception::TooManyBonds_map"·alt=""/>89 ··<img·src="../../d4/d1a/a03154.png"·usemap="#BALL::Exception::TooManyBonds_map"·alt=""/>
90 ··<map·id="BALL::Exception::TooManyBonds_map"·name="BALL::Exception::TooManyBonds_map">90 ··<map·id="BALL::Exception::TooManyBonds_map"·name="BALL::Exception::TooManyBonds_map">
91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.·</p>146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·bonds·for·one·atom.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00436">436</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a6ab5517c5204ec49e8870069cf4954c6"·name="a6ab5517c5204ec49e8870069cf4954c6"></a>149 <a·id="a6ab5517c5204ec49e8870069cf4954c6"·name="a6ab5517c5204ec49e8870069cf4954c6"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ab5517c5204ec49e8870069cf4954c6">&#9670;&#160;</a></span>TooManyBonds()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ab5517c5204ec49e8870069cf4954c6">&#9670;&#160;</a></span>TooManyBonds()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/de5/a03279.html">List·of·all·members</a>··</div>78 <a·href="../../d0/de5/a03279.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Factory&lt;·T·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Factory&lt;·T·&gt;·Class·Template·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/d06/a01403_source.html">BALL/CONCEPT/factory.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d60/a00818_source.html">BALL/CONCEPT/factory.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
85 Static·Public·Member·Functions</h2></td></tr>85 Static·Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a8f2b33ab484fc0173337ed87a0e2692e"·id="r_a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">create</a>·()</td></tr>86 <tr·class="memitem:a8f2b33ab484fc0173337ed87a0e2692e"·id="r_a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#a8f2b33ab484fc0173337ed87a0e2692e">create</a>·()</td></tr>
87 <tr·class="memdesc:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·pointer·to·a·new·instance·of·T.··<br·/></td></tr>87 <tr·class="memdesc:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·pointer·to·a·new·instance·of·T.··<br·/></td></tr>
88 <tr·class="separator:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a8f2b33ab484fc0173337ed87a0e2692e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:afccc2715b8c58238a70ee303e14178b2"·id="r_afccc2715b8c58238a70ee303e14178b2"><td·class="memItemLeft"·align="right"·valign="top">static·void·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#afccc2715b8c58238a70ee303e14178b2">createVoid</a>·()</td></tr>89 <tr·class="memitem:afccc2715b8c58238a70ee303e14178b2"·id="r_afccc2715b8c58238a70ee303e14178b2"><td·class="memItemLeft"·align="right"·valign="top">static·void·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1b/a03282.html#afccc2715b8c58238a70ee303e14178b2">createVoid</a>·()</td></tr>
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94 <tr·class="memdesc:ad3b5dd6762293be14b285f503bf0aff1"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·reference·to·a·(pre-instantiated)·default·object.··<br·/></td></tr>94 <tr·class="memdesc:ad3b5dd6762293be14b285f503bf0aff1"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Return·a·reference·to·a·(pre-instantiated)·default·object.··<br·/></td></tr>
95 <tr·class="separator:ad3b5dd6762293be14b285f503bf0aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:ad3b5dd6762293be14b285f503bf0aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>97 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
98 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>98 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
99 class·BALL::Factory&lt;·T·&gt;</div><p><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·type·it·was·parameterized·with.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>99 class·BALL::Factory&lt;·T·&gt;</div><p><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·type·it·was·parameterized·with.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">factory.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
101 </div><h2·class="groupheader">Member·Function·Documentation</h2>101 </div><h2·class="groupheader">Member·Function·Documentation</h2>
102 <a·id="a8f2b33ab484fc0173337ed87a0e2692e"·name="a8f2b33ab484fc0173337ed87a0e2692e"></a>102 <a·id="a8f2b33ab484fc0173337ed87a0e2692e"·name="a8f2b33ab484fc0173337ed87a0e2692e"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f2b33ab484fc0173337ed87a0e2692e">&#9670;&#160;</a></span>create()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f2b33ab484fc0173337ed87a0e2692e">&#9670;&#160;</a></span>create()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <div·class="memtemplate">106 <div·class="memtemplate">
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123 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>123 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
124 ··</tr>124 ··</tr>
125 </table>125 </table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p>Return·a·pointer·to·a·new·instance·of·T.·</p>127 <p>Return·a·pointer·to·a·new·instance·of·T.·</p>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">factory.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <a·id="afccc2715b8c58238a70ee303e14178b2"·name="afccc2715b8c58238a70ee303e14178b2"></a>131 <a·id="afccc2715b8c58238a70ee303e14178b2"·name="afccc2715b8c58238a70ee303e14178b2"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#afccc2715b8c58238a70ee303e14178b2">&#9670;&#160;</a></span>createVoid()</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#afccc2715b8c58238a70ee303e14178b2">&#9670;&#160;</a></span>createVoid()</h2>
  
133 <div·class="memitem">133 <div·class="memitem">
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154 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>154 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
155 ··</tr>155 ··</tr>
156 </table>156 </table>
157 </div><div·class="memdoc">157 </div><div·class="memdoc">
  
158 <p>Return·a·void·pointer·to·a·new·instance·of·T.·</p>158 <p>Return·a·void·pointer·to·a·new·instance·of·T.·</p>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">factory.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 <a·id="ad3b5dd6762293be14b285f503bf0aff1"·name="ad3b5dd6762293be14b285f503bf0aff1"></a>162 <a·id="ad3b5dd6762293be14b285f503bf0aff1"·name="ad3b5dd6762293be14b285f503bf0aff1"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3b5dd6762293be14b285f503bf0aff1">&#9670;&#160;</a></span>getDefault()</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3b5dd6762293be14b285f503bf0aff1">&#9670;&#160;</a></span>getDefault()</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
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185 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>185 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
186 ··</tr>186 ··</tr>
187 </table>187 </table>
188 </div><div·class="memdoc">188 </div><div·class="memdoc">
  
189 <p>Return·a·reference·to·a·(pre-instantiated)·default·object.·</p>189 <p>Return·a·reference·to·a·(pre-instantiated)·default·object.·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">factory.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d60/a00818_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/d60/a00818_source.html">factory.h</a>.</p>
  
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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78 ··<div·class="headertitle"><div·class="title">generateCrystalDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecule.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_generateCrystalDialog.h&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/KERNEL/fragmentIterator.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d4/d1e/a00497_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d1e/a00497_source.html">Go·to·the·source·code·of·this·file.</a></p>
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105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MotionTrackingEvent·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MotionTrackingEvent·Class·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
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112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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201 </div>201 </div>
202 </div>202 </div>
203 <a·id="a8887c7e90ee06d35b3b1833fce2a1610"·name="a8887c7e90ee06d35b3b1833fce2a1610"></a>203 <a·id="a8887c7e90ee06d35b3b1833fce2a1610"·name="a8887c7e90ee06d35b3b1833fce2a1610"></a>
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205 <div·class="memitem">205 <div·class="memitem">
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8 <title>BALL:·openSavePreferences.h·File·Reference</title>8 <title>BALL:·atomContainer.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">openSavePreferences.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">atomContainer.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code><br·/>
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82 <code>#include·&lt;BALL/VIEW/UIC/ui_openSavePreferences.h&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
84 </div>84 </div>
85 <p><a·href="../../d4/d1f/a00506_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d1f/a00506_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d1f/a00506_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d4/d1f/a00506_source.html">atomContainer.h</a>.</p>
  
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100 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">selectable.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">camera.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;BALL/CONCEPT/selectable.iC&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
85 </div>84 </div>
86 <p><a·href="../../d4/d20/a01421_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d20/a01421_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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99 Macros</h2></td></tr> 
100 <tr·class="memitem:acd344e9aa65175e384e210efb4325118"·id="r_acd344e9aa65175e384e210efb4325118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a01421.html#acd344e9aa65175e384e210efb4325118">BALL_SELECTABLE_DEFAULT_SELECTION</a>&#160;&#160;&#160;false</td></tr> 
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102 </table>98 </table>
103 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
104 <a·id="acd344e9aa65175e384e210efb4325118"·name="acd344e9aa65175e384e210efb4325118"></a> 
105 <h2·class="memtitle"><span·class="permalink"><a·href="#acd344e9aa65175e384e210efb4325118">&#9670;&#160;</a></span>BALL_SELECTABLE_DEFAULT_SELECTION</h2> 
  
106 <div·class="memitem"> 
107 <div·class="memproto"> 
108 ······<table·class="memname"> 
109 ········<tr> 
110 ··········<td·class="memname">#define·BALL_SELECTABLE_DEFAULT_SELECTION&#160;&#160;&#160;false</td> 
111 ········</tr> 
112 ······</table> 
113 </div><div·class="memdoc"> 
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d20/a01421_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d4/d20/a01421_source.html">selectable.h</a>.</p> 
  
115 </div> 
116 </div> 
117 </div><!--·contents·-->99 </div><!--·contents·-->
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81 ··<div·class="headertitle"><div·class="title">BALL::PyKernel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::PyKernel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
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120 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93"·id="r_a5b2b193d07a4097cb745974c7daecb93"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>120 <tr·class="memitem:a5b2b193d07a4097cb745974c7daecb93"·id="r_a5b2b193d07a4097cb745974c7daecb93"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html#a5b2b193d07a4097cb745974c7daecb93">loadScriptDir</a>·()</td></tr>
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123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock">124 <div·class="textblock">
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">pyKernel.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">pyKernel.h</a>.</p>
126 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>126 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
127 <a·id="a4be98ec88ca6215d67a248f61a31d3df"·name="a4be98ec88ca6215d67a248f61a31d3df"></a>127 <a·id="a4be98ec88ca6215d67a248f61a31d3df"·name="a4be98ec88ca6215d67a248f61a31d3df"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a4be98ec88ca6215d67a248f61a31d3df">&#9670;&#160;</a></span>KeyValArgs</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a4be98ec88ca6215d67a248f61a31d3df">&#9670;&#160;</a></span>KeyValArgs</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 ······<table·class="memname">131 ······<table·class="memname">
132 ········<tr>132 ········<tr>
133 ··········<td·class="memname">using·<a·class="el"·href="../../d4/d20/a05586.html#a4be98ec88ca6215d67a248f61a31d3df">BALL::PyKernel::KeyValArgs</a>·=··std::map&lt;std::string,·std::string&gt;</td>133 ··········<td·class="memname">using·<a·class="el"·href="../../d4/d20/a05586.html#a4be98ec88ca6215d67a248f61a31d3df">BALL::PyKernel::KeyValArgs</a>·=··std::map&lt;std::string,·std::string&gt;</td>
134 ········</tr>134 ········</tr>
135 ······</table>135 ······</table>
136 </div><div·class="memdoc">136 </div><div·class="memdoc">
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01493_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d2/d41/a01493_source.html">pyKernel.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">pyKernel.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a7cbeba1df075df15782cea9f3f75eb6f"·name="a7cbeba1df075df15782cea9f3f75eb6f"></a>141 <a·id="a7cbeba1df075df15782cea9f3f75eb6f"·name="a7cbeba1df075df15782cea9f3f75eb6f"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cbeba1df075df15782cea9f3f75eb6f">&#9670;&#160;</a></span>PyKernel()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cbeba1df075df15782cea9f3f75eb6f">&#9670;&#160;</a></span>PyKernel()</h2>
  
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378 ······<table·class="memname">378 ······<table·class="memname">
379 ········<tr>379 ········<tr>
380 ··········<td·class="memname">virtual·<a·class="el"·href="../../d6/d95/a20350.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::PyKernel::runFile·</td>380 ··········<td·class="memname">virtual·<a·class="el"·href="../../d2/d7e/a20347.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::PyKernel::runFile·</td>
381 ··········<td>(</td>381 ··········<td>(</td>
382 ··········<td·class="paramtype">std::string&#160;</td>382 ··········<td·class="paramtype">std::string&#160;</td>
383 ··········<td·class="paramname"><em>filename</em></td><td>)</td>383 ··········<td·class="paramname"><em>filename</em></td><td>)</td>
384 ··········<td></td>384 ··········<td></td>
385 ········</tr>385 ········</tr>
386 ······</table>386 ······</table>
387 ··</td>387 ··</td>
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65 </div>65 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">resourceFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">networkPreferences.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01388_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../df/d68/a01385_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
87 <code>#include·&lt;BALL/FORMAT/resourceFile.iC&gt;</code><br·/>83 <code>#include·&lt;BALL/VIEW/UIC/ui_networkPreferences.h&gt;</code><br·/>
 84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
88 </div>85 </div>
89 <p><a·href="../../d4/d22/a01250_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d4/d22/a01250_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">87 <table·class="memberdecls">
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d36/a04430.html">BALL::ResourceEntry::IteratorTraits_</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d10/a04434.html">BALL::ResourceFile</a></td></tr> 
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
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81 <div·class="contents">81 <div·class="contents">
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82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/>
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 86 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
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85 <p><a·href="../../d4/d29/a01817_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d4/d29/a01817_source.html">Go·to·the·source·code·of·this·file.</a></p>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
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105 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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83 <div·class="contents">83 <div·class="contents">
  
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114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/ddc/a01142_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d3/ddc/a01142_source.html">flexDefinition.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">flexDefinition.h</a>.</p>
117 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>117 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
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135 </div>135 </div>
136 </div>136 </div>
137 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>137 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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65 </div>65 </div>
66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">forceFieldEvaluation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">fresnoTypes.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d4/d2e/a02051_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d4/d2e/a02051_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html">BALL::ForceFieldEvaluation</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html">BALL::FresnoTypes</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 <a·href="../../d2/db9/a06603.html">List·of·all·members</a>··</div>79 <a·href="../../d2/db9/a06603.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::SolventAtomDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::SolventAtomDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a2d83f139936494542b05e078ed234293"·id="r_a2d83f139936494542b05e078ed234293"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2f/a06606.html#a2d83f139936494542b05e078ed234293">SolventAtomDescriptor</a>·()</td></tr>87 <tr·class="memitem:a2d83f139936494542b05e078ed234293"·id="r_a2d83f139936494542b05e078ed234293"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2f/a06606.html#a2d83f139936494542b05e078ed234293">SolventAtomDescriptor</a>·()</td></tr>
88 <tr·class="separator:a2d83f139936494542b05e078ed234293"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a2d83f139936494542b05e078ed234293"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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99 <tr·class="memitem:a6f4f625284afdb51ecd9e1e0a662cdc9"·id="r_a6f4f625284afdb51ecd9e1e0a662cdc9"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2f/a06606.html#a6f4f625284afdb51ecd9e1e0a662cdc9">number_of_atoms</a></td></tr>99 <tr·class="memitem:a6f4f625284afdb51ecd9e1e0a662cdc9"·id="r_a6f4f625284afdb51ecd9e1e0a662cdc9"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2f/a06606.html#a6f4f625284afdb51ecd9e1e0a662cdc9">number_of_atoms</a></td></tr>
100 <tr·class="separator:a6f4f625284afdb51ecd9e1e0a662cdc9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a6f4f625284afdb51ecd9e1e0a662cdc9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p>This·struct·contains·the·information·for·one·atom·type·of·the·solvent·</p>103 <div·class="textblock"><p>This·struct·contains·the·information·for·one·atom·type·of·the·solvent·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a2d83f139936494542b05e078ed234293"·name="a2d83f139936494542b05e078ed234293"></a>106 <a·id="a2d83f139936494542b05e078ed234293"·name="a2d83f139936494542b05e078ed234293"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d83f139936494542b05e078ed234293">&#9670;&#160;</a></span>SolventAtomDescriptor()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d83f139936494542b05e078ed234293">&#9670;&#160;</a></span>SolventAtomDescriptor()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 <table·class="mlabels">110 <table·class="mlabels">
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123 ··</td>123 ··</td>
124 ··<td·class="mlabels-right">124 ··<td·class="mlabels-right">
125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
126 ··</tr>126 ··</tr>
127 </table>127 </table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <h2·class="groupheader">Member·Data·Documentation</h2>132 <h2·class="groupheader">Member·Data·Documentation</h2>
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134 <h2·class="memtitle"><span·class="permalink"><a·href="#abb59adab78d1d5cff925cc89e57f85da">&#9670;&#160;</a></span>element_symbol</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#abb59adab78d1d5cff925cc89e57f85da">&#9670;&#160;</a></span>element_symbol</h2>
  
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141 ········<tr>141 ········<tr>
142 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::SolventAtomDescriptor::element_symbol</td>142 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::SolventAtomDescriptor::element_symbol</td>
143 ········</tr>143 ········</tr>
144 ······</table>144 ······</table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·symbol·of·the·atom·</p>146 <p><a·class="el"·href="../../d9/d98/a04610.html">Element</a>·symbol·of·the·atom·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <a·id="a6f4f625284afdb51ecd9e1e0a662cdc9"·name="a6f4f625284afdb51ecd9e1e0a662cdc9"></a>150 <a·id="a6f4f625284afdb51ecd9e1e0a662cdc9"·name="a6f4f625284afdb51ecd9e1e0a662cdc9"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f4f625284afdb51ecd9e1e0a662cdc9">&#9670;&#160;</a></span>number_of_atoms</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f4f625284afdb51ecd9e1e0a662cdc9">&#9670;&#160;</a></span>number_of_atoms</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
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158 ········<tr>158 ········<tr>
159 ··········<td·class="memname">int·BALL::SolventAtomDescriptor::number_of_atoms</td>159 ··········<td·class="memname">int·BALL::SolventAtomDescriptor::number_of_atoms</td>
160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
163 <p>Number·of·atoms·of·this·kind·within·the·solvent·molecule·</p>163 <p>Number·of·atoms·of·this·kind·within·the·solvent·molecule·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <a·id="a3b1ef105a3a72fccf167f92d3bd7f11b"·name="a3b1ef105a3a72fccf167f92d3bd7f11b"></a>167 <a·id="a3b1ef105a3a72fccf167f92d3bd7f11b"·name="a3b1ef105a3a72fccf167f92d3bd7f11b"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b1ef105a3a72fccf167f92d3bd7f11b">&#9670;&#160;</a></span>radius</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b1ef105a3a72fccf167f92d3bd7f11b">&#9670;&#160;</a></span>radius</h2>
  
169 <div·class="memitem">169 <div·class="memitem">
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175 ········<tr>175 ········<tr>
176 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::SolventAtomDescriptor::radius</td>176 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::SolventAtomDescriptor::radius</td>
177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
180 <p>Radius·of·the·atom·in·units·of·Angstrom·</p>180 <p>Radius·of·the·atom·in·units·of·Angstrom·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <a·id="aec9cc6c431b9e1972cbd908e862472ed"·name="aec9cc6c431b9e1972cbd908e862472ed"></a>184 <a·id="aec9cc6c431b9e1972cbd908e862472ed"·name="aec9cc6c431b9e1972cbd908e862472ed"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#aec9cc6c431b9e1972cbd908e862472ed">&#9670;&#160;</a></span>type</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#aec9cc6c431b9e1972cbd908e862472ed">&#9670;&#160;</a></span>type</h2>
  
186 <div·class="memitem">186 <div·class="memitem">
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192 ········<tr>192 ········<tr>
193 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html#a89ed852f01240ac0100a1d581b8a4c6f">Atom::Type</a>·BALL::SolventAtomDescriptor::type</td>193 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html#a89ed852f01240ac0100a1d581b8a4c6f">Atom::Type</a>·BALL::SolventAtomDescriptor::type</td>
194 ········</tr>194 ········</tr>
195 ······</table>195 ······</table>
196 </div><div·class="memdoc">196 </div><div·class="memdoc">
197 <p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type·needed·for·assignment·of·Lennard-Jones·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·</p>197 <p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type·needed·for·assignment·of·Lennard-Jones·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·</p>
  
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
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200 </div>200 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../dc/de9/a06555.html">List·of·all·members</a>··</div>78 <a·href="../../dc/de9/a06555.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>
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86 <tr·class="memitem:a30e0b13d4b7f1f970e11dd9bdf1aa900"·id="r_a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a30e0b13d4b7f1f970e11dd9bdf1aa900">VERBOSITY</a></td></tr>86 <tr·class="memitem:a30e0b13d4b7f1f970e11dd9bdf1aa900"·id="r_a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a30e0b13d4b7f1f970e11dd9bdf1aa900">VERBOSITY</a></td></tr>
87 <tr·class="separator:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a30e0b13d4b7f1f970e11dd9bdf1aa900"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a86cf1991078715ba6e45a9c77812032d"·id="r_a86cf1991078715ba6e45a9c77812032d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a86cf1991078715ba6e45a9c77812032d">SOLVENT_NUMBER_DENSITY</a></td></tr>88 <tr·class="memitem:a86cf1991078715ba6e45a9c77812032d"·id="r_a86cf1991078715ba6e45a9c77812032d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a86cf1991078715ba6e45a9c77812032d">SOLVENT_NUMBER_DENSITY</a></td></tr>
89 <tr·class="separator:a86cf1991078715ba6e45a9c77812032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a86cf1991078715ba6e45a9c77812032d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:a8f06f91e711ab691ec533640684c3371"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a8f06f91e711ab691ec533640684c3371"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a57f517e09ae198f89cc2dacb7f041bac"·id="r_a57f517e09ae198f89cc2dacb7f041bac"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a57f517e09ae198f89cc2dacb7f041bac">PROBE_RADIUS</a></td></tr>95 <tr·class="memitem:a57f517e09ae198f89cc2dacb7f041bac"·id="r_a57f517e09ae198f89cc2dacb7f041bac"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d30/a06558.html#a57f517e09ae198f89cc2dacb7f041bac">PROBE_RADIUS</a></td></tr>
96 <tr·class="separator:a57f517e09ae198f89cc2dacb7f041bac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a57f517e09ae198f89cc2dacb7f041bac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../de/d9f/a06554.html#affad0f88c05801c25b0d85f4ffc22576">PierottiCavFreeEnergyProcessor::options</a>.·</p>99 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../de/d9f/a06554.html#affad0f88c05801c25b0d85f4ffc22576">PierottiCavFreeEnergyProcessor::options</a>.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
101 </div><h2·class="groupheader">Member·Data·Documentation</h2>101 </div><h2·class="groupheader">Member·Data·Documentation</h2>
102 <a·id="a8f06f91e711ab691ec533640684c3371"·name="a8f06f91e711ab691ec533640684c3371"></a>102 <a·id="a8f06f91e711ab691ec533640684c3371"·name="a8f06f91e711ab691ec533640684c3371"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f06f91e711ab691ec533640684c3371">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f06f91e711ab691ec533640684c3371">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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123 <dl·class="params"><dt>Parameters</dt><dd>123 <dl·class="params"><dt>Parameters</dt><dd>
124 ··<table·class="params">124 ··<table·class="params">
125 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>125 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>
126 ··</table>126 ··</table>
127 ··</dd>127 ··</dd>
128 </dl>128 </dl>
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <a·id="a095393d60b92d27a350ce03fe819d7a6"·name="a095393d60b92d27a350ce03fe819d7a6"></a>132 <a·id="a095393d60b92d27a350ce03fe819d7a6"·name="a095393d60b92d27a350ce03fe819d7a6"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a095393d60b92d27a350ce03fe819d7a6">&#9670;&#160;</a></span>PRESSURE</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a095393d60b92d27a350ce03fe819d7a6">&#9670;&#160;</a></span>PRESSURE</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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154 <dl·class="params"><dt>Parameters</dt><dd>154 <dl·class="params"><dt>Parameters</dt><dd>
155 ··<table·class="params">155 ··<table·class="params">
156 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>156 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>
157 ··</table>157 ··</table>
158 ··</dd>158 ··</dd>
159 </dl>159 </dl>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 <a·id="a57f517e09ae198f89cc2dacb7f041bac"·name="a57f517e09ae198f89cc2dacb7f041bac"></a>163 <a·id="a57f517e09ae198f89cc2dacb7f041bac"·name="a57f517e09ae198f89cc2dacb7f041bac"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f517e09ae198f89cc2dacb7f041bac">&#9670;&#160;</a></span>PROBE_RADIUS</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a57f517e09ae198f89cc2dacb7f041bac">&#9670;&#160;</a></span>PROBE_RADIUS</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
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185 <dl·class="params"><dt>Parameters</dt><dd>185 <dl·class="params"><dt>Parameters</dt><dd>
186 ··<table·class="params">186 ··<table·class="params">
187 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>187 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
188 ··</table>188 ··</table>
189 ··</dd>189 ··</dd>
190 </dl>190 </dl>
  
191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
192 </div>192 </div>
193 </div>193 </div>
194 <a·id="a86cf1991078715ba6e45a9c77812032d"·name="a86cf1991078715ba6e45a9c77812032d"></a>194 <a·id="a86cf1991078715ba6e45a9c77812032d"·name="a86cf1991078715ba6e45a9c77812032d"></a>
195 <h2·class="memtitle"><span·class="permalink"><a·href="#a86cf1991078715ba6e45a9c77812032d">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#a86cf1991078715ba6e45a9c77812032d">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
196 <div·class="memitem">196 <div·class="memitem">
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216 <dl·class="params"><dt>Parameters</dt><dd>216 <dl·class="params"><dt>Parameters</dt><dd>
217 ··<table·class="params">217 ··<table·class="params">
218 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>218 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>
219 ··</table>219 ··</table>
220 ··</dd>220 ··</dd>
221 </dl>221 </dl>
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="a30e0b13d4b7f1f970e11dd9bdf1aa900"·name="a30e0b13d4b7f1f970e11dd9bdf1aa900"></a>225 <a·id="a30e0b13d4b7f1f970e11dd9bdf1aa900"·name="a30e0b13d4b7f1f970e11dd9bdf1aa900"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#a30e0b13d4b7f1f970e11dd9bdf1aa900">&#9670;&#160;</a></span>VERBOSITY</h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a30e0b13d4b7f1f970e11dd9bdf1aa900">&#9670;&#160;</a></span>VERBOSITY</h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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247 <dl·class="params"><dt>Parameters</dt><dd>247 <dl·class="params"><dt>Parameters</dt><dd>
248 ··<table·class="params">248 ··<table·class="params">
249 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>249 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
250 ··</table>250 ··</table>
251 ··</dd>251 ··</dd>
252 </dl>252 </dl>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
254 </div>254 </div>
255 </div>255 </div>
256 </div><!--·contents·-->256 </div><!--·contents·-->
257 <!--·start·footer·part·-->257 <!--·start·footer·part·-->
258 <hr·class="footer"/><address·class="footer"><small>258 <hr·class="footer"/><address·class="footer"><small>
259 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8259 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/d45/a07339.html">List·of·all·members</a>··</div>77 <a·href="../../d8/d45/a07339.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Directory·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Directory·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/SYSTEM/directory.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/SYSTEM/directory.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a5e8f620305400afd032769c7aa341201"·id="r_a5e8f620305400afd032769c7aa341201"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a5e8f620305400afd032769c7aa341201">Directory</a>·()</td></tr>86 <tr·class="memitem:a5e8f620305400afd032769c7aa341201"·id="r_a5e8f620305400afd032769c7aa341201"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a5e8f620305400afd032769c7aa341201">Directory</a>·()</td></tr>
87 <tr·class="separator:a5e8f620305400afd032769c7aa341201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a5e8f620305400afd032769c7aa341201"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a7aeb38f6bbef5b0f136cd1a3f03c4269"·id="r_a7aeb38f6bbef5b0f136cd1a3f03c4269"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a7aeb38f6bbef5b0f136cd1a3f03c4269">Directory</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;directory_path,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·set_current=false)</td></tr>88 <tr·class="memitem:a7aeb38f6bbef5b0f136cd1a3f03c4269"·id="r_a7aeb38f6bbef5b0f136cd1a3f03c4269"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a7aeb38f6bbef5b0f136cd1a3f03c4269">Directory</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;directory_path,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·set_current=false)</td></tr>
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160 <tr·class="memitem:a093eaea2ab8b1249a8c381bc8b985d16"·id="r_a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">changeToUserHomeDir</a>·()</td></tr>160 <tr·class="memitem:a093eaea2ab8b1249a8c381bc8b985d16"·id="r_a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html#a093eaea2ab8b1249a8c381bc8b985d16">changeToUserHomeDir</a>·()</td></tr>
161 <tr·class="memdesc:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Goto·the·home·directory·of·the·current·user.··<br·/></td></tr>161 <tr·class="memdesc:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Goto·the·home·directory·of·the·current·user.··<br·/></td></tr>
162 <tr·class="separator:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>162 <tr·class="separator:a093eaea2ab8b1249a8c381bc8b985d16"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
163 </table>163 </table>
164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p><a·class="el"·href="../../d4/d33/a07342.html">Directory</a>·class.·&lt;&gt;·</p>165 <div·class="textblock"><p><a·class="el"·href="../../d4/d33/a07342.html">Directory</a>·class.·&lt;&gt;·</p>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">directory.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2c/a00764_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d3/d2c/a00764_source.html">directory.h</a>.</p>
167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
168 <a·id="a5e8f620305400afd032769c7aa341201"·name="a5e8f620305400afd032769c7aa341201"></a>168 <a·id="a5e8f620305400afd032769c7aa341201"·name="a5e8f620305400afd032769c7aa341201"></a>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">residueTorsions.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">triangleEdge.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d4/d41/a01661_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d41/a01661_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de2/a05442.html">BALL::ResidueTorsions</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d21/a07298.html">BALL::TriangleEdge</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dc0/a05446.html">BALL::ResidueTorsions::Data</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 98 Functions</h2></td></tr>
 99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 100 <tr·class="memitem:ga7f69ed03ff35ee1c7c122d2373a39479"·id="r_ga7f69ed03ff35ee1c7c122d2373a39479"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f69ed03ff35ee1c7c122d2373a39479">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../df/d21/a07298.html">TriangleEdge</a>·&amp;edge)</td></tr>
 101 <tr·class="separator:ga7f69ed03ff35ee1c7c122d2373a39479"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>102 </table>
98 </div><!--·contents·-->103 </div><!--·contents·-->
99 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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103 </body>108 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/dd0/a08595.html">List·of·all·members</a>··</div>79 <a·href="../../d4/dd0/a08595.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::SpaceGroupParameters·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::SpaceGroupParameters·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/XRAY/spaceGroupParameters.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d91/a00659_source.html">BALL/XRAY/spaceGroupParameters.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::SpaceGroupParameters:</div>85 Inheritance·diagram·for·BALL::SpaceGroupParameters:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/d46/a08598.png"·usemap="#BALL::SpaceGroupParameters_map"·alt=""/>88 ··<img·src="../../d4/d46/a08598.png"·usemap="#BALL::SpaceGroupParameters_map"·alt=""/>
89 ··<map·id="BALL::SpaceGroupParameters_map"·name="BALL::SpaceGroupParameters_map">89 ··<map·id="BALL::SpaceGroupParameters_map"·name="BALL::SpaceGroupParameters_map">
90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,184,24"/>90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,184,24"/>
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176 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>176 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>
177 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"·id="r_a9ac05e32ffcf916b92539170f61befd2"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>177 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"·id="r_a9ac05e32ffcf916b92539170f61befd2"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>
178 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 </table>179 </table>
180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>180 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
181 <div·class="textblock"><p><a·class="el"·href="../../d4/d46/a08598.html">SpaceGroupParameters</a>.·</p>181 <div·class="textblock"><p><a·class="el"·href="../../d4/d46/a08598.html">SpaceGroupParameters</a>.·</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">spaceGroupParameters.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">spaceGroupParameters.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="ad6ad4019b8cade9754d592a4ddd0517e"·name="ad6ad4019b8cade9754d592a4ddd0517e"></a>184 <a·id="ad6ad4019b8cade9754d592a4ddd0517e"·name="ad6ad4019b8cade9754d592a4ddd0517e"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ad4019b8cade9754d592a4ddd0517e">&#9670;&#160;</a></span>SpaceGroupParameters()</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ad4019b8cade9754d592a4ddd0517e">&#9670;&#160;</a></span>SpaceGroupParameters()</h2>
  
186 <div·class="memitem">186 <div·class="memitem">
187 <div·class="memproto">187 <div·class="memproto">
188 ······<table·class="memname">188 ······<table·class="memname">
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344 ··</td>344 ··</td>
345 ··<td·class="mlabels-right">345 ··<td·class="mlabels-right">
346 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>346 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
347 ··</tr>347 ··</tr>
348 </table>348 </table>
349 </div><div·class="memdoc">349 </div><div·class="memdoc">
  
350 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d77/a00683_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../db/d77/a00683_source.html">spaceGroupParameters.h</a>.</p>350 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">spaceGroupParameters.h</a>.</p>
  
351 </div>351 </div>
352 </div>352 </div>
353 </div><!--·contents·-->353 </div><!--·contents·-->
354 <!--·start·footer·part·-->354 <!--·start·footer·part·-->
355 <hr·class="footer"/><address·class="footer"><small>355 <hr·class="footer"/><address·class="footer"><small>
356 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8356 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/de4/a03047.html">List·of·all·members</a>··</div>77 <a·href="../../d2/de4/a03047.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Exception::GeneralException·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Exception::GeneralException·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Exception::GeneralException:</div>83 Inheritance·diagram·for·BALL::Exception::GeneralException:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/d47/a03050.png"·usemap="#BALL::Exception::GeneralException_map"·alt=""/>86 ··<img·src="../../d4/d47/a03050.png"·usemap="#BALL::Exception::GeneralException_map"·alt=""/>
87 ··<map·id="BALL::Exception::GeneralException_map"·name="BALL::Exception::GeneralException_map">87 ··<map·id="BALL::Exception::GeneralException_map"·name="BALL::Exception::GeneralException_map">
88 <area·href="../../d0/d2b/a03394.html"·alt="BALL::Bit::IllegalOperation"·shape="rect"·coords="345,112,680,136"/>88 <area·href="../../d0/d2b/a03394.html"·alt="BALL::Bit::IllegalOperation"·shape="rect"·coords="345,112,680,136"/>
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198 <tr·class="separator:a07260250495932d1794fe6c121c47df2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a07260250495932d1794fe6c121c47df2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 </table>199 </table>
200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
201 <div·class="textblock"><p>General·exception·class.·This·class·is·intended·as·a·base·class·for·all·other·exceptions.·Each·exception·class·should·define·a·constructor·taking·a·string·and·an·int·as·parameters.·These·two·values·are·interpreted·as·the·current·filename·and·line·number·and·is·usually·printed·in·case·of·an·uncaught·exception.·To·support·this·feature,·each·<b>throw</b>·directive·should·look·as·follows:·</p><dl·class="section·user"><dt></dt><dd><code><b>throw·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></b>(<b>FILE</b>,·<b>LINE</b>);</code>·</dd></dl>201 <div·class="textblock"><p>General·exception·class.·This·class·is·intended·as·a·base·class·for·all·other·exceptions.·Each·exception·class·should·define·a·constructor·taking·a·string·and·an·int·as·parameters.·These·two·values·are·interpreted·as·the·current·filename·and·line·number·and·is·usually·printed·in·case·of·an·uncaught·exception.·To·support·this·feature,·each·<b>throw</b>·directive·should·look·as·follows:·</p><dl·class="section·user"><dt></dt><dd><code><b>throw·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></b>(<b>FILE</b>,·<b>LINE</b>);</code>·</dd></dl>
202 <dl·class="section·user"><dt></dt><dd><code><b>FILE</b></code>·and·<code><b>LINE</b></code>·are·built-in·preprocessor·macros·that·hold·the·desired·information.·</dd></dl>202 <dl·class="section·user"><dt></dt><dd><code><b>FILE</b></code>·and·<code><b>LINE</b></code>·are·built-in·preprocessor·macros·that·hold·the·desired·information.·</dd></dl>
203 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../da/da2/a02217.html">BALL</a>·provides·its·own·<a·class="el"·href="../../d1/db4/a03174.html#a7d58a960e00efad97296cb4512aa1855">terminate·</a>·handler.·This·handler·extracts·as·much·information·as·possible·from·the·exception,·prints·it·to·<code>cerr</code>·and·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·,·and·finally·calls·exits·the·program·cleanly·(with·exit·code·1).·This·can·be·rather·inconvenient·for·debugging,·since·you·are·told·where·the·exception·was·thrown,·but·in·general·you·do·not·know·anything·about·the·context.·Therefore·<code>terminate</code>·can·also·create·a·core·dump.·Using·a·debugger·(e.g.·dbx·or·gdb)·you·can·then·create·a·stack·traceback.·To·create·a·core·dump,·you·should·set·the·environment·variable·<code>·BALL_DUMP_CORE</code>·to·any·(non·empty)·value.·</dd></dl>203 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../da/da2/a02217.html">BALL</a>·provides·its·own·<a·class="el"·href="../../d1/db4/a03174.html#a7d58a960e00efad97296cb4512aa1855">terminate·</a>·handler.·This·handler·extracts·as·much·information·as·possible·from·the·exception,·prints·it·to·<code>cerr</code>·and·<a·class="el"·href="../../da/dd3/a03198.html">Log·</a>·,·and·finally·calls·exits·the·program·cleanly·(with·exit·code·1).·This·can·be·rather·inconvenient·for·debugging,·since·you·are·told·where·the·exception·was·thrown,·but·in·general·you·do·not·know·anything·about·the·context.·Therefore·<code>terminate</code>·can·also·create·a·core·dump.·Using·a·debugger·(e.g.·dbx·or·gdb)·you·can·then·create·a·stack·traceback.·To·create·a·core·dump,·you·should·set·the·environment·variable·<code>·BALL_DUMP_CORE</code>·to·any·(non·empty)·value.·</dd></dl>
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
206 <a·id="a398de7f7a5d657c9a635f52d13a38c6d"·name="a398de7f7a5d657c9a635f52d13a38c6d"></a>206 <a·id="a398de7f7a5d657c9a635f52d13a38c6d"·name="a398de7f7a5d657c9a635f52d13a38c6d"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#a398de7f7a5d657c9a635f52d13a38c6d">&#9670;&#160;</a></span>GeneralException()·<span·class="overload">[1/4]</span></h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#a398de7f7a5d657c9a635f52d13a38c6d">&#9670;&#160;</a></span>GeneralException()·<span·class="overload">[1/4]</span></h2>
  
208 <div·class="memitem">208 <div·class="memitem">
209 <div·class="memproto">209 <div·class="memproto">
210 ······<table·class="memname">210 ······<table·class="memname">
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462 ··</td>462 ··</td>
463 ··<td·class="mlabels-right">463 ··<td·class="mlabels-right">
464 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>464 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
465 ··</tr>465 ··</tr>
466 </table>466 </table>
467 </div><div·class="memdoc">467 </div><div·class="memdoc">
  
468 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>468 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
469 </div>469 </div>
470 </div>470 </div>
471 <a·id="adb563a895f32222d148ab43bbd9b2362"·name="adb563a895f32222d148ab43bbd9b2362"></a>471 <a·id="adb563a895f32222d148ab43bbd9b2362"·name="adb563a895f32222d148ab43bbd9b2362"></a>
472 <h2·class="memtitle"><span·class="permalink"><a·href="#adb563a895f32222d148ab43bbd9b2362">&#9670;&#160;</a></span>line_</h2>472 <h2·class="memtitle"><span·class="permalink"><a·href="#adb563a895f32222d148ab43bbd9b2362">&#9670;&#160;</a></span>line_</h2>
  
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486 ··</td>486 ··</td>
487 ··<td·class="mlabels-right">487 ··<td·class="mlabels-right">
488 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>488 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
489 ··</tr>489 ··</tr>
490 </table>490 </table>
491 </div><div·class="memdoc">491 </div><div·class="memdoc">
  
492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
493 </div>493 </div>
494 </div>494 </div>
495 <a·id="a415b270e121a77e796024e30c5c2b24b"·name="a415b270e121a77e796024e30c5c2b24b"></a>495 <a·id="a415b270e121a77e796024e30c5c2b24b"·name="a415b270e121a77e796024e30c5c2b24b"></a>
496 <h2·class="memtitle"><span·class="permalink"><a·href="#a415b270e121a77e796024e30c5c2b24b">&#9670;&#160;</a></span>message_</h2>496 <h2·class="memtitle"><span·class="permalink"><a·href="#a415b270e121a77e796024e30c5c2b24b">&#9670;&#160;</a></span>message_</h2>
  
497 <div·class="memitem">497 <div·class="memitem">
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510 ··</td>510 ··</td>
511 ··<td·class="mlabels-right">511 ··<td·class="mlabels-right">
512 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>512 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
513 ··</tr>513 ··</tr>
514 </table>514 </table>
515 </div><div·class="memdoc">515 </div><div·class="memdoc">
  
516 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>516 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
517 </div>517 </div>
518 </div>518 </div>
519 <a·id="a9827a1d2efdd1dd119b848d6e10c82d7"·name="a9827a1d2efdd1dd119b848d6e10c82d7"></a>519 <a·id="a9827a1d2efdd1dd119b848d6e10c82d7"·name="a9827a1d2efdd1dd119b848d6e10c82d7"></a>
520 <h2·class="memtitle"><span·class="permalink"><a·href="#a9827a1d2efdd1dd119b848d6e10c82d7">&#9670;&#160;</a></span>name_</h2>520 <h2·class="memtitle"><span·class="permalink"><a·href="#a9827a1d2efdd1dd119b848d6e10c82d7">&#9670;&#160;</a></span>name_</h2>
  
521 <div·class="memitem">521 <div·class="memitem">
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534 ··</td>534 ··</td>
535 ··<td·class="mlabels-right">535 ··<td·class="mlabels-right">
536 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>536 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
537 ··</tr>537 ··</tr>
538 </table>538 </table>
539 </div><div·class="memdoc">539 </div><div·class="memdoc">
  
540 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>540 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
541 </div>541 </div>
542 </div>542 </div>
543 </div><!--·contents·-->543 </div><!--·contents·-->
544 <!--·start·footer·part·-->544 <!--·start·footer·part·-->
545 <hr·class="footer"/><address·class="footer"><small>545 <hr·class="footer"/><address·class="footer"><small>
546 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8546 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d3/d16/a04935.html">List·of·all·members</a>··</div>77 <a·href="../../d3/d16/a04935.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AmberBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AmberBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/MOLMEC/AMBER/amberBend.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/MOLMEC/AMBER/amberBend.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AmberBend:</div>83 Inheritance·diagram·for·BALL::AmberBend:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/d47/a04938.png"·usemap="#BALL::AmberBend_map"·alt=""/>86 ··<img·src="../../d4/d47/a04938.png"·usemap="#BALL::AmberBend_map"·alt=""/>
87 ··<map·id="BALL::AmberBend_map"·name="BALL::AmberBend_map">87 ··<map·id="BALL::AmberBend_map"·name="BALL::AmberBend_map">
88 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>88 <area·href="../../d7/dc7/a05066.html"·alt="BALL::BendComponent"·shape="rect"·coords="0,112,174,136"/>
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234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p>Amber·bond·stretch·component·</p>239 <div·class="textblock"><p>Amber·bond·stretch·component·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">amberBend.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/de7/a00014_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d2/de7/a00014_source.html">amberBend.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="ae4879adc67cda68a9df28a9d93f20851"·name="ae4879adc67cda68a9df28a9d93f20851"></a>242 <a·id="ae4879adc67cda68a9df28a9d93f20851"·name="ae4879adc67cda68a9df28a9d93f20851"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4879adc67cda68a9df28a9d93f20851">&#9670;&#160;</a></span>AmberBend()·<span·class="overload">[1/2]</span></h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#ae4879adc67cda68a9df28a9d93f20851">&#9670;&#160;</a></span>AmberBend()·<span·class="overload">[1/2]</span></h2>
  
244 <div·class="memitem">244 <div·class="memitem">
245 <div·class="memproto">245 <div·class="memproto">
246 ······<table·class="memname">246 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d5/d12/a07975.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d12/a07975.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MessageEvent·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MessageEvent·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::MessageEvent:</div>85 Inheritance·diagram·for·BALL::VIEW::MessageEvent:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/d47/a07978.png"·usemap="#BALL::VIEW::MessageEvent_map"·alt=""/>88 ··<img·src="../../d4/d47/a07978.png"·usemap="#BALL::VIEW::MessageEvent_map"·alt=""/>
89 ··<map·id="BALL::VIEW::MessageEvent_map"·name="BALL::VIEW::MessageEvent_map">89 ··<map·id="BALL::VIEW::MessageEvent_map"·name="BALL::VIEW::MessageEvent_map">
90 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,169,24"/>90 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,169,24"/>
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105 Protected·Attributes</h2></td></tr>105 Protected·Attributes</h2></td></tr>
106 <tr·class="memitem:a03e0f90c4ab69058709099c5b2b74ef2"·id="r_a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a07978.html#a03e0f90c4ab69058709099c5b2b74ef2">message_</a></td></tr>106 <tr·class="memitem:a03e0f90c4ab69058709099c5b2b74ef2"·id="r_a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a07978.html#a03e0f90c4ab69058709099c5b2b74ef2">message_</a></td></tr>
107 <tr·class="separator:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a03e0f90c4ab69058709099c5b2b74ef2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock"><p>A·QT·Event,·that·can·contain·a·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·message.·Use·this·class·to·post·events·and·thus·messages·over·thread·boundaries.·Create·the·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·on·the·heap,·it·will·be·automatically·deleted·after·sending!·</p>110 <div·class="textblock"><p>A·QT·Event,·that·can·contain·a·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·message.·Use·this·class·to·post·events·and·thus·messages·over·thread·boundaries.·Create·the·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·on·the·heap,·it·will·be·automatically·deleted·after·sending!·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a012e5222ff6bb64b9cbe9041a5e8bb1a"·name="a012e5222ff6bb64b9cbe9041a5e8bb1a"></a>113 <a·id="a012e5222ff6bb64b9cbe9041a5e8bb1a"·name="a012e5222ff6bb64b9cbe9041a5e8bb1a"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a012e5222ff6bb64b9cbe9041a5e8bb1a">&#9670;&#160;</a></span>MessageEvent()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a012e5222ff6bb64b9cbe9041a5e8bb1a">&#9670;&#160;</a></span>MessageEvent()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 <table·class="mlabels">117 <table·class="mlabels">
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131 ··</td>131 ··</td>
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83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
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85 <p><a·href="../../d4/d51/a00017_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d4/d51/a00017_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d0a/a01526_source.html">BALL/MOLMEC/MDSIMULATION/molecularDynamics.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/MODELS/atomBondModelBaseProcessor.iC&gt;</code><br·/>
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83 <p><a·href="../../d4/d51/a01520_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/d51/a01520_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Default·Struct·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
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80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/deb/a01508_source.html">BALL/MOLMEC/MINIMIZATION/steepestDescent.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d57/a00194_source.html">BALL/MOLMEC/MINIMIZATION/steepestDescent.h</a>&gt;</code></p>
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289 <tr·class="separator:a96b309d96054f91c2ee6b631ae9dacb7·inherit·pub_attribs_a05178"><td·class="memSeparator"·colspan="2">&#160;</td></tr>289 <tr·class="separator:a96b309d96054f91c2ee6b631ae9dacb7·inherit·pub_attribs_a05178"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
290 </table>290 </table>
291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>291 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
292 <div·class="textblock"><p>A·minimizer·for·geometry·optimization·based·on·steepest·descent·steps.·</p>292 <div·class="textblock"><p>A·minimizer·for·geometry·optimization·based·on·steepest·descent·steps.·</p>
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/deb/a01508_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d0/deb/a01508_source.html">steepestDescent.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d57/a00194_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../dc/d57/a00194_source.html">steepestDescent.h</a>.</p>
294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>294 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
295 <a·id="abf5236750f6366a666507d14d95685e4"·name="abf5236750f6366a666507d14d95685e4"></a>295 <a·id="abf5236750f6366a666507d14d95685e4"·name="abf5236750f6366a666507d14d95685e4"></a>
296 <h2·class="memtitle"><span·class="permalink"><a·href="#abf5236750f6366a666507d14d95685e4">&#9670;&#160;</a></span>SteepestDescentMinimizer()·<span·class="overload">[1/6]</span></h2>296 <h2·class="memtitle"><span·class="permalink"><a·href="#abf5236750f6366a666507d14d95685e4">&#9670;&#160;</a></span>SteepestDescentMinimizer()·<span·class="overload">[1/6]</span></h2>
  
297 <div·class="memitem">297 <div·class="memitem">
298 <div·class="memproto">298 <div·class="memproto">
299 ······<table·class="memname">299 ······<table·class="memname">
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637 ··<td·class="mlabels-right">637 ··<td·class="mlabels-right">
638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>638 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
639 ··</tr>639 ··</tr>
640 </table>640 </table>
641 </div><div·class="memdoc">641 </div><div·class="memdoc">
642 <p>The·line·search·minimizer.·This·member·is·used·to·perform·the·line·search·in·findStep·</p>642 <p>The·line·search·minimizer.·This·member·is·used·to·perform·the·line·search·in·findStep·</p>
  
643 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/deb/a01508_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d0/deb/a01508_source.html">steepestDescent.h</a>.</p>643 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d57/a00194_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../dc/d57/a00194_source.html">steepestDescent.h</a>.</p>
  
644 </div>644 </div>
645 </div>645 </div>
646 </div><!--·contents·-->646 </div><!--·contents·-->
647 <!--·start·footer·part·-->647 <!--·start·footer·part·-->
648 <hr·class="footer"/><address·class="footer"><small>648 <hr·class="footer"/><address·class="footer"><small>
649 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8649 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d8/d59/a03539.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d59/a03539.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::Node·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::Node·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:af7c45b44ad5ad3d98fe6f95602ed6cea"·id="r_af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#af7c45b44ad5ad3d98fe6f95602ed6cea">Node</a>·(const·<a·class="el"·href="../../d4/d8b/a03538.html#acf2a374a7798cd580b84e793587fe009">KeyType</a>·&amp;my_key,·const·<a·class="el"·href="../../d4/d5e/a03542.html">Node</a>·*my_next)</td></tr>87 <tr·class="memitem:af7c45b44ad5ad3d98fe6f95602ed6cea"·id="r_af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#af7c45b44ad5ad3d98fe6f95602ed6cea">Node</a>·(const·<a·class="el"·href="../../d4/d8b/a03538.html#acf2a374a7798cd580b84e793587fe009">KeyType</a>·&amp;my_key,·const·<a·class="el"·href="../../d4/d5e/a03542.html">Node</a>·*my_next)</td></tr>
88 <tr·class="separator:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:af7c45b44ad5ad3d98fe6f95602ed6cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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94 <tr·class="separator:a74fd128147b9beb4f4742414e83b8ddb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a74fd128147b9beb4f4742414e83b8ddb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a78e666689db1ea5855f2af9a605c6e4d"·id="r_a78e666689db1ea5855f2af9a605c6e4d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d8b/a03538.html#a9cbbc090b792918fd7dd09480be83ea8">ValueType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#a78e666689db1ea5855f2af9a605c6e4d">value</a></td></tr>95 <tr·class="memitem:a78e666689db1ea5855f2af9a605c6e4d"·id="r_a78e666689db1ea5855f2af9a605c6e4d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d8b/a03538.html#a9cbbc090b792918fd7dd09480be83ea8">ValueType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html#a78e666689db1ea5855f2af9a605c6e4d">value</a></td></tr>
96 <tr·class="separator:a78e666689db1ea5855f2af9a605c6e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a78e666689db1ea5855f2af9a605c6e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>99 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>
100 struct·BALL::HashSet&lt;·Key·&gt;::Node</div>100 struct·BALL::HashSet&lt;·Key·&gt;::Node</div>
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="af7c45b44ad5ad3d98fe6f95602ed6cea"·name="af7c45b44ad5ad3d98fe6f95602ed6cea"></a>103 <a·id="af7c45b44ad5ad3d98fe6f95602ed6cea"·name="af7c45b44ad5ad3d98fe6f95602ed6cea"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c45b44ad5ad3d98fe6f95602ed6cea">&#9670;&#160;</a></span>Node()</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c45b44ad5ad3d98fe6f95602ed6cea">&#9670;&#160;</a></span>Node()</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 <div·class="memtemplate">107 <div·class="memtemplate">
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132 ··</td>132 ··</td>
133 ··<td·class="mlabels-right">133 ··<td·class="mlabels-right">
134 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>134 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
135 ··</tr>135 ··</tr>
136 </table>136 </table>
137 </div><div·class="memdoc">137 </div><div·class="memdoc">
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 <h2·class="groupheader">Member·Data·Documentation</h2>141 <h2·class="groupheader">Member·Data·Documentation</h2>
142 <a·id="a74fd128147b9beb4f4742414e83b8ddb"·name="a74fd128147b9beb4f4742414e83b8ddb"></a>142 <a·id="a74fd128147b9beb4f4742414e83b8ddb"·name="a74fd128147b9beb4f4742414e83b8ddb"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a74fd128147b9beb4f4742414e83b8ddb">&#9670;&#160;</a></span>next</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a74fd128147b9beb4f4742414e83b8ddb">&#9670;&#160;</a></span>next</h2>
  
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151 ······<table·class="memname">151 ······<table·class="memname">
152 ········<tr>152 ········<tr>
153 ··········<td·class="memname"><a·class="el"·href="../../d4/d5e/a03542.html">Node</a>*·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::next</td>153 ··········<td·class="memname"><a·class="el"·href="../../d4/d5e/a03542.html">Node</a>*·<a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet</a>&lt;·Key·&gt;::Node::next</td>
154 ········</tr>154 ········</tr>
155 ······</table>155 ······</table>
156 </div><div·class="memdoc">156 </div><div·class="memdoc">
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
158 </div>158 </div>
159 </div>159 </div>
160 <a·id="a78e666689db1ea5855f2af9a605c6e4d"·name="a78e666689db1ea5855f2af9a605c6e4d"></a>160 <a·id="a78e666689db1ea5855f2af9a605c6e4d"·name="a78e666689db1ea5855f2af9a605c6e4d"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#a78e666689db1ea5855f2af9a605c6e4d">&#9670;&#160;</a></span>value</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#a78e666689db1ea5855f2af9a605c6e4d">&#9670;&#160;</a></span>value</h2>
  
162 <div·class="memitem">162 <div·class="memitem">
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169 ······<table·class="memname">169 ······<table·class="memname">
170 ········<tr>170 ········<tr>
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172 ········</tr>172 ········</tr>
173 ······</table>173 ······</table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 </div><!--·contents·-->178 </div><!--·contents·-->
179 <!--·start·footer·part·-->179 <!--·start·footer·part·-->
180 <hr·class="footer"/><address·class="footer"><small>180 <hr·class="footer"/><address·class="footer"><small>
181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d6/dc7/a03683.html">List·of·all·members</a>··</div>79 <a·href="../../d6/dc7/a03683.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::RigidTransformation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::RigidTransformation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
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101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a7bffbd0f6fd5ece63b3d46fb48dc9b04"·name="a7bffbd0f6fd5ece63b3d46fb48dc9b04"></a>104 <a·id="a7bffbd0f6fd5ece63b3d46fb48dc9b04"·name="a7bffbd0f6fd5ece63b3d46fb48dc9b04"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bffbd0f6fd5ece63b3d46fb48dc9b04">&#9670;&#160;</a></span>RigidTransformation()·<span·class="overload">[1/2]</span></h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bffbd0f6fd5ece63b3d46fb48dc9b04">&#9670;&#160;</a></span>RigidTransformation()·<span·class="overload">[1/2]</span></h2>
  
106 <div·class="memitem">106 <div·class="memitem">
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108 <table·class="mlabels">108 <table·class="mlabels">
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120 ··</td>120 ··</td>
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122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
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125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <a·id="a703b46c68b1e3da24968c2867fc46fc6"·name="a703b46c68b1e3da24968c2867fc46fc6"></a>129 <a·id="a703b46c68b1e3da24968c2867fc46fc6"·name="a703b46c68b1e3da24968c2867fc46fc6"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a703b46c68b1e3da24968c2867fc46fc6">&#9670;&#160;</a></span>RigidTransformation()·<span·class="overload">[2/2]</span></h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a703b46c68b1e3da24968c2867fc46fc6">&#9670;&#160;</a></span>RigidTransformation()·<span·class="overload">[2/2]</span></h2>
  
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158 ··</td>158 ··</td>
159 ··<td·class="mlabels-right">159 ··<td·class="mlabels-right">
160 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>160 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
161 ··</tr>161 ··</tr>
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163 </div><div·class="memdoc">163 </div><div·class="memdoc">
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <h2·class="groupheader">Member·Data·Documentation</h2>167 <h2·class="groupheader">Member·Data·Documentation</h2>
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181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
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185 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ead770c8b281ca27de51bc5f3d4f4a1">&#9670;&#160;</a></span>translation</h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ead770c8b281ca27de51bc5f3d4f4a1">&#9670;&#160;</a></span>translation</h2>
  
186 <div·class="memitem">186 <div·class="memitem">
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192 ········<tr>192 ········<tr>
193 ··········<td·class="memname">Eigen::Vector3f·BALL::PoseClustering::RigidTransformation::translation</td>193 ··········<td·class="memname">Eigen::Vector3f·BALL::PoseClustering::RigidTransformation::translation</td>
194 ········</tr>194 ········</tr>
195 ······</table>195 ······</table>
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197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00203">203</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00203">203</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
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201 <!--·start·footer·part·-->201 <!--·start·footer·part·-->
202 <hr·class="footer"/><address·class="footer"><small>202 <hr·class="footer"/><address·class="footer"><small>
203 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8203 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::QuaternionParameter·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::QuaternionParameter·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::QuaternionParameter:</div>85 Inheritance·diagram·for·BALL::QuaternionParameter:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/d5f/a03778.png"·usemap="#BALL::QuaternionParameter_map"·alt=""/>88 ··<img·src="../../d4/d5f/a03778.png"·usemap="#BALL::QuaternionParameter_map"·alt=""/>
89 ··<map·id="BALL::QuaternionParameter_map"·name="BALL::QuaternionParameter_map">89 ··<map·id="BALL::QuaternionParameter_map"·name="BALL::QuaternionParameter_map">
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123 Additional·Inherited·Members</h2></td></tr>123 Additional·Inherited·Members</h2></td></tr>
124 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>124 <tr·class="inherit_header·pro_attribs_a03770"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a03770')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>
125 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>125 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
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127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock">129 <div·class="textblock">
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a6f9cf132fd719dea8d5e85279eb1a49c"·name="a6f9cf132fd719dea8d5e85279eb1a49c"></a>132 <a·id="a6f9cf132fd719dea8d5e85279eb1a49c"·name="a6f9cf132fd719dea8d5e85279eb1a49c"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f9cf132fd719dea8d5e85279eb1a49c">&#9670;&#160;</a></span>QuaternionParameter()·<span·class="overload">[1/2]</span></h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f9cf132fd719dea8d5e85279eb1a49c">&#9670;&#160;</a></span>QuaternionParameter()·<span·class="overload">[1/2]</span></h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
136 ······<table·class="memname">136 ······<table·class="memname">
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222 ········<tr>222 ········<tr>
223 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">Quaternion</a>·BALL::QuaternionParameter::quat</td>223 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#adf956f63c74e2bb0a4786e2bae88d6a2">Quaternion</a>·BALL::QuaternionParameter::quat</td>
224 ········</tr>224 ········</tr>
225 ······</table>225 ······</table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
227 <p>parameter·value·</p>227 <p>parameter·value·</p>
  
228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
229 </div>229 </div>
230 </div>230 </div>
231 </div><!--·contents·-->231 </div><!--·contents·-->
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·main.C·File·Reference</title>8 <title>BALL:·icons.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#func-members">Functions</a>··</div>77 <a·href="#var-members">Variables</a>··</div>
78 ··<div·class="headertitle"><div·class="title">main.C·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">icons.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <div·class="textblock"><code>#include·&lt;QtWidgets/QApplication&gt;</code><br·/> 
82 <code>#include·&lt;QtWidgets/QMessageBox&gt;</code><br·/> 
83 <code>#include·&lt;QtCore/QTranslator&gt;</code><br·/> 
84 <code>#include·&quot;<a·class="el"·href="../../da/d4a/a02114_source.html">mainframe.h</a>&quot;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d5/d31/a01931_source.html">BALL/SYSTEM/directory.h</a>&gt;</code><br·/> 
87 </div> 
88 <p><a·href="../../d4/d64/a02111_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d4/d64/a02111_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">82 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
91 Functions</h2></td></tr> 
92 <tr·class="memitem:a27b87a572634f9fb4443b78d2c2ac3c9"·id="r_a27b87a572634f9fb4443b78d2c2ac3c9"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d64/a02111.html#a27b87a57[·...·truncated·by·diffoscope;·len:·125,·SHA:·3fbe777b599c9afcf1feec4e70f43c03352acca3e0511327ef8daa36b2f0c6d8·...·]</td></tr>84 Variables</h2></td></tr>
 85 <tr·class="memitem:abb264087174fbf8cd5e8af88cd48fd41"·id="r_abb264087174fbf8cd5e8af88cd48fd41"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d64/a02111.html#abb264087174fbf8cd5e8af88cd48fd41">bucky_64x64_xpm</a>·[]</td></tr>
93 <tr·class="separator:a27b87a572634f9fb4443b78d2c2ac3c9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>86 <tr·class="separator:abb264087174fbf8cd5e8af88cd48fd41"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:a3c04138a5bfe5d72780bb7e82a18e627"·id="r_a3c04138a5bfe5d72780bb7e82a18e627"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>·(int·argc,·char·**argv)</td></tr> 
95 <tr·class="separator:a3c04138a5bfe5d72780bb7e82a18e627"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>87 </table>
97 <h2·class="groupheader">Function·Documentation</h2>88 <h2·class="groupheader">Variable·Documentation</h2>
 89 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>
 90 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&#160;</a></span>bucky_64x64_xpm</h2>
98 <a·id="a27b87a572634f9fb4443b78d2c2ac3c9"·name="a27b87a572634f9fb4443b78d2c2ac3c9"></a> 
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a27b87a572634f9fb4443b78d2c2ac3c9">&#9670;&#160;</a></span>logMessages()</h2> 
  
100 <div·class="memitem"> 
101 <div·class="memproto"> 
102 ······<table·class="memname"> 
103 ········<tr> 
104 ··········<td·class="memname">void·logMessages·</td> 
105 ··········<td>(</td> 
106 ··········<td·class="paramtype">QtMsgType&#160;</td> 
107 ··········<td·class="paramname"><em>type</em>,·</td> 
108 ········</tr> 
109 ········<tr> 
110 ··········<td·class="paramkey"></td> 
111 ··········<td></td> 
112 ··········<td·class="paramtype">const·QMessageLogContext·&amp;&#160;</td> 
113 ··········<td·class="paramname"><em>context</em>,·</td> 
114 ········</tr> 
115 ········<tr> 
116 ··········<td·class="paramkey"></td> 
117 ··········<td></td> 
118 ··········<td·class="paramtype">const·QString·&amp;&#160;</td> 
119 ··········<td·class="paramname"><em>message</em>&#160;</td> 
120 ········</tr> 
121 ········<tr> 
122 ··········<td></td> 
123 ··········<td>)</td> 
124 ··········<td></td><td></td> 
125 ········</tr> 
126 ······</table> 
127 </div><div·class="memdoc"> 
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d64/a02111_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d4/d64/a02111_source.html">main.C</a>.</p> 
  
129 </div> 
130 </div> 
131 <a·id="a3c04138a5bfe5d72780bb7e82a18e627"·name="a3c04138a5bfe5d72780bb7e82a18e627"></a> 
132 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c04138a5bfe5d72780bb7e82a18e627">&#9670;&#160;</a></span>main()</h2> 
  
133 <div·class="memitem">91 <div·class="memitem">
134 <div·class="memproto">92 <div·class="memproto">
 93 <table·class="mlabels">
 94 ··<tr>
 95 ··<td·class="mlabels-left">
135 ······<table·class="memname">96 ······<table·class="memname">
136 ········<tr>97 ········<tr>
 98 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>
137 ··········<td·class="memname">int·main·</td> 
138 ··········<td>(</td> 
139 ··········<td·class="paramtype">int&#160;</td> 
140 ··········<td·class="paramname"><em>argc</em>,·</td> 
141 ········</tr> 
142 ········<tr> 
143 ··········<td·class="paramkey"></td> 
144 ··········<td></td> 
145 ··········<td·class="paramtype">char·**&#160;</td> 
146 ··········<td·class="paramname"><em>argv</em>&#160;</td> 
147 ········</tr> 
148 ········<tr> 
149 ··········<td></td> 
150 ··········<td>)</td> 
151 ··········<td></td><td></td> 
152 ········</tr>99 ········</tr>
153 ······</table>100 ······</table>
 101 ··</td>
 102 ··<td·class="mlabels-right">
 103 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>
 104 ··</tr>
 105 </table>
154 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d64/a02111_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d4/d64/a02111_source.html">main.C</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d77/a02096_source.html#l00009">9</a>·of·file·<a·class="el"·href="../../dd/d77/a02096_source.html">icons.C</a>.</p>
  
156 </div>108 </div>
157 </div>109 </div>
158 </div><!--·contents·-->110 </div><!--·contents·-->
159 <!--·start·footer·part·-->111 <!--·start·footer·part·-->
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8 <title>BALL:·numericalIntegrator.h·File·Reference</title>8 <title>BALL:·stringHashMap.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">numericalIntegrator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">stringHashMap.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d04/a00713_source.html">BALL/MATHS/function.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;algorithm&gt;</code><br·/>
82 </div>87 </div>
83 <p><a·href="../../d4/d6a/a00704_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d4/d6a/a00704_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">89 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>91 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db9/a04870.html">BALL::NumericalIntegrator&lt;·Function,·DataType·&gt;</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d7e/a03618.html">BALL::StringHashMap&lt;·Value·&gt;</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d1/d36/a06779.html">List·of·all·members</a>··</div>80 <a·href="../../d1/d36/a06779.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::EdgeComparator_·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::EdgeComparator_·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
87 Public·Types</h2></td></tr>87 Public·Types</h2></td></tr>
88 <tr·class="memitem:aafc1d86d149c9d73a9241a5b4b90d6ee"·id="r_aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;·<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·&gt;::EdgeType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">Edge</a></td></tr>88 <tr·class="memitem:aafc1d86d149c9d73a9241a5b4b90d6ee"·id="r_aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;·<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·&gt;::EdgeType&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">Edge</a></td></tr>
89 <tr·class="separator:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aafc1d86d149c9d73a9241a5b4b90d6ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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100 Protected·Attributes</h2></td></tr>100 Protected·Attributes</h2></td></tr>
101 <tr·class="memitem:aac7b463915e611982cf61a5fa5ee751b"·id="r_aac7b463915e611982cf61a5fa5ee751b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aac7b463915e611982cf61a5fa5ee751b">graph_</a></td></tr>101 <tr·class="memitem:aac7b463915e611982cf61a5fa5ee751b"·id="r_aac7b463915e611982cf61a5fa5ee751b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6c/a06782.html#aac7b463915e611982cf61a5fa5ee751b">graph_</a></td></tr>
102 <tr·class="separator:aac7b463915e611982cf61a5fa5ee751b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:aac7b463915e611982cf61a5fa5ee751b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>A·comparator·for·edges·in·the·molecular·graph.·</p>105 <div·class="textblock"><p>A·comparator·for·edges·in·the·molecular·graph.·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00835">835</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00835">835</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
107 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>107 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
108 <a·id="aafc1d86d149c9d73a9241a5b4b90d6ee"·name="aafc1d86d149c9d73a9241a5b4b90d6ee"></a>108 <a·id="aafc1d86d149c9d73a9241a5b4b90d6ee"·name="aafc1d86d149c9d73a9241a5b4b90d6ee"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aafc1d86d149c9d73a9241a5b4b90d6ee">&#9670;&#160;</a></span>Edge</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aafc1d86d149c9d73a9241a5b4b90d6ee">&#9670;&#160;</a></span>Edge</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
113 ········<tr>113 ········<tr>
114 ··········<td·class="memname">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;::EdgeType·<a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">BALL::FPTBondOrderStrategy::EdgeComparator_::Edge</a></td>114 ··········<td·class="memname">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;::EdgeType·<a·class="el"·href="../../d4/d6c/a06782.html#aafc1d86d149c9d73a9241a5b4b90d6ee">BALL::FPTBondOrderStrategy::EdgeComparator_::Edge</a></td>
115 ········</tr>115 ········</tr>
116 ······</table>116 ······</table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00838">838</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00838">838</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>121 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
122 <a·id="a50ac40843ef7a4c6d3ebc18cf929d515"·name="a50ac40843ef7a4c6d3ebc18cf929d515"></a>122 <a·id="a50ac40843ef7a4c6d3ebc18cf929d515"·name="a50ac40843ef7a4c6d3ebc18cf929d515"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a50ac40843ef7a4c6d3ebc18cf929d515">&#9670;&#160;</a></span>EdgeComparator_()</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a50ac40843ef7a4c6d3ebc18cf929d515">&#9670;&#160;</a></span>EdgeComparator_()</h2>
  
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143 ··</td>143 ··</td>
144 ··<td·class="mlabels-right">144 ··<td·class="mlabels-right">
145 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>145 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
146 ··</tr>146 ··</tr>
147 </table>147 </table>
148 </div><div·class="memdoc">148 </div><div·class="memdoc">
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
150 </div>150 </div>
151 </div>151 </div>
152 <h2·class="groupheader">Member·Function·Documentation</h2>152 <h2·class="groupheader">Member·Function·Documentation</h2>
153 <a·id="ad3aad703e5aee2d9d985bcb052cac4de"·name="ad3aad703e5aee2d9d985bcb052cac4de"></a>153 <a·id="ad3aad703e5aee2d9d985bcb052cac4de"·name="ad3aad703e5aee2d9d985bcb052cac4de"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3aad703e5aee2d9d985bcb052cac4de">&#9670;&#160;</a></span>operator()()</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3aad703e5aee2d9d985bcb052cac4de">&#9670;&#160;</a></span>operator()()</h2>
  
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197 ··</td>197 ··</td>
198 ··<td·class="mlabels-right">198 ··<td·class="mlabels-right">
199 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>199 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
200 ··</tr>200 ··</tr>
201 </table>201 </table>
202 </div><div·class="memdoc">202 </div><div·class="memdoc">
  
203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00847">847</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00847">847</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
204 </div>204 </div>
205 </div>205 </div>
206 </div><!--·contents·-->206 </div><!--·contents·-->
207 <!--·start·footer·part·-->207 <!--·start·footer·part·-->
208 <hr·class="footer"/><address·class="footer"><small>208 <hr·class="footer"/><address·class="footer"><small>
209 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8209 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d9/d58/a03371.html">List·of·all·members</a>··</div>77 <a·href="../../d9/d58/a03371.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PreciseTime·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PreciseTime·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/dbc/a01391_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors.</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors.</div></td></tr>
86 <tr·class="memitem:a6a1fb3059f8f3aa69d4b57a996f74580"·id="r_a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a6a1fb3059f8f3aa69d4b57a996f74580">PreciseTime</a>·()</td></tr>86 <tr·class="memitem:a6a1fb3059f8f3aa69d4b57a996f74580"·id="r_a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a6a1fb3059f8f3aa69d4b57a996f74580">PreciseTime</a>·()</td></tr>
87 <tr·class="separator:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a6a1fb3059f8f3aa69d4b57a996f74580"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aa2c78c185ba92c815d4fc0a9f8f1f8e2"·id="r_aa2c78c185ba92c815d4fc0a9f8f1f8e2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#aa2c78c185ba92c815d4fc0a9f8f1f8e2">PreciseTime</a>·(const·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>·&amp;time)</td></tr>88 <tr·class="memitem:aa2c78c185ba92c815d4fc0a9f8f1f8e2"·id="r_aa2c78c185ba92c815d4fc0a9f8f1f8e2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#aa2c78c185ba92c815d4fc0a9f8f1f8e2">PreciseTime</a>·(const·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>·&amp;time)</td></tr>
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133 <tr·class="memitem:a8d8559ff28a6aa43935a9f13b72efb7e"·id="r_a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a8d8559ff28a6aa43935a9f13b72efb7e">now</a>·()</td></tr>133 <tr·class="memitem:a8d8559ff28a6aa43935a9f13b72efb7e"·id="r_a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html#a8d8559ff28a6aa43935a9f13b72efb7e">now</a>·()</td></tr>
134 <tr·class="separator:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a8d8559ff28a6aa43935a9f13b72efb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p>Time·class.·Used·to·store·a·point·of·time.·This·class·provides·a·higher·precision·than·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time·</a>·(below·seconds).·</p><dl·class="section·user"><dt></dt><dd><b>Interface:</b>·<code>Storable</code>·</dd></dl>137 <div·class="textblock"><p>Time·class.·Used·to·store·a·point·of·time.·This·class·provides·a·higher·precision·than·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time·</a>·(below·seconds).·</p><dl·class="section·user"><dt></dt><dd><b>Interface:</b>·<code>Storable</code>·</dd></dl>
138 <dl·class="section·user"><dt></dt><dd></dd></dl>138 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>140 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
141 <a·id="a6a1fb3059f8f3aa69d4b57a996f74580"·name="a6a1fb3059f8f3aa69d4b57a996f74580"></a>141 <a·id="a6a1fb3059f8f3aa69d4b57a996f74580"·name="a6a1fb3059f8f3aa69d4b57a996f74580"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a1fb3059f8f3aa69d4b57a996f74580">&#9670;&#160;</a></span>PreciseTime()·<span·class="overload">[1/3]</span></h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a1fb3059f8f3aa69d4b57a996f74580">&#9670;&#160;</a></span>PreciseTime()·<span·class="overload">[1/3]</span></h2>
  
143 <div·class="memitem">143 <div·class="memitem">
144 <div·class="memproto">144 <div·class="memproto">
145 ······<table·class="memname">145 ······<table·class="memname">
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509 ··</td>509 ··</td>
510 ··<td·class="mlabels-right">510 ··<td·class="mlabels-right">
511 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>511 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
512 ··</tr>512 ··</tr>
513 </table>513 </table>
514 </div><div·class="memdoc">514 </div><div·class="memdoc">
  
515 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>515 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
516 </div>516 </div>
517 </div>517 </div>
518 <a·id="a41e5e3fa00a482519da51fbef6813800"·name="a41e5e3fa00a482519da51fbef6813800"></a>518 <a·id="a41e5e3fa00a482519da51fbef6813800"·name="a41e5e3fa00a482519da51fbef6813800"></a>
519 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e5e3fa00a482519da51fbef6813800">&#9670;&#160;</a></span>usecs_</h2>519 <h2·class="memtitle"><span·class="permalink"><a·href="#a41e5e3fa00a482519da51fbef6813800">&#9670;&#160;</a></span>usecs_</h2>
  
520 <div·class="memitem">520 <div·class="memitem">
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533 ··</td>533 ··</td>
534 ··<td·class="mlabels-right">534 ··<td·class="mlabels-right">
535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>535 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
536 ··</tr>536 ··</tr>
537 </table>537 </table>
538 </div><div·class="memdoc">538 </div><div·class="memdoc">
  
539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>539 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
540 </div>540 </div>
541 </div>541 </div>
542 <a·id="a74def51349d67813b8580a0499c49100"·name="a74def51349d67813b8580a0499c49100"></a>542 <a·id="a74def51349d67813b8580a0499c49100"·name="a74def51349d67813b8580a0499c49100"></a>
543 <h2·class="memtitle"><span·class="permalink"><a·href="#a74def51349d67813b8580a0499c49100">&#9670;&#160;</a></span>ZERO</h2>543 <h2·class="memtitle"><span·class="permalink"><a·href="#a74def51349d67813b8580a0499c49100">&#9670;&#160;</a></span>ZERO</h2>
  
544 <div·class="memitem">544 <div·class="memitem">
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558 ··<td·class="mlabels-right">558 ··<td·class="mlabels-right">
559 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>559 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
560 ··</tr>560 ··</tr>
561 </table>561 </table>
562 </div><div·class="memdoc">562 </div><div·class="memdoc">
563 <p>Zero·object.·</p>563 <p>Zero·object.·</p>
  
564 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>564 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
565 </div>565 </div>
566 </div>566 </div>
567 </div><!--·contents·-->567 </div><!--·contents·-->
568 <!--·start·footer·part·-->568 <!--·start·footer·part·-->
569 <hr·class="footer"/><address·class="footer"><small>569 <hr·class="footer"/><address·class="footer"><small>
570 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8570 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../df/dcb/a06879.html">List·of·all·members</a>··</div>77 <a·href="../../df/dcb/a06879.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::BoundingBoxProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::BoundingBoxProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::BoundingBoxProcessor:</div>83 Inheritance·diagram·for·BALL::BoundingBoxProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/d71/a06882.png"·usemap="#BALL::BoundingBoxProcessor_map"·alt=""/>86 ··<img·src="../../d4/d71/a06882.png"·usemap="#BALL::BoundingBoxProcessor_map"·alt=""/>
87 ··<map·id="BALL::BoundingBoxProcessor_map"·name="BALL::BoundingBoxProcessor_map">87 ··<map·id="BALL::BoundingBoxProcessor_map"·name="BALL::BoundingBoxProcessor_map">
88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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132 </table>132 </table>
133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
134 <div·class="textblock"><p>Bounding·box·creating·processor.·This·class·iterates·over·all·atoms·of·a·given·molecular·object·and·determines·the·lowest·and·the·highest·coordinates·occuring.·It·returns·two·coordinates·(·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·,·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·)·describing·the·smallest·cuboid·(whose·sides·are·parallel·to·the·planes·defined·by·the·corrdinate·axes)·enclosing·all·atoms·of·the·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>This·processor·is·useful·to·determine·the·extent·of·a·molecular·object·if·you·want·to·define·a·<a·class="el"·href="../../">THashGrid·</a>·or·alike·objects.·</dd></dl>134 <div·class="textblock"><p>Bounding·box·creating·processor.·This·class·iterates·over·all·atoms·of·a·given·molecular·object·and·determines·the·lowest·and·the·highest·coordinates·occuring.·It·returns·two·coordinates·(·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·,·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·)·describing·the·smallest·cuboid·(whose·sides·are·parallel·to·the·planes·defined·by·the·corrdinate·axes)·enclosing·all·atoms·of·the·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>This·processor·is·useful·to·determine·the·extent·of·a·molecular·object·if·you·want·to·define·a·<a·class="el"·href="../../">THashGrid·</a>·or·alike·objects.·</dd></dl>
135 <dl·class="section·user"><dt></dt><dd>The·coordinates·returned·by·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·and·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·are·only·valid,·if·the·processor·has·been·applied·to·a·molecular·object·containing·atoms.·</dd></dl>135 <dl·class="section·user"><dt></dt><dd>The·coordinates·returned·by·<a·class="el"·href="../../d4/d71/a06882.html#ac279c890afb556d2f094253022392b12">getLower·</a>·and·<a·class="el"·href="../../d4/d71/a06882.html#ad75b4bb8f06a5c173ab6b3d66fc2bb3d">getUpper·</a>·are·only·valid,·if·the·processor·has·been·applied·to·a·molecular·object·containing·atoms.·</dd></dl>
136 <dl·class="section·user"><dt></dt><dd></dd></dl>136 <dl·class="section·user"><dt></dt><dd></dd></dl>
137 <dl·class="section·user"><dt></dt><dd></dd></dl>137 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
139 </div><h2·class="groupheader">Member·Function·Documentation</h2>139 </div><h2·class="groupheader">Member·Function·Documentation</h2>
140 <a·id="ac4f8076ebb4c15c35e36f0c56a272262"·name="ac4f8076ebb4c15c35e36f0c56a272262"></a>140 <a·id="ac4f8076ebb4c15c35e36f0c56a272262"·name="ac4f8076ebb4c15c35e36f0c56a272262"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4f8076ebb4c15c35e36f0c56a272262">&#9670;&#160;</a></span>finish()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4f8076ebb4c15c35e36f0c56a272262">&#9670;&#160;</a></span>finish()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 <table·class="mlabels">144 <table·class="mlabels">
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245 ··</tr>245 ··</tr>
246 </table>246 </table>
247 </div><div·class="memdoc">247 </div><div·class="memdoc">
248 <p>Contributes·the·coordinates·of·provided·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·to·the·bounding·box.·The·function·internally·calls·the·more·generic·operator()·with·<a·class="el"·href="../../d1/dce/a02168.html">Three-dimensional·vector.</a>·argument·derived·from·atom·position.·</p>248 <p>Contributes·the·coordinates·of·provided·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·to·the·bounding·box.·The·function·internally·calls·the·more·generic·operator()·with·<a·class="el"·href="../../d1/dce/a02168.html">Three-dimensional·vector.</a>·argument·derived·from·atom·position.·</p>
  
249 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>249 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="a83e933e79cd1702d4ca9051298d865e5"·name="a83e933e79cd1702d4ca9051298d865e5"></a>253 <a·id="a83e933e79cd1702d4ca9051298d865e5"·name="a83e933e79cd1702d4ca9051298d865e5"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a83e933e79cd1702d4ca9051298d865e5">&#9670;&#160;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a83e933e79cd1702d4ca9051298d865e5">&#9670;&#160;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/db5/a04695.html">List·of·all·members</a>··</div>78 <a·href="../../de/db5/a04695.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::NucleicAcidPredicate:</div>84 Inheritance·diagram·for·BALL::NucleicAcidPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/d7b/a04698.png"·usemap="#BALL::NucleicAcidPredicate_map"·alt=""/>87 ··<img·src="../../d4/d7b/a04698.png"·usemap="#BALL::NucleicAcidPredicate_map"·alt=""/>
88 ··<map·id="BALL::NucleicAcidPredicate_map"·name="BALL::NucleicAcidPredicate_map">88 ··<map·id="BALL::NucleicAcidPredicate_map"·name="BALL::NucleicAcidPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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125 Additional·Inherited·Members</h2></td></tr>125 Additional·Inherited·Members</h2></td></tr>
126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock">131 <div·class="textblock">
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00291">291</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00291">291</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="acac0e0fb551d174bf1f9132b412ab318"·name="acac0e0fb551d174bf1f9132b412ab318"></a>134 <a·id="acac0e0fb551d174bf1f9132b412ab318"·name="acac0e0fb551d174bf1f9132b412ab318"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#acac0e0fb551d174bf1f9132b412ab318">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#acac0e0fb551d174bf1f9132b412ab318">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d33/a07471.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d33/a07471.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnitHue·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnitHue·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d6c/a01349_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors</div></td></tr>
86 <tr·class="memitem:a8bb77facd85e419fa1c705aefe137e87"·id="r_a8bb77facd85e419fa1c705aefe137e87"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a8bb77facd85e419fa1c705aefe137e87">ColorUnitHue</a>·()</td></tr>86 <tr·class="memitem:a8bb77facd85e419fa1c705aefe137e87"·id="r_a8bb77facd85e419fa1c705aefe137e87"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a8bb77facd85e419fa1c705aefe137e87">ColorUnitHue</a>·()</td></tr>
87 <tr·class="separator:a8bb77facd85e419fa1c705aefe137e87"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8bb77facd85e419fa1c705aefe137e87"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a489256eb78adb15173005b20af54514a"·id="r_a489256eb78adb15173005b20af54514a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a489256eb78adb15173005b20af54514a">ColorUnitHue</a>·(const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;colcor_h_unit)</td></tr>88 <tr·class="memitem:a489256eb78adb15173005b20af54514a"·id="r_a489256eb78adb15173005b20af54514a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#a489256eb78adb15173005b20af54514a">ColorUnitHue</a>·(const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;colcor_h_unit)</td></tr>
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231 <tr·class="separator:aacb7a790a5e71efe78ae28829b1f4e65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:aacb7a790a5e71efe78ae28829b1f4e65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:aaa825fed3b8f71958c1aefe0a1f202ff"·id="r_aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#aaa825fed3b8f71958c1aefe0a1f202ff">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;color_unit_hue)</td></tr>232 <tr·class="memitem:aaa825fed3b8f71958c1aefe0a1f202ff"·id="r_aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7b/a07474.html#aaa825fed3b8f71958c1aefe0a1f202ff">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·&amp;color_unit_hue)</td></tr>
233 <tr·class="separator:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:aaa825fed3b8f71958c1aefe0a1f202ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p>Value·for·the·hue·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·hue·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·<code>·0-360</code>,·the·float·values·are·of·range·0-1.0·and·the·strings·are·given·in·hex·format·<code>·"000"-"168"</code>·for·the·values·<code>·0-360</code>.·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·provides·certain·conversion·functions·as·well·that·will·convert·its·value·to·the·needed·type.·</p>236 <div·class="textblock"><p>Value·for·the·hue·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·hue·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·<code>·0-360</code>,·the·float·values·are·of·range·0-1.0·and·the·strings·are·given·in·hex·format·<code>·"000"-"168"</code>·for·the·values·<code>·0-360</code>.·<a·class="el"·href="../../d4/d7b/a07474.html">ColorUnitHue</a>·provides·certain·conversion·functions·as·well·that·will·convert·its·value·to·the·needed·type.·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dce/a00143_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/dce/a00143_source.html">colorUnitHue.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d6c/a01349_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/d6c/a01349_source.html">colorUnitHue.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="a8bb77facd85e419fa1c705aefe137e87"·name="a8bb77facd85e419fa1c705aefe137e87"></a>239 <a·id="a8bb77facd85e419fa1c705aefe137e87"·name="a8bb77facd85e419fa1c705aefe137e87"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bb77facd85e419fa1c705aefe137e87">&#9670;&#160;</a></span>ColorUnitHue()·<span·class="overload">[1/13]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bb77facd85e419fa1c705aefe137e87">&#9670;&#160;</a></span>ColorUnitHue()·<span·class="overload">[1/13]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../df/dcb/a03699.html">List·of·all·members</a>··</div>79 <a·href="../../df/dcb/a03699.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeNodeComparator·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::ClusterTreeNodeComparator·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ae3a81ce38b147b0017fd8f69c88febeb"·id="r_ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#ae3a81ce38b147b0017fd8f69c88febeb">ClusterTreeNodeComparator</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·&amp;cluster_tree)</td></tr>87 <tr·class="memitem:ae3a81ce38b147b0017fd8f69c88febeb"·id="r_ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#ae3a81ce38b147b0017fd8f69c88febeb">ClusterTreeNodeComparator</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·&amp;cluster_tree)</td></tr>
88 <tr·class="separator:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ae3a81ce38b147b0017fd8f69c88febeb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:af22e236bc05b9c2d674cb5e127cbd409"·id="r_af22e236bc05b9c2d674cb5e127cbd409"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#af22e236bc05b9c2d674cb5e127cbd409">operator()</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·first,·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·second)·const</td></tr>89 <tr·class="memitem:af22e236bc05b9c2d674cb5e127cbd409"·id="r_af22e236bc05b9c2d674cb5e127cbd409"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#af22e236bc05b9c2d674cb5e127cbd409">operator()</a>·(<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·first,·<a·class="el"·href="../../d0/d1e/a03674.html#ab8c5a0ea661807d606715c417e20c2c2">ClusterTreeNode</a>·const·second)·const</td></tr>
90 <tr·class="separator:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:af22e236bc05b9c2d674cb5e127cbd409"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 Protected·Attributes</h2></td></tr>94 Protected·Attributes</h2></td></tr>
95 <tr·class="memitem:a9079dd7afe88fd2f3e3bcd78bbd0979b"·id="r_a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#a9079dd7afe88fd2f3e3bcd78bbd0979b">cluster_tree_</a></td></tr>95 <tr·class="memitem:a9079dd7afe88fd2f3e3bcd78bbd0979b"·id="r_a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d1e/a03674.html#a9ac37589c086f7b03e78073fe2d6ea07">ClusterTree</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d7d/a03702.html#a9079dd7afe88fd2f3e3bcd78bbd0979b">cluster_tree_</a></td></tr>
96 <tr·class="separator:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a9079dd7afe88fd2f3e3bcd78bbd0979b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>A·nested·class·for·our·cluster·tree·node·priorization·</p>99 <div·class="textblock"><p>A·nested·class·for·our·cluster·tree·node·priorization·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00578">578</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00578">578</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="ae3a81ce38b147b0017fd8f69c88febeb"·name="ae3a81ce38b147b0017fd8f69c88febeb"></a>102 <a·id="ae3a81ce38b147b0017fd8f69c88febeb"·name="ae3a81ce38b147b0017fd8f69c88febeb"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3a81ce38b147b0017fd8f69c88febeb">&#9670;&#160;</a></span>ClusterTreeNodeComparator()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3a81ce38b147b0017fd8f69c88febeb">&#9670;&#160;</a></span>ClusterTreeNodeComparator()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00581">581</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00581">581</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Function·Documentation</h2>129 <h2·class="groupheader">Member·Function·Documentation</h2>
130 <a·id="af22e236bc05b9c2d674cb5e127cbd409"·name="af22e236bc05b9c2d674cb5e127cbd409"></a>130 <a·id="af22e236bc05b9c2d674cb5e127cbd409"·name="af22e236bc05b9c2d674cb5e127cbd409"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#af22e236bc05b9c2d674cb5e127cbd409">&#9670;&#160;</a></span>operator()()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#af22e236bc05b9c2d674cb5e127cbd409">&#9670;&#160;</a></span>operator()()</h2>
  
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159 ··</td>159 ··</td>
160 ··<td·class="mlabels-right">160 ··<td·class="mlabels-right">
161 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>161 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
162 ··</tr>162 ··</tr>
163 </table>163 </table>
164 </div><div·class="memdoc">164 </div><div·class="memdoc">
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00585">585</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00585">585</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
166 </div>166 </div>
167 </div>167 </div>
168 <h2·class="groupheader">Member·Data·Documentation</h2>168 <h2·class="groupheader">Member·Data·Documentation</h2>
169 <a·id="a9079dd7afe88fd2f3e3bcd78bbd0979b"·name="a9079dd7afe88fd2f3e3bcd78bbd0979b"></a>169 <a·id="a9079dd7afe88fd2f3e3bcd78bbd0979b"·name="a9079dd7afe88fd2f3e3bcd78bbd0979b"></a>
170 <h2·class="memtitle"><span·class="permalink"><a·href="#a9079dd7afe88fd2f3e3bcd78bbd0979b">&#9670;&#160;</a></span>cluster_tree_</h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#a9079dd7afe88fd2f3e3bcd78bbd0979b">&#9670;&#160;</a></span>cluster_tree_</h2>
  
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184 ··</td>184 ··</td>
185 ··<td·class="mlabels-right">185 ··<td·class="mlabels-right">
186 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>186 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
187 ··</tr>187 ··</tr>
188 </table>188 </table>
189 </div><div·class="memdoc">189 </div><div·class="memdoc">
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00594">594</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
191 </div>191 </div>
192 </div>192 </div>
193 </div><!--·contents·-->193 </div><!--·contents·-->
194 <!--·start·footer·part·-->194 <!--·start·footer·part·-->
195 <hr·class="footer"/><address·class="footer"><small>195 <hr·class="footer"/><address·class="footer"><small>
196 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8196 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../dd/dce/a05135.html">List·of·all·members</a>··</div>78 <a·href="../../dd/dce/a05135.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d6e/a02174.html">Molecular·Dynamics·Simulation</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::CanonicalMD:</div>84 Inheritance·diagram·for·BALL::CanonicalMD:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/d85/a05138.png"·usemap="#BALL::CanonicalMD_map"·alt=""/>87 ··<img·src="../../d4/d85/a05138.png"·usemap="#BALL::CanonicalMD_map"·alt=""/>
88 ··<map·id="BALL::CanonicalMD_map"·name="BALL::CanonicalMD_map">88 ··<map·id="BALL::CanonicalMD_map"·name="BALL::CanonicalMD_map">
89 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>89 <area·href="../../d9/dcb/a05154.html"·alt="BALL::MolecularDynamics"·shape="rect"·coords="0,0,161,24"/>
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261 <tr·class="memitem:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"·id="r_a4f0d45869d75457814945aae310a34b2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html#a4f0d45869d75457814945aae310a34b2">options</a></td></tr>261 <tr·class="memitem:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"·id="r_a4f0d45869d75457814945aae310a34b2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html#a4f0d45869d75457814945aae310a34b2">options</a></td></tr>
262 <tr·class="separator:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>262 <tr·class="separator:a4f0d45869d75457814945aae310a34b2·inherit·pub_attribs_a05154"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
263 </table>263 </table>
264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
265 <div·class="textblock"><p>A·MD·simulation·in·the·canoncial·ensemble.·A·class·for·doing·molecular·dynamics·simulations·<br··/>265 <div·class="textblock"><p>A·MD·simulation·in·the·canoncial·ensemble.·A·class·for·doing·molecular·dynamics·simulations·<br··/>
266 ·according·to·the·principle·of·a·canonical·ensemble·(NVT),·i.e.,·the·temperature·is·kept·constant.·This·is·achieved·via·the·velocity·rescaling·proposed·by·Berendsen·et·al.,·J.·Chem.·Physics,·81:3684,·1984.·Note·that·this·approach·does·not·give·all·properties·of·a·true·canonical·system.·In·particular,·the·heat·capacity·cannot·be·calculated!·</p><dl·class="section·user"><dt></dt><dd>The·temperature·is·set·through·the·<a·class="el"·href="../../">MDSimulation::setReferenceTemperature</a>·method.·</dd></dl>266 ·according·to·the·principle·of·a·canonical·ensemble·(NVT),·i.e.,·the·temperature·is·kept·constant.·This·is·achieved·via·the·velocity·rescaling·proposed·by·Berendsen·et·al.,·J.·Chem.·Physics,·81:3684,·1984.·Note·that·this·approach·does·not·give·all·properties·of·a·true·canonical·system.·In·particular,·the·heat·capacity·cannot·be·calculated!·</p><dl·class="section·user"><dt></dt><dd>The·temperature·is·set·through·the·<a·class="el"·href="../../">MDSimulation::setReferenceTemperature</a>·method.·</dd></dl>
  
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>268 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
269 <a·id="afb2263f5f63bd7a3f082d79ac31510a6"·name="afb2263f5f63bd7a3f082d79ac31510a6"></a>269 <a·id="afb2263f5f63bd7a3f082d79ac31510a6"·name="afb2263f5f63bd7a3f082d79ac31510a6"></a>
270 <h2·class="memtitle"><span·class="permalink"><a·href="#afb2263f5f63bd7a3f082d79ac31510a6">&#9670;&#160;</a></span>CanonicalMD()·<span·class="overload">[1/5]</span></h2>270 <h2·class="memtitle"><span·class="permalink"><a·href="#afb2263f5f63bd7a3f082d79ac31510a6">&#9670;&#160;</a></span>CanonicalMD()·<span·class="overload">[1/5]</span></h2>
  
271 <div·class="memitem">271 <div·class="memitem">
272 <div·class="memproto">272 <div·class="memproto">
273 ······<table·class="memname">273 ······<table·class="memname">
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733 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>733 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
734 ··</tr>734 ··</tr>
735 </table>735 </table>
736 </div><div·class="memdoc">736 </div><div·class="memdoc">
  
737 <p>The·coupling·parameter·to·the·heat·bath.·</p>737 <p>The·coupling·parameter·to·the·heat·bath.·</p>
  
738 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>738 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
739 </div>739 </div>
740 </div>740 </div>
741 <a·id="a390291c0c2f6c402683445cbf150cf86"·name="a390291c0c2f6c402683445cbf150cf86"></a>741 <a·id="a390291c0c2f6c402683445cbf150cf86"·name="a390291c0c2f6c402683445cbf150cf86"></a>
742 <h2·class="memtitle"><span·class="permalink"><a·href="#a390291c0c2f6c402683445cbf150cf86">&#9670;&#160;</a></span>mass_factor_</h2>742 <h2·class="memtitle"><span·class="permalink"><a·href="#a390291c0c2f6c402683445cbf150cf86">&#9670;&#160;</a></span>mass_factor_</h2>
  
743 <div·class="memitem">743 <div·class="memitem">
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759 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>759 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
760 ··</tr>760 ··</tr>
761 </table>761 </table>
762 </div><div·class="memdoc">762 </div><div·class="memdoc">
  
763 <p>This·vector·contains·special·precomputed·factors.·</p>763 <p>This·vector·contains·special·precomputed·factors.·</p>
  
764 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>764 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
765 </div>765 </div>
766 </div>766 </div>
767 </div><!--·contents·-->767 </div><!--·contents·-->
768 <!--·start·footer·part·-->768 <!--·start·footer·part·-->
769 <hr·class="footer"/><address·class="footer"><small>769 <hr·class="footer"/><address·class="footer"><small>
770 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8770 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../d4/def/a06811.html">List·of·all·members</a>··</div>78 <a·href="../../d4/def/a06811.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a5197cb4ca88df7c7833e249812574673"·id="r_a5197cb4ca88df7c7833e249812574673"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d85/a06814.html#a5197cb4ca88df7c7833e249812574673">GREEDY_K_SIZE</a></td></tr>86 <tr·class="memitem:a5197cb4ca88df7c7833e249812574673"·id="r_a5197cb4ca88df7c7833e249812574673"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d85/a06814.html#a5197cb4ca88df7c7833e249812574673">GREEDY_K_SIZE</a></td></tr>
87 <tr·class="separator:a5197cb4ca88df7c7833e249812574673"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a5197cb4ca88df7c7833e249812574673"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">KGreedyBondOrderStrategy.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a5197cb4ca88df7c7833e249812574673"·name="a5197cb4ca88df7c7833e249812574673"></a>93 <a·id="a5197cb4ca88df7c7833e249812574673"·name="a5197cb4ca88df7c7833e249812574673"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a5197cb4ca88df7c7833e249812574673">&#9670;&#160;</a></span>GREEDY_K_SIZE</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a5197cb4ca88df7c7833e249812574673">&#9670;&#160;</a></span>GREEDY_K_SIZE</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
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107 ··</td>107 ··</td>
108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">KGreedyBondOrderStrategy.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 </div><!--·contents·-->116 </div><!--·contents·-->
117 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
118 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d8/d2a/a07403.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d2a/a07403.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TCPServerThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TCPServerThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::TCPServerThread:</div>85 Inheritance·diagram·for·BALL::TCPServerThread:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/d87/a07406.png"·usemap="#BALL::TCPServerThread_map"·alt=""/>88 ··<img·src="../../d4/d87/a07406.png"·usemap="#BALL::TCPServerThread_map"·alt=""/>
89 ··<map·id="BALL::TCPServerThread_map"·name="BALL::TCPServerThread_map">89 ··<map·id="BALL::TCPServerThread_map"·name="BALL::TCPServerThread_map">
90 <area·href="../../dd/db0/a07402.html"·alt="BALL::TCPServer"·shape="rect"·coords="0,0,267,24"/>90 <area·href="../../dd/db0/a07402.html"·alt="BALL::TCPServer"·shape="rect"·coords="0,0,267,24"/>
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146 <tr·class="memitem:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"·id="r_acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memItemLeft"·align="right"·valign="top">boost::asio::ip::tcp::acceptor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html#acc4a0792f3c40c7ff81093c18bd121e7">acceptor_</a></td></tr>146 <tr·class="memitem:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"·id="r_acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memItemLeft"·align="right"·valign="top">boost::asio::ip::tcp::acceptor&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/db0/a07402.html#acc4a0792f3c40c7ff81093c18bd121e7">acceptor_</a></td></tr>
147 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7·inherit·pro_attribs_a07402"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 </table>148 </table>
149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock"><p>This·class·provides·a·simple·TCP·Server·running·in·its·own·<a·class="el"·href="../../dc/d88/a20007.html">QThread</a>.·</p>150 <div·class="textblock"><p>This·class·provides·a·simple·TCP·Server·running·in·its·own·<a·class="el"·href="../../dc/d88/a20007.html">QThread</a>.·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
153 <a·id="ae1d140afb1fe432650d2475a4bbcd28c"·name="ae1d140afb1fe432650d2475a4bbcd28c"></a>153 <a·id="ae1d140afb1fe432650d2475a4bbcd28c"·name="ae1d140afb1fe432650d2475a4bbcd28c"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d140afb1fe432650d2475a4bbcd28c">&#9670;&#160;</a></span>TCPServerThread()</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d140afb1fe432650d2475a4bbcd28c">&#9670;&#160;</a></span>TCPServerThread()</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
156 <div·class="memproto">156 <div·class="memproto">
157 ······<table·class="memname">157 ······<table·class="memname">
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350 ··</td>350 ··</td>
351 ··<td·class="mlabels-right">351 ··<td·class="mlabels-right">
352 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>352 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
353 ··</tr>353 ··</tr>
354 </table>354 </table>
355 </div><div·class="memdoc">355 </div><div·class="memdoc">
  
356 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>356 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
357 </div>357 </div>
358 </div>358 </div>
359 <a·id="add2b92024fe1eef6dbad3581649b4412"·name="add2b92024fe1eef6dbad3581649b4412"></a>359 <a·id="add2b92024fe1eef6dbad3581649b4412"·name="add2b92024fe1eef6dbad3581649b4412"></a>
360 <h2·class="memtitle"><span·class="permalink"><a·href="#add2b92024fe1eef6dbad3581649b4412">&#9670;&#160;</a></span>use_async_io_</h2>360 <h2·class="memtitle"><span·class="permalink"><a·href="#add2b92024fe1eef6dbad3581649b4412">&#9670;&#160;</a></span>use_async_io_</h2>
  
361 <div·class="memitem">361 <div·class="memitem">
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374 ··</td>374 ··</td>
375 ··<td·class="mlabels-right">375 ··<td·class="mlabels-right">
376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>376 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
377 ··</tr>377 ··</tr>
378 </table>378 </table>
379 </div><div·class="memdoc">379 </div><div·class="memdoc">
  
380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>380 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
381 </div>381 </div>
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 86 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
84 </div>87 </div>
85 <p><a·href="../../d4/d8c/a00035_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d4/d8c/a00035_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">89 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>91 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d95/a06542.html">BALL::PCMCavFreeEnergyProcessor</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dda/a05042.html">BALL::CharmmTorsion</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html">BALL::PCMCavFreeEnergyProcessor::Option</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/df9/a06550.html">BALL::PCMCavFreeEnergyProcessor::Default</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d5f/a05046.html">BALL::CharmmTorsion::SingleCharmmTorsion</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table><table·class="memberdecls">
 102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 103 Macros</h2></td></tr>
 104 <tr·class="memitem:afa806285ca09671166b3b0ae602d5bde"·id="r_afa806285ca09671166b3b0ae602d5bde"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a00035.html#afa806285ca09671166b3b0ae602d5bde">CHARMM_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr>
 105 <tr·class="memdesc:afa806285ca09671166b3b0ae602d5bde"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<br·/></td></tr>
 106 <tr·class="separator:afa806285ca09671166b3b0ae602d5bde"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>107 </table>
 108 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 109 <a·id="afa806285ca09671166b3b0ae602d5bde"·name="afa806285ca09671166b3b0ae602d5bde"></a>
 110 <h2·class="memtitle"><span·class="permalink"><a·href="#afa806285ca09671166b3b0ae602d5bde">&#9670;&#160;</a></span>CHARMM_TORSIONS_ENABLED</h2>
  
 111 <div·class="memitem">
 112 <div·class="memproto">
 113 ······<table·class="memname">
 114 ········<tr>
 115 ··········<td·class="memname">#define·CHARMM_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td>
 116 ········</tr>
 117 ······</table>
 118 </div><div·class="memdoc">
  
 119 <p>flag·to·enable·Torsions·</p>
  
 120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">charmmTorsion.h</a>.</p>
  
 121 </div>
 122 </div>
101 </div><!--·contents·-->123 </div><!--·contents·-->
102 <!--·start·footer·part·-->124 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>125 <hr·class="footer"/><address·class="footer"><small>
104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
105 </small></address>127 </small></address>
106 </body>128 </body>
107 </html>129 </html>
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78 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::Property·Struct·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom::Property·Struct·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··81 <p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··
82 ·<a·href="../../d4/d8c/a07234.html#details">More...</a></p>82 ·<a·href="../../d4/d8c/a07234.html#details">More...</a></p>
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·desctructors</div></td></tr>87 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·desctructors</div></td></tr>
88 <tr·class="memitem:a9648f133af1dc5bbf86815fc6d6cf82a"·id="r_a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">Property</a>·(<a·class="el"·href="../../d8/dd4/a07226.html#a6479e1e3075b48b1a63088373cf81b2d">PropertyType</a>·type,·int·value)</td></tr>88 <tr·class="memitem:a9648f133af1dc5bbf86815fc6d6cf82a"·id="r_a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9648f133af1dc5bbf86815fc6d6cf82a">Property</a>·(<a·class="el"·href="../../d8/dd4/a07226.html#a6479e1e3075b48b1a63088373cf81b2d">PropertyType</a>·type,·int·value)</td></tr>
89 <tr·class="memdesc:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Detailed·constructor·with·type·and·int·value.··<br·/></td></tr>89 <tr·class="memdesc:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Detailed·constructor·with·type·and·int·value.··<br·/></td></tr>
90 <tr·class="separator:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a9648f133af1dc5bbf86815fc6d6cf82a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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113 <tr·class="memitem:a9c7966506118f2c4d00edeba095fb259"·id="r_a9c7966506118f2c4d00edeba095fb259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">getValue</a>·()·const</td></tr>113 <tr·class="memitem:a9c7966506118f2c4d00edeba095fb259"·id="r_a9c7966506118f2c4d00edeba095fb259"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html#a9c7966506118f2c4d00edeba095fb259">getValue</a>·()·const</td></tr>
114 <tr·class="memdesc:a9c7966506118f2c4d00edeba095fb259"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·the·value·of·the·property··<br·/></td></tr>114 <tr·class="memdesc:a9c7966506118f2c4d00edeba095fb259"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·the·value·of·the·property··<br·/></td></tr>
115 <tr·class="separator:a9c7966506118f2c4d00edeba095fb259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a9c7966506118f2c4d00edeba095fb259"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.·</p>118 <div·class="textblock"><p><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a9648f133af1dc5bbf86815fc6d6cf82a"·name="a9648f133af1dc5bbf86815fc6d6cf82a"></a>121 <a·id="a9648f133af1dc5bbf86815fc6d6cf82a"·name="a9648f133af1dc5bbf86815fc6d6cf82a"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a9648f133af1dc5bbf86815fc6d6cf82a">&#9670;&#160;</a></span>Property()·<span·class="overload">[1/4]</span></h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a9648f133af1dc5bbf86815fc6d6cf82a">&#9670;&#160;</a></span>Property()·<span·class="overload">[1/4]</span></h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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288 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>288 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
289 ··</tr>289 ··</tr>
290 </table>290 </table>
291 </div><div·class="memdoc">291 </div><div·class="memdoc">
  
292 <p>returns·the·type·of·the·property·</p>292 <p>returns·the·type·of·the·property·</p>
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00252">252</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00252">252</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
294 </div>294 </div>
295 </div>295 </div>
296 <a·id="a9c7966506118f2c4d00edeba095fb259"·name="a9c7966506118f2c4d00edeba095fb259"></a>296 <a·id="a9c7966506118f2c4d00edeba095fb259"·name="a9c7966506118f2c4d00edeba095fb259"></a>
297 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c7966506118f2c4d00edeba095fb259">&#9670;&#160;</a></span>getValue()</h2>297 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c7966506118f2c4d00edeba095fb259">&#9670;&#160;</a></span>getValue()</h2>
  
298 <div·class="memitem">298 <div·class="memitem">
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317 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>317 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
318 ··</tr>318 ··</tr>
319 </table>319 </table>
320 </div><div·class="memdoc">320 </div><div·class="memdoc">
  
321 <p>returns·the·value·of·the·property·</p>321 <p>returns·the·value·of·the·property·</p>
  
322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00255">255</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00255">255</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
323 </div>323 </div>
324 </div>324 </div>
325 <a·id="add0bd0fa70fffbb74205f41017deb10f"·name="add0bd0fa70fffbb74205f41017deb10f"></a>325 <a·id="add0bd0fa70fffbb74205f41017deb10f"·name="add0bd0fa70fffbb74205f41017deb10f"></a>
326 <h2·class="memtitle"><span·class="permalink"><a·href="#add0bd0fa70fffbb74205f41017deb10f">&#9670;&#160;</a></span>operator=()</h2>326 <h2·class="memtitle"><span·class="permalink"><a·href="#add0bd0fa70fffbb74205f41017deb10f">&#9670;&#160;</a></span>operator=()</h2>
  
327 <div·class="memitem">327 <div·class="memitem">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/dfe/a07831.html">List·of·all·members</a>··</div>77 <a·href="../../de/dfe/a07831.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenericSelectionMessage·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GenericSelectionMessage·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::GenericSelectionMessage:</div>83 Inheritance·diagram·for·BALL::VIEW::GenericSelectionMessage:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/d8e/a07834.png"·usemap="#BALL::VIEW::GenericSelectionMessage_map"·alt=""/>86 ··<img·src="../../d4/d8e/a07834.png"·usemap="#BALL::VIEW::GenericSelectionMessage_map"·alt=""/>
87 ··<map·id="BALL::VIEW::GenericSelectionMessage_map"·name="BALL::VIEW::GenericSelectionMessage_map">87 ··<map·id="BALL::VIEW::GenericSelectionMessage_map"·name="BALL::VIEW::GenericSelectionMessage_map">
88 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,234,24"/>88 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,234,24"/>
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125 <tr·class="separator:abcbea4bd420941506a7960818ddcb3ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:abcbea4bd420941506a7960818ddcb3ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:a371536b9ca83dd9c8b7146ce9c1eb6ed"·id="r_a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8e/a07834.html#a371536b9ca83dd9c8b7146ce9c1eb6ed">getSelection</a>·()</td></tr>126 <tr·class="memitem:a371536b9ca83dd9c8b7146ce9c1eb6ed"·id="r_a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8e/a07834.html#a371536b9ca83dd9c8b7146ce9c1eb6ed">getSelection</a>·()</td></tr>
127 <tr·class="separator:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a371536b9ca83dd9c8b7146ce9c1eb6ed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p><a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·class.·<a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·is·a·container·for·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·that·are·somehow·selected.·It·will·be·sent·by·existing·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·that·collect·Composites·objects·for·a·certain·purpose.·</p>130 <div·class="textblock"><p><a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·class.·<a·class="el"·href="../../d4/d8e/a07834.html">GenericSelectionMessage</a>·is·a·container·for·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·that·are·somehow·selected.·It·will·be·sent·by·existing·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·that·collect·Composites·objects·for·a·certain·purpose.·</p>
  
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">CHPISlick.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">solventDescriptor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
84 </div>83 </div>
85 <p><a·href="../../d4/d93/a01955_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d4/d93/a01955_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
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78 ··<div·class="headertitle"><div·class="title">modelFactory.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">parameters.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d06/a01403_source.html">BALL/CONCEPT/factory.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/d6c/a00977_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d4/d95/a00989_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/d95/a00989_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NBModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NBModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/QSAR/nBModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/QSAR/nBModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
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84 <div·class="dyncontent">84 <div·class="dyncontent">
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258 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>258 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
259 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>259 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
260 </table>260 </table>
261 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>261 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
262 <div·class="textblock"><p>class·for·Naive·Bayes·</p>262 <div·class="textblock"><p>class·for·Naive·Bayes·</p>
  
263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">nBModel.h</a>.</p>263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">nBModel.h</a>.</p>
264 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>264 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
265 <a·id="a9ed30e0262bb486f5283747ee7a01912"·name="a9ed30e0262bb486f5283747ee7a01912"></a>265 <a·id="a9ed30e0262bb486f5283747ee7a01912"·name="a9ed30e0262bb486f5283747ee7a01912"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ed30e0262bb486f5283747ee7a01912">&#9670;&#160;</a></span>NBModel()</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ed30e0262bb486f5283747ee7a01912">&#9670;&#160;</a></span>NBModel()</h2>
  
267 <div·class="memitem">267 <div·class="memitem">
268 <div·class="memproto">268 <div·class="memproto">
269 ······<table·class="memname">269 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d72/a08071.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d72/a08071.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ElementColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ElementColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::ElementColorProcessor:</div>83 Inheritance·diagram·for·BALL::VIEW::ElementColorProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/d98/a08074.png"·usemap="#BALL::VIEW::ElementColorProcessor_map"·alt=""/>86 ··<img·src="../../d4/d98/a08074.png"·usemap="#BALL::VIEW::ElementColorProcessor_map"·alt=""/>
87 ··<map·id="BALL::VIEW::ElementColorProcessor_map"·name="BALL::VIEW::ElementColorProcessor_map">87 ··<map·id="BALL::VIEW::ElementColorProcessor_map"·name="BALL::VIEW::ElementColorProcessor_map">
88 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>88 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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218 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>218 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
219 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>219 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
220 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>220 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
221 </table>221 </table>
222 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>222 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
223 <div·class="textblock"><p><a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·class.·The·class·<a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·element·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object.·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>,·that·contains·all·colors·corresponding·to·the·element·symbols·of·atoms,·is·initialised.·The·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>·can·be·set·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·an·entire·molecular·object·in·its·element·colors.·</p>223 <div·class="textblock"><p><a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·class.·The·class·<a·class="el"·href="../../d4/d98/a08074.html">ElementColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·element·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object.·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>,·that·contains·all·colors·corresponding·to·the·element·symbols·of·atoms,·is·initialised.·The·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>·can·be·set·in·the·class·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·to·color·an·entire·molecular·object·in·its·element·colors.·</p>
  
224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
225 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>225 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
226 <a·id="a391ba3be9a1b8038ae293a863b21f053"·name="a391ba3be9a1b8038ae293a863b21f053"></a>226 <a·id="a391ba3be9a1b8038ae293a863b21f053"·name="a391ba3be9a1b8038ae293a863b21f053"></a>
227 <h2·class="memtitle"><span·class="permalink"><a·href="#a391ba3be9a1b8038ae293a863b21f053">&#9670;&#160;</a></span>ElementColorProcessor()</h2>227 <h2·class="memtitle"><span·class="permalink"><a·href="#a391ba3be9a1b8038ae293a863b21f053">&#9670;&#160;</a></span>ElementColorProcessor()</h2>
  
228 <div·class="memitem">228 <div·class="memitem">
229 <div·class="memproto">229 <div·class="memproto">
230 ······<table·class="memname">230 ······<table·class="memname">
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301 ··</td>301 ··</td>
302 ··<td·class="mlabels-right">302 ··<td·class="mlabels-right">
303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
304 ··</tr>304 ··</tr>
305 </table>305 </table>
306 </div><div·class="memdoc">306 </div><div·class="memdoc">
  
307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
308 </div>308 </div>
309 </div>309 </div>
310 <a·id="a549cacf9ed9d98ecf2095d947daf2cb0"·name="a549cacf9ed9d98ecf2095d947daf2cb0"></a>310 <a·id="a549cacf9ed9d98ecf2095d947daf2cb0"·name="a549cacf9ed9d98ecf2095d947daf2cb0"></a>
311 <h2·class="memtitle"><span·class="permalink"><a·href="#a549cacf9ed9d98ecf2095d947daf2cb0">&#9670;&#160;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>311 <h2·class="memtitle"><span·class="permalink"><a·href="#a549cacf9ed9d98ecf2095d947daf2cb0">&#9670;&#160;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>
  
312 <div·class="memitem">312 <div·class="memitem">
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328 ··</td>328 ··</td>
329 ··<td·class="mlabels-right">329 ··<td·class="mlabels-right">
330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
331 ··</tr>331 ··</tr>
332 </table>332 </table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
  
334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
335 </div>335 </div>
336 </div>336 </div>
337 <a·id="a2ddd048847cd8304286d53e6cf05390a"·name="a2ddd048847cd8304286d53e6cf05390a"></a>337 <a·id="a2ddd048847cd8304286d53e6cf05390a"·name="a2ddd048847cd8304286d53e6cf05390a"></a>
338 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ddd048847cd8304286d53e6cf05390a">&#9670;&#160;</a></span>setTransparency()</h2>338 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ddd048847cd8304286d53e6cf05390a">&#9670;&#160;</a></span>setTransparency()</h2>
  
339 <div·class="memitem">339 <div·class="memitem">
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382 ··</td>382 ··</td>
383 ··<td·class="mlabels-right">383 ··<td·class="mlabels-right">
384 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>384 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
385 ··</tr>385 ··</tr>
386 </table>386 </table>
387 </div><div·class="memdoc">387 </div><div·class="memdoc">
  
388 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>388 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
389 </div>389 </div>
390 </div>390 </div>
391 </div><!--·contents·-->391 </div><!--·contents·-->
392 <!--·start·footer·part·-->392 <!--·start·footer·part·-->
393 <hr·class="footer"/><address·class="footer"><small>393 <hr·class="footer"/><address·class="footer"><small>
394 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8394 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·radiusRuleProcessor.h·File·Reference</title>8 <title>BALL:·randomCoilShiftProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">radiusRuleProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">randomCoilShiftProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d4/d99/a01634_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d4/d99/a01634_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a05098.html">BALL::RadiusRuleProcessor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d79/a05522.html">BALL::RandomCoilShiftProcessor</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
75 ··<div·class="headertitle"><div·class="title">molmec.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">hashSet.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;BALL/MOLMEC/amber.h&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/dfa/a00626_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../de/d98/a20341_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
79 <code>#include·&lt;BALL/MOLMEC/common.h&gt;</code><br·/>88 <code>#include·&lt;algorithm&gt;</code><br·/>
80 <code>#include·&lt;BALL/MOLMEC/mdsimulation.h&gt;</code><br·/> 
81 <code>#include·&lt;BALL/MOLMEC/minimization.h&gt;</code><br·/> 
82 <code>#include·&lt;BALL/MOLMEC/parameter.h&gt;</code><br·/> 
83 </div>89 </div>
84 <p><a·href="../../d4/d9b/a00680_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d4/d9b/a00680_source.html">Go·to·the·source·code·of·this·file.</a></p>
 91 <table·class="memberdecls">
 92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 93 Classes</h2></td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet&lt;·Key·&gt;</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html">BALL::HashSet&lt;·Key·&gt;::Node</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d96/a03546.html">BALL::HashSet&lt;·Key·&gt;::IteratorTraits</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a03550.html">BALL::HashSet&lt;·Key·&gt;::IllegalKey</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 </table><table·class="memberdecls">
 103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 104 Namespaces</h2></td></tr>
 105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 107 </table>
85 </div><!--·contents·-->108 </div><!--·contents·-->
86 <!--·start·footer·part·-->109 <!--·start·footer·part·-->
87 <hr·class="footer"/><address·class="footer"><small>110 <hr·class="footer"/><address·class="footer"><small>
88 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8111 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·slickScore.h·File·Reference</title>8 <title>BALL:·vanDerWaals.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">slickScore.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">vanDerWaals.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d4/d9b/a02039_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/d9b/a02039_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9c/a06450.html">BALL::SLICKScore</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d89/a06366.html">BALL::VanDerWaals</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html">BALL::SLICKScore::Option</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a06458.html">BALL::SLICKScore::Default</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
98 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/dcf/a07411.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dcf/a07411.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloader·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SimpleDownloader·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/SYSTEM/simpleDownloader.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SimpleDownloader:</div>84 Inheritance·diagram·for·BALL::SimpleDownloader:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/da1/a07414.png"·usemap="#BALL::SimpleDownloader_map"·alt=""/>87 ··<img·src="../../d4/da1/a07414.png"·usemap="#BALL::SimpleDownloader_map"·alt=""/>
88 ··<map·id="BALL::SimpleDownloader_map"·name="BALL::SimpleDownloader_map">88 ··<map·id="BALL::SimpleDownloader_map"·name="BALL::SimpleDownloader_map">
89 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,154,24"/>89 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,154,24"/>
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119 <tr·class="separator:a6b1e2680186dc517379a177ce65a5444"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a6b1e2680186dc517379a177ce65a5444"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p>This·class·provides·an·interface·for·synchronous·downloads.·It·currently·relies·on·QNetworkAccessManager·and·thus·on·the·existence·of·a·QCoreApplication·object.·If·no·global·instance·is·existing·a·local·application·object·is·created.·For·this·reason·you·must·not·use·this·class·in·any·thread·but·the·main·thread·if·you·did·not·create·a·QCoreApplication·object·yourself.</p>122 <div·class="textblock"><p>This·class·provides·an·interface·for·synchronous·downloads.·It·currently·relies·on·QNetworkAccessManager·and·thus·on·the·existence·of·a·QCoreApplication·object.·If·no·global·instance·is·existing·a·local·application·object·is·created.·For·this·reason·you·must·not·use·this·class·in·any·thread·but·the·main·thread·if·you·did·not·create·a·QCoreApplication·object·yourself.</p>
123 <p>REMARK:·this·class·is·considered·experimental·and·its·interface·can·be·a·subject·to·redesign.·</p>123 <p>REMARK:·this·class·is·considered·experimental·and·its·interface·can·be·a·subject·to·redesign.·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">simpleDownloader.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5c/a00752_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dd/d5c/a00752_source.html">simpleDownloader.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="afe6f0c97e8182f0f794a6b4f596132b8"·name="afe6f0c97e8182f0f794a6b4f596132b8"></a>126 <a·id="afe6f0c97e8182f0f794a6b4f596132b8"·name="afe6f0c97e8182f0f794a6b4f596132b8"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6f0c97e8182f0f794a6b4f596132b8">&#9670;&#160;</a></span>SimpleDownloader()·<span·class="overload">[1/2]</span></h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6f0c97e8182f0f794a6b4f596132b8">&#9670;&#160;</a></span>SimpleDownloader()·<span·class="overload">[1/2]</span></h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 ······<table·class="memname">130 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d1/dc1/a04099.html">List·of·all·members</a>··</div>78 <a·href="../../d1/dc1/a04099.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordUNKNOWN·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordUNKNOWN·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aceacf01fa353f1f7b67b513c74068bcb"·id="r_aceacf01fa353f1f7b67b513c74068bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da2/a04102.html#aceacf01fa353f1f7b67b513c74068bcb">max_record_size</a>·[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td></tr>86 <tr·class="memitem:aceacf01fa353f1f7b67b513c74068bcb"·id="r_aceacf01fa353f1f7b67b513c74068bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/da2/a04102.html#aceacf01fa353f1f7b67b513c74068bcb">max_record_size</a>·[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td></tr>
87 <tr·class="separator:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aceacf01fa353f1f7b67b513c74068bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00368">368</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="aceacf01fa353f1f7b67b513c74068bcb"·name="aceacf01fa353f1f7b67b513c74068bcb"></a>93 <a·id="aceacf01fa353f1f7b67b513c74068bcb"·name="aceacf01fa353f1f7b67b513c74068bcb"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#aceacf01fa353f1f7b67b513c74068bcb">&#9670;&#160;</a></span>max_record_size</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#aceacf01fa353f1f7b67b513c74068bcb">&#9670;&#160;</a></span>max_record_size</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
98 ········<tr>98 ········<tr>
99 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordUNKNOWN::max_record_size[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td>99 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordUNKNOWN::max_record_size[<a·class="el"·href="../../d3/d10/a02226.html#a3cc4c5ced2c08ff10cbefafa91b5635ea4a487f6b3bbc444fb29fcbad215dc5eb">SIZE_OF_PDB_RECORD_LINE</a>]</td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00370">370</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
104 </div>104 </div>
105 </div>105 </div>
106 </div><!--·contents·-->106 </div><!--·contents·-->
107 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../dc/d4f/a06619.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d4f/a06619.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/de0/a00050_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ad1cec32c3ad538f9b39ec322440b04fc"·id="r_ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ad1cec32c3ad538f9b39ec322440b04fc">VERBOSITY</a></td></tr>86 <tr·class="memitem:ad1cec32c3ad538f9b39ec322440b04fc"·id="r_ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ad1cec32c3ad538f9b39ec322440b04fc">VERBOSITY</a></td></tr>
87 <tr·class="separator:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ad1cec32c3ad538f9b39ec322440b04fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ac6bd9799d8e88fa95ec1cbf7cc003978"·id="r_ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ac6bd9799d8e88fa95ec1cbf7cc003978">PROBE_RADIUS</a></td></tr>88 <tr·class="memitem:ac6bd9799d8e88fa95ec1cbf7cc003978"·id="r_ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#ac6bd9799d8e88fa95ec1cbf7cc003978">PROBE_RADIUS</a></td></tr>
89 <tr·class="separator:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac6bd9799d8e88fa95ec1cbf7cc003978"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="separator:ae135f9c1cbba6eb251e91c942aadffd2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:ae135f9c1cbba6eb251e91c942aadffd2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:a3eafd2ed77f5ac83c35a4e76ed6d0229"·id="r_a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#a3eafd2ed77f5ac83c35a4e76ed6d0229">CONSTANT</a></td></tr>93 <tr·class="memitem:a3eafd2ed77f5ac83c35a4e76ed6d0229"·id="r_a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dab/a06622.html#a3eafd2ed77f5ac83c35a4e76ed6d0229">CONSTANT</a></td></tr>
94 <tr·class="separator:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a3eafd2ed77f5ac83c35a4e76ed6d0229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../db/d03/a06618.html#acafee5b8205f345c769e8f314e4208dd">UhligCavFreeEnergyProcessor::options</a>.·</p>97 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../db/d03/a06618.html#acafee5b8205f345c769e8f314e4208dd">UhligCavFreeEnergyProcessor::options</a>.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
99 </div><h2·class="groupheader">Member·Data·Documentation</h2>99 </div><h2·class="groupheader">Member·Data·Documentation</h2>
100 <a·id="a3eafd2ed77f5ac83c35a4e76ed6d0229"·name="a3eafd2ed77f5ac83c35a4e76ed6d0229"></a>100 <a·id="a3eafd2ed77f5ac83c35a4e76ed6d0229"·name="a3eafd2ed77f5ac83c35a4e76ed6d0229"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eafd2ed77f5ac83c35a4e76ed6d0229">&#9670;&#160;</a></span>CONSTANT</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eafd2ed77f5ac83c35a4e76ed6d0229">&#9670;&#160;</a></span>CONSTANT</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 <table·class="mlabels">104 <table·class="mlabels">
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121 <dl·class="params"><dt>Parameters</dt><dd>121 <dl·class="params"><dt>Parameters</dt><dd>
122 ··<table·class="params">122 ··<table·class="params">
123 ····<tr><td·class="paramname">constant</td><td>float;·</td></tr>123 ····<tr><td·class="paramname">constant</td><td>float;·</td></tr>
124 ··</table>124 ··</table>
125 ··</dd>125 ··</dd>
126 </dl>126 </dl>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="ac6bd9799d8e88fa95ec1cbf7cc003978"·name="ac6bd9799d8e88fa95ec1cbf7cc003978"></a>130 <a·id="ac6bd9799d8e88fa95ec1cbf7cc003978"·name="ac6bd9799d8e88fa95ec1cbf7cc003978"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6bd9799d8e88fa95ec1cbf7cc003978">&#9670;&#160;</a></span>PROBE_RADIUS</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6bd9799d8e88fa95ec1cbf7cc003978">&#9670;&#160;</a></span>PROBE_RADIUS</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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152 <dl·class="params"><dt>Parameters</dt><dd>152 <dl·class="params"><dt>Parameters</dt><dd>
153 ··<table·class="params">153 ··<table·class="params">
154 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>154 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
155 ··</table>155 ··</table>
156 ··</dd>156 ··</dd>
157 </dl>157 </dl>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <a·id="ae135f9c1cbba6eb251e91c942aadffd2"·name="ae135f9c1cbba6eb251e91c942aadffd2"></a>161 <a·id="ae135f9c1cbba6eb251e91c942aadffd2"·name="ae135f9c1cbba6eb251e91c942aadffd2"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#ae135f9c1cbba6eb251e91c942aadffd2">&#9670;&#160;</a></span>SURFACE_TENSION</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#ae135f9c1cbba6eb251e91c942aadffd2">&#9670;&#160;</a></span>SURFACE_TENSION</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
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183 <dl·class="params"><dt>Parameters</dt><dd>183 <dl·class="params"><dt>Parameters</dt><dd>
184 ··<table·class="params">184 ··<table·class="params">
185 ····<tr><td·class="paramname">surface_tension</td><td>float;·</td></tr>185 ····<tr><td·class="paramname">surface_tension</td><td>float;·</td></tr>
186 ··</table>186 ··</table>
187 ··</dd>187 ··</dd>
188 </dl>188 </dl>
  
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190 </div>190 </div>
191 </div>191 </div>
192 <a·id="ad1cec32c3ad538f9b39ec322440b04fc"·name="ad1cec32c3ad538f9b39ec322440b04fc"></a>192 <a·id="ad1cec32c3ad538f9b39ec322440b04fc"·name="ad1cec32c3ad538f9b39ec322440b04fc"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cec32c3ad538f9b39ec322440b04fc">&#9670;&#160;</a></span>VERBOSITY</h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cec32c3ad538f9b39ec322440b04fc">&#9670;&#160;</a></span>VERBOSITY</h2>
  
194 <div·class="memitem">194 <div·class="memitem">
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214 <dl·class="params"><dt>Parameters</dt><dd>214 <dl·class="params"><dt>Parameters</dt><dd>
215 ··<table·class="params">215 ··<table·class="params">
216 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>216 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
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218 ··</dd>218 ··</dd>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/dcf/a07859.html">List·of·all·members</a>··</div>78 <a·href="../../d4/dcf/a07859.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CreateRepresentationMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CreateRepresentationMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::CreateRepresentationMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::CreateRepresentationMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/dad/a07862.png"·usemap="#BALL::VIEW::CreateRepresentationMessage_map"·alt=""/>87 ··<img·src="../../d4/dad/a07862.png"·usemap="#BALL::VIEW::CreateRepresentationMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::CreateRepresentationMessage_map"·name="BALL::VIEW::CreateRepresentationMessage_map">88 ··<map·id="BALL::VIEW::CreateRepresentationMessage_map"·name="BALL::VIEW::CreateRepresentationMessage_map">
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123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock"><p>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·so·that·it·creates·a·new·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p><dl·class="section·user"><dt></dt><dd>Send·by·the·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>125 <div·class="textblock"><p>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·so·that·it·creates·a·new·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p><dl·class="section·user"><dt></dt><dd>Send·by·the·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00689">689</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00689">689</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="acf3ce1afd7a8c16072fc3e1d4bb72e06"·name="acf3ce1afd7a8c16072fc3e1d4bb72e06"></a>128 <a·id="acf3ce1afd7a8c16072fc3e1d4bb72e06"·name="acf3ce1afd7a8c16072fc3e1d4bb72e06"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#acf3ce1afd7a8c16072fc3e1d4bb72e06">&#9670;&#160;</a></span>CreateRepresentationMessage()·<span·class="overload">[1/2]</span></h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#acf3ce1afd7a8c16072fc3e1d4bb72e06">&#9670;&#160;</a></span>CreateRepresentationMessage()·<span·class="overload">[1/2]</span></h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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197 ··</td>197 ··</td>
198 ··<td·class="mlabels-right">198 ··<td·class="mlabels-right">
199 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>199 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
200 ··</tr>200 ··</tr>
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202 </div><div·class="memdoc">202 </div><div·class="memdoc">
  
203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00711">711</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00711">711</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
204 </div>204 </div>
205 </div>205 </div>
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207 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ef9162b95f6fb8cd1e09ff9e92cff8">&#9670;&#160;</a></span>getComposites()</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#ad6ef9162b95f6fb8cd1e09ff9e92cff8">&#9670;&#160;</a></span>getComposites()</h2>
  
208 <div·class="memitem">208 <div·class="memitem">
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224 ··</td>224 ··</td>
225 ··<td·class="mlabels-right">225 ··<td·class="mlabels-right">
226 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>226 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
227 ··</tr>227 ··</tr>
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230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00703">703</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00703">703</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
231 </div>231 </div>
232 </div>232 </div>
233 <a·id="a637ad9c9f71e8a83a060cc1b51c7f6b7"·name="a637ad9c9f71e8a83a060cc1b51c7f6b7"></a>233 <a·id="a637ad9c9f71e8a83a060cc1b51c7f6b7"·name="a637ad9c9f71e8a83a060cc1b51c7f6b7"></a>
234 <h2·class="memtitle"><span·class="permalink"><a·href="#a637ad9c9f71e8a83a060cc1b51c7f6b7">&#9670;&#160;</a></span>getModelType()</h2>234 <h2·class="memtitle"><span·class="permalink"><a·href="#a637ad9c9f71e8a83a060cc1b51c7f6b7">&#9670;&#160;</a></span>getModelType()</h2>
  
235 <div·class="memitem">235 <div·class="memitem">
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8 <title>BALL:·PB.h·File·Reference</title>8 <title>BALL:·energeticEvaluation.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">PB.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">energeticEvaluation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d2e/a00056_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>82 <code>#include·&lt;vector&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d4/dae/a01994_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d4/dae/a01994_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>87 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d1b/a06326.html">BALL::PB</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html">BALL::EnergeticEvaluation</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d4/db1/a03678.html#details">More...</a></p>83 ·<a·href="../../d4/db1/a03678.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:ac90603e548732c88a1a9e9709a1d1b56"·id="r_ac90603e548732c88a1a9e9709a1d1b56"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#ac90603e548732c88a1a9e9709a1d1b56">CLUSTER_METHOD</a></td></tr>88 <tr·class="memitem:ac90603e548732c88a1a9e9709a1d1b56"·id="r_ac90603e548732c88a1a9e9709a1d1b56"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#ac90603e548732c88a1a9e9709a1d1b56">CLUSTER_METHOD</a></td></tr>
89 <tr·class="separator:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac90603e548732c88a1a9e9709a1d1b56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a5b4b071656d6cb1a78bf42a141371001"·id="r_a5b4b071656d6cb1a78bf42a141371001"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a5b4b071656d6cb1a78bf42a141371001">DISTANCE_THRESHOLD</a></td></tr>90 <tr·class="memitem:a5b4b071656d6cb1a78bf42a141371001"·id="r_a5b4b071656d6cb1a78bf42a141371001"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a5b4b071656d6cb1a78bf42a141371001">DISTANCE_THRESHOLD</a></td></tr>
91 <tr·class="separator:a5b4b071656d6cb1a78bf42a141371001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a5b4b071656d6cb1a78bf42a141371001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="separator:a83a0942c7ca5d8d8a1c1070bc3807cde"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a83a0942c7ca5d8d8a1c1070bc3807cde"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:a2ef49f856ee82bd01fd0cbb65b0b2c1f"·id="r_a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a2ef49f856ee82bd01fd0cbb65b0b2c1f">RUN_PARALLEL</a></td></tr>98 <tr·class="memitem:a2ef49f856ee82bd01fd0cbb65b0b2c1f"·id="r_a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db1/a03678.html#a2ef49f856ee82bd01fd0cbb65b0b2c1f">RUN_PARALLEL</a></td></tr>
99 <tr·class="separator:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a2ef49f856ee82bd01fd0cbb65b0b2c1f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.·</p>102 <div·class="textblock"><p><a·class="el"·href="../../d4/db1/a03678.html"·title="Option·names.">Option</a>·names.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
104 </div><h2·class="groupheader">Member·Data·Documentation</h2>104 </div><h2·class="groupheader">Member·Data·Documentation</h2>
105 <a·id="ac90603e548732c88a1a9e9709a1d1b56"·name="ac90603e548732c88a1a9e9709a1d1b56"></a>105 <a·id="ac90603e548732c88a1a9e9709a1d1b56"·name="ac90603e548732c88a1a9e9709a1d1b56"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#ac90603e548732c88a1a9e9709a1d1b56">&#9670;&#160;</a></span>CLUSTER_METHOD</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#ac90603e548732c88a1a9e9709a1d1b56">&#9670;&#160;</a></span>CLUSTER_METHOD</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <table·class="mlabels">109 <table·class="mlabels">
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120 ··<td·class="mlabels-right">120 ··<td·class="mlabels-right">
121 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>121 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
122 ··</tr>122 ··</tr>
123 </table>123 </table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
125 <p>the·clustering·method·</p>125 <p>the·clustering·method·</p>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <a·id="a5b4b071656d6cb1a78bf42a141371001"·name="a5b4b071656d6cb1a78bf42a141371001"></a>129 <a·id="a5b4b071656d6cb1a78bf42a141371001"·name="a5b4b071656d6cb1a78bf42a141371001"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b4b071656d6cb1a78bf42a141371001">&#9670;&#160;</a></span>DISTANCE_THRESHOLD</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b4b071656d6cb1a78bf42a141371001">&#9670;&#160;</a></span>DISTANCE_THRESHOLD</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
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145 ··<td·class="mlabels-right">145 ··<td·class="mlabels-right">
146 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>146 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
147 ··</tr>147 ··</tr>
148 </table>148 </table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <p>the·threshold·for·minimal·required·cluster·distance·</p>150 <p>the·threshold·for·minimal·required·cluster·distance·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00141">141</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00141">141</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <a·id="ae45b1a3c58d70fb62b395b232d5db4d2"·name="ae45b1a3c58d70fb62b395b232d5db4d2"></a>154 <a·id="ae45b1a3c58d70fb62b395b232d5db4d2"·name="ae45b1a3c58d70fb62b395b232d5db4d2"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae45b1a3c58d70fb62b395b232d5db4d2">&#9670;&#160;</a></span>RMSD_LEVEL_OF_DETAIL</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae45b1a3c58d70fb62b395b232d5db4d2">&#9670;&#160;</a></span>RMSD_LEVEL_OF_DETAIL</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
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170 ··<td·class="mlabels-right">170 ··<td·class="mlabels-right">
171 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>171 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
172 ··</tr>172 ··</tr>
173 </table>173 </table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
175 <p>the·level·of·detail·when·computing·the·RMSD·</p>175 <p>the·level·of·detail·when·computing·the·RMSD·</p>
  
176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>176 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
177 </div>177 </div>
178 </div>178 </div>
179 <a·id="a83a0942c7ca5d8d8a1c1070bc3807cde"·name="a83a0942c7ca5d8d8a1c1070bc3807cde"></a>179 <a·id="a83a0942c7ca5d8d8a1c1070bc3807cde"·name="a83a0942c7ca5d8d8a1c1070bc3807cde"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a83a0942c7ca5d8d8a1c1070bc3807cde">&#9670;&#160;</a></span>RMSD_TYPE</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a83a0942c7ca5d8d8a1c1070bc3807cde">&#9670;&#160;</a></span>RMSD_TYPE</h2>
  
181 <div·class="memitem">181 <div·class="memitem">
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195 ··<td·class="mlabels-right">195 ··<td·class="mlabels-right">
196 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>196 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
197 ··</tr>197 ··</tr>
198 </table>198 </table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
200 <p>the·computation·type·of·the·cluster·distance·meassure·</p>200 <p>the·computation·type·of·the·cluster·distance·meassure·</p>
  
201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>201 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
202 </div>202 </div>
203 </div>203 </div>
204 <a·id="a2ef49f856ee82bd01fd0cbb65b0b2c1f"·name="a2ef49f856ee82bd01fd0cbb65b0b2c1f"></a>204 <a·id="a2ef49f856ee82bd01fd0cbb65b0b2c1f"·name="a2ef49f856ee82bd01fd0cbb65b0b2c1f"></a>
205 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef49f856ee82bd01fd0cbb65b0b2c1f">&#9670;&#160;</a></span>RUN_PARALLEL</h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef49f856ee82bd01fd0cbb65b0b2c1f">&#9670;&#160;</a></span>RUN_PARALLEL</h2>
  
206 <div·class="memitem">206 <div·class="memitem">
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220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
225 <p>flag·for·requesting·parallel·execution·</p>225 <p>flag·for·requesting·parallel·execution·</p>
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
227 </div>227 </div>
228 </div>228 </div>
229 </div><!--·contents·-->229 </div><!--·contents·-->
230 <!--·start·footer·part·-->230 <!--·start·footer·part·-->
231 <hr·class="footer"/><address·class="footer"><small>231 <hr·class="footer"/><address·class="footer"><small>
232 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8232 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/da2/a04991.html">List·of·all·members</a>··</div>78 <a·href="../../d1/da2/a04991.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::TruePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::TruePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::GAFFCESParser::TruePredicate:</div>84 Inheritance·diagram·for·BALL::GAFFCESParser::TruePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/dbc/a04994.png"·usemap="#BALL::GAFFCESParser::TruePredicate_map"·alt=""/>87 ··<img·src="../../d4/dbc/a04994.png"·usemap="#BALL::GAFFCESParser::TruePredicate_map"·alt=""/>
88 ··<map·id="BALL::GAFFCESParser::TruePredicate_map"·name="BALL::GAFFCESParser::TruePredicate_map">88 ··<map·id="BALL::GAFFCESParser::TruePredicate_map"·name="BALL::GAFFCESParser::TruePredicate_map">
89 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,232,24"/>89 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,232,24"/>
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155 <tr·class="memitem:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"·id="r_aa77b525e539ca3ff3c88796eda9f4666"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../d3/d64/a04974.html#a2df6f0e5b38790bae2acee06dcc7bb5d">CESwildcards</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#aa77b525e539ca3ff3c88796eda9f4666">stringToWildcard_</a></td></tr>155 <tr·class="memitem:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"·id="r_aa77b525e539ca3ff3c88796eda9f4666"><td·class="memItemLeft"·align="right"·valign="top">std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../d3/d64/a04974.html#a2df6f0e5b38790bae2acee06dcc7bb5d">CESwildcards</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#aa77b525e539ca3ff3c88796eda9f4666">stringToWildcard_</a></td></tr>
156 <tr·class="separator:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:aa77b525e539ca3ff3c88796eda9f4666·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 <tr·class="memitem:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"·id="r_a130fff243e545f94e485e52a7d0b1aa6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd4/a04958.html">GAFFCESParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#a130fff243e545f94e485e52a7d0b1aa6">parser_</a></td></tr>157 <tr·class="memitem:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"·id="r_a130fff243e545f94e485e52a7d0b1aa6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d1/dd4/a04958.html">GAFFCESParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d64/a04974.html#a130fff243e545f94e485e52a7d0b1aa6">parser_</a></td></tr>
158 <tr·class="separator:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a130fff243e545f94e485e52a7d0b1aa6·inherit·pro_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock">161 <div·class="textblock">
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>163 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
164 <a·id="ac8ee9723ffe18b671e5bb7735530a5b5"·name="ac8ee9723ffe18b671e5bb7735530a5b5"></a>164 <a·id="ac8ee9723ffe18b671e5bb7735530a5b5"·name="ac8ee9723ffe18b671e5bb7735530a5b5"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8ee9723ffe18b671e5bb7735530a5b5">&#9670;&#160;</a></span>TruePredicate()</h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8ee9723ffe18b671e5bb7735530a5b5">&#9670;&#160;</a></span>TruePredicate()</h2>
  
166 <div·class="memitem">166 <div·class="memitem">
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168 <table·class="mlabels">168 <table·class="mlabels">
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181 ··</td>181 ··</td>
182 ··<td·class="mlabels-right">182 ··<td·class="mlabels-right">
183 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>183 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
184 ··</tr>184 ··</tr>
185 </table>185 </table>
186 </div><div·class="memdoc">186 </div><div·class="memdoc">
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
188 </div>188 </div>
189 </div>189 </div>
190 <a·id="a0eae33624d1cd1e3288ce5bccc42df36"·name="a0eae33624d1cd1e3288ce5bccc42df36"></a>190 <a·id="a0eae33624d1cd1e3288ce5bccc42df36"·name="a0eae33624d1cd1e3288ce5bccc42df36"></a>
191 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eae33624d1cd1e3288ce5bccc42df36">&#9670;&#160;</a></span>~TruePredicate()</h2>191 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eae33624d1cd1e3288ce5bccc42df36">&#9670;&#160;</a></span>~TruePredicate()</h2>
  
192 <div·class="memitem">192 <div·class="memitem">
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208 ··</td>208 ··</td>
209 ··<td·class="mlabels-right">209 ··<td·class="mlabels-right">
210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>210 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
211 ··</tr>211 ··</tr>
212 </table>212 </table>
213 </div><div·class="memdoc">213 </div><div·class="memdoc">
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00282">282</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00282">282</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <h2·class="groupheader">Member·Function·Documentation</h2>217 <h2·class="groupheader">Member·Function·Documentation</h2>
218 <a·id="af480ff1d5e76244dc6b3263dcf97737a"·name="af480ff1d5e76244dc6b3263dcf97737a"></a>218 <a·id="af480ff1d5e76244dc6b3263dcf97737a"·name="af480ff1d5e76244dc6b3263dcf97737a"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#af480ff1d5e76244dc6b3263dcf97737a">&#9670;&#160;</a></span>match()</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#af480ff1d5e76244dc6b3263dcf97737a">&#9670;&#160;</a></span>match()</h2>
  
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239 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
240 ··</tr>240 ··</tr>
241 </table>241 </table>
242 </div><div·class="memdoc">242 </div><div·class="memdoc">
  
243 <p>Reimplemented·from·<a·class="el"·href="../../d3/d64/a04974.html#a6fa77d239dc477a82acd8ed00361e0bc">BALL::GAFFCESParser::CESPredicate</a>.</p>243 <p>Reimplemented·from·<a·class="el"·href="../../d3/d64/a04974.html#a6fa77d239dc477a82acd8ed00361e0bc">BALL::GAFFCESParser::CESPredicate</a>.</p>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00284">284</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00284">284</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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246 </div>246 </div>
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248 <!--·start·footer·part·-->248 <!--·start·footer·part·-->
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250 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8250 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/df0/a05791.html">List·of·all·members</a>··</div>77 <a·href="../../d8/df0/a05791.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeBase·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeBase·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddc/a00917_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
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84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/dc2/a05794.png"·usemap="#BALL::PartialChargeBase_map"·alt=""/>86 ··<img·src="../../d4/dc2/a05794.png"·usemap="#BALL::PartialChargeBase_map"·alt=""/>
87 ··<map·id="BALL::PartialChargeBase_map"·name="BALL::PartialChargeBase_map">87 ··<map·id="BALL::PartialChargeBase_map"·name="BALL::PartialChargeBase_map">
88 <area·href="../../da/d64/a05666.html"·alt="BALL::Descriptor"·shape="rect"·coords="526,112,867,136"/>88 <area·href="../../da/d64/a05666.html"·alt="BALL::Descriptor"·shape="rect"·coords="526,112,867,136"/>
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181 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>181 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
182 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>182 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
183 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>183 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
184 </table>184 </table>
185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
186 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·partial·charge·descriptor·class·\·</p>186 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·partial·charge·descriptor·class·\·</p>
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">partialChargeBase.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">partialChargeBase.h</a>.</p>
188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="a1a6019c7d734916f118bed451321541d"·name="a1a6019c7d734916f118bed451321541d"></a>189 <a·id="a1a6019c7d734916f118bed451321541d"·name="a1a6019c7d734916f118bed451321541d"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a6019c7d734916f118bed451321541d">&#9670;&#160;</a></span>PartialChargeBase()·<span·class="overload">[1/4]</span></h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a6019c7d734916f118bed451321541d">&#9670;&#160;</a></span>PartialChargeBase()·<span·class="overload">[1/4]</span></h2>
  
191 <div·class="memitem">191 <div·class="memitem">
192 <div·class="memproto">192 <div·class="memproto">
193 ······<table·class="memname">193 ······<table·class="memname">
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427 ··</td>427 ··</td>
428 ··<td·class="mlabels-right">428 ··<td·class="mlabels-right">
429 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>429 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
430 ··</tr>430 ··</tr>
431 </table>431 </table>
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433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">partialChargeBase.h</a>.</p>433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d93/a00341_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d3/d93/a00341_source.html">partialChargeBase.h</a>.</p>
  
434 </div>434 </div>
435 </div>435 </div>
436 </div><!--·contents·-->436 </div><!--·contents·-->
437 <!--·start·footer·part·-->437 <!--·start·footer·part·-->
438 <hr·class="footer"/><address·class="footer"><small>438 <hr·class="footer"/><address·class="footer"><small>
439 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8439 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d8c/a04703.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d8c/a04703.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::InRingPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::InRingPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::InRingPredicate:</div>84 Inheritance·diagram·for·BALL::InRingPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/dc3/a04706.png"·usemap="#BALL::InRingPredicate_map"·alt=""/>87 ··<img·src="../../d4/dc3/a04706.png"·usemap="#BALL::InRingPredicate_map"·alt=""/>
88 ··<map·id="BALL::InRingPredicate_map"·name="BALL::InRingPredicate_map">88 ··<map·id="BALL::InRingPredicate_map"·name="BALL::InRingPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p>Predicate·for·atoms·being·included·in·rings·of·a·certain·number.·</p>140 <div·class="textblock"><p>Predicate·for·atoms·being·included·in·rings·of·a·certain·number.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00322">322</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>142 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
143 <a·id="a32c914cb70615fd3964b0878b34a8068"·name="a32c914cb70615fd3964b0878b34a8068"></a>143 <a·id="a32c914cb70615fd3964b0878b34a8068"·name="a32c914cb70615fd3964b0878b34a8068"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a32c914cb70615fd3964b0878b34a8068">&#9670;&#160;</a></span>InRingPredicate()·<span·class="overload">[1/2]</span></h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a32c914cb70615fd3964b0878b34a8068">&#9670;&#160;</a></span>InRingPredicate()·<span·class="overload">[1/2]</span></h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
147 ······<table·class="memname">147 ······<table·class="memname">
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_318e4e36585355a52a6b5535463b9898.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">label.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">init.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/df5/a00137_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d4/dc4/a00617_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/dc4/a00617_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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99 </div><!--·contents·-->95 </div><!--·contents·-->
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101 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/dc5/a08419.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dc5/a08419.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewErrorWidget·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HTMLViewErrorWidget·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/VIEW/WIDGETS/HTMLView.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::HTMLViewErrorWidget:</div>84 Inheritance·diagram·for·BALL::VIEW::HTMLViewErrorWidget:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/dc6/a08422.png"·usemap="#BALL::VIEW::HTMLViewErrorWidget_map"·alt=""/>87 ··<img·src="../../d4/dc6/a08422.png"·usemap="#BALL::VIEW::HTMLViewErrorWidget_map"·alt=""/>
88 ··<map·id="BALL::VIEW::HTMLViewErrorWidget_map"·name="BALL::VIEW::HTMLViewErrorWidget_map">88 ··<map·id="BALL::VIEW::HTMLViewErrorWidget_map"·name="BALL::VIEW::HTMLViewErrorWidget_map">
89 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>89 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,216,24"/>
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94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
95 Public·Member·Functions</h2></td></tr>95 Public·Member·Functions</h2></td></tr>
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97 <tr·class="separator:abe1c56faeffecedc4b28dc1c60858102"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:abe1c56faeffecedc4b28dc1c60858102"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock">100 <div·class="textblock">
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d4e/a00329_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../dd/d4e/a00329_source.html">HTMLView.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">HTMLView.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="abe1c56faeffecedc4b28dc1c60858102"·name="abe1c56faeffecedc4b28dc1c60858102"></a>103 <a·id="abe1c56faeffecedc4b28dc1c60858102"·name="abe1c56faeffecedc4b28dc1c60858102"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#abe1c56faeffecedc4b28dc1c60858102">&#9670;&#160;</a></span>HTMLViewErrorWidget()</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#abe1c56faeffecedc4b28dc1c60858102">&#9670;&#160;</a></span>HTMLViewErrorWidget()</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
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127 </div>127 </div>
128 </div>128 </div>
129 </div><!--·contents·-->129 </div><!--·contents·-->
130 <!--·start·footer·part·-->130 <!--·start·footer·part·-->
131 <hr·class="footer"/><address·class="footer"><small>131 <hr·class="footer"/><address·class="footer"><small>
132 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8132 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/dba/a05619.html">List·of·all·members</a>··</div>77 <a·href="../../de/dba/a05619.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ClassificationValidation·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ClassificationValidation·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/QSAR/classificationValidation.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/d65/a00458_source.html">BALL/QSAR/classificationValidation.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::ClassificationValidation:</div>83 Inheritance·diagram·for·BALL::QSAR::ClassificationValidation:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/dc8/a05622.png"·usemap="#BALL::QSAR::ClassificationValidation_map"·alt=""/>86 ··<img·src="../../d4/dc8/a05622.png"·usemap="#BALL::QSAR::ClassificationValidation_map"·alt=""/>
87 ··<map·id="BALL::QSAR::ClassificationValidation_map"·name="BALL::QSAR::ClassificationValidation_map">87 ··<map·id="BALL::QSAR::ClassificationValidation_map"·name="BALL::QSAR::ClassificationValidation_map">
88 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,221,24"/>88 <area·href="../../de/d8c/a06114.html"·alt="BALL::QSAR::Validation"·shape="rect"·coords="0,0,221,24"/>
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159 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>159 <tr·class="separator:ac34cbc0c32fd360aa2d718d5c400129a·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
160 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"·id="r_acb39d3a5d33ea90657412bde99a8335c"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>160 <tr·class="memitem:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"·id="r_acb39d3a5d33ea90657412bde99a8335c"><td·class="memItemLeft"·align="right"·valign="top">Eigen::MatrixXd&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#acb39d3a5d33ea90657412bde99a8335c">yRand_results_</a></td></tr>
161 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>161 <tr·class="separator:acb39d3a5d33ea90657412bde99a8335c·inherit·pro_attribs_a06114"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
162 </table>162 </table>
163 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>163 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
164 <div·class="textblock"><p>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>164 <div·class="textblock"><p>class·for·validation·of·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·regression·models·</p>
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">classificationValidation.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d65/a00458_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../da/d65/a00458_source.html">classificationValidation.h</a>.</p>
166 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>166 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
167 <a·id="a090fbc927e98de6987a6ea381516b497"·name="a090fbc927e98de6987a6ea381516b497"></a>167 <a·id="a090fbc927e98de6987a6ea381516b497"·name="a090fbc927e98de6987a6ea381516b497"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a090fbc927e98de6987a6ea381516b497">&#9670;&#160;</a></span>ClassificationValidation()</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a090fbc927e98de6987a6ea381516b497">&#9670;&#160;</a></span>ClassificationValidation()</h2>
  
169 <div·class="memitem">169 <div·class="memitem">
170 <div·class="memproto">170 <div·class="memproto">
171 ······<table·class="memname">171 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/d13/a04739.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d13/a04739.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SpHybridizedPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SpHybridizedPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SpHybridizedPredicate:</div>84 Inheritance·diagram·for·BALL::SpHybridizedPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/dc9/a04742.png"·usemap="#BALL::SpHybridizedPredicate_map"·alt=""/>87 ··<img·src="../../d4/dc9/a04742.png"·usemap="#BALL::SpHybridizedPredicate_map"·alt=""/>
88 ··<map·id="BALL::SpHybridizedPredicate_map"·name="BALL::SpHybridizedPredicate_map">88 ··<map·id="BALL::SpHybridizedPredicate_map"·name="BALL::SpHybridizedPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·sp·hybridized·atoms.·</p>131 <div·class="textblock"><p>Predicate·indicating·sp·hybridized·atoms.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00729">729</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00729">729</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="abb1a2c0c8115bf6b8fdab34fb759aeae"·name="abb1a2c0c8115bf6b8fdab34fb759aeae"></a>134 <a·id="abb1a2c0c8115bf6b8fdab34fb759aeae"·name="abb1a2c0c8115bf6b8fdab34fb759aeae"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#abb1a2c0c8115bf6b8fdab34fb759aeae">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#abb1a2c0c8115bf6b8fdab34fb759aeae">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d7f/a03367.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d7f/a03367.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TextPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TextPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d78/a01427_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TextPersistenceManager:</div>83 Inheritance·diagram·for·BALL::TextPersistenceManager:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d4/dcb/a03370.png"·usemap="#BALL::TextPersistenceManager_map"·alt=""/>86 ··<img·src="../../d4/dcb/a03370.png"·usemap="#BALL::TextPersistenceManager_map"·alt=""/>
87 ··<map·id="BALL::TextPersistenceManager_map"·name="BALL::TextPersistenceManager_map">87 ··<map·id="BALL::TextPersistenceManager_map"·name="BALL::TextPersistenceManager_map">
88 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,189,24"/>88 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,189,24"/>
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336 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>336 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
337 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"·id="r_aef2716c6cb98eec44713fbf7f5052e31"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>337 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"·id="r_aef2716c6cb98eec44713fbf7f5052e31"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>
338 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>338 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
339 </table>339 </table>
340 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>340 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
341 <div·class="textblock"><p>Text-format-based·persistence·manager.·This·class·implements·a·persistnece·manager·that·reads·and·writes·its·objects·in·a·human-readable·text·format.·This·is·slow·and·objects·get·<b>·huge·</b>,·but·the·format·is·clear·and·comprehensible·-·the·ideal·format·to·debug·persistence-related·programs.·For·production·use,·the·<a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·is·preferred.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·</dd></dl>341 <div·class="textblock"><p>Text-format-based·persistence·manager.·This·class·implements·a·persistnece·manager·that·reads·and·writes·its·objects·in·a·human-readable·text·format.·This·is·slow·and·objects·get·<b>·huge·</b>,·but·the·format·is·clear·and·comprehensible·-·the·ideal·format·to·debug·persistence-related·programs.·For·production·use,·the·<a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·is·preferred.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../db/d7d/a03386.html">XDRPersistenceManager</a>·</dd></dl>
  
342 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d78/a01427_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../db/d78/a01427_source.html">textPersistenceManager.h</a>.</p>342 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">textPersistenceManager.h</a>.</p>
343 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>343 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
344 <a·id="a79de6665ff6e93d8c89dbb6fefaa4de0"·name="a79de6665ff6e93d8c89dbb6fefaa4de0"></a>344 <a·id="a79de6665ff6e93d8c89dbb6fefaa4de0"·name="a79de6665ff6e93d8c89dbb6fefaa4de0"></a>
345 <h2·class="memtitle"><span·class="permalink"><a·href="#a79de6665ff6e93d8c89dbb6fefaa4de0">&#9670;&#160;</a></span>TextPersistenceManager()·<span·class="overload">[1/4]</span></h2>345 <h2·class="memtitle"><span·class="permalink"><a·href="#a79de6665ff6e93d8c89dbb6fefaa4de0">&#9670;&#160;</a></span>TextPersistenceManager()·<span·class="overload">[1/4]</span></h2>
  
346 <div·class="memitem">346 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d6/dac/a04339.html">List·of·all·members</a>··</div>78 <a·href="../../d6/dac/a04339.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG::PartnerAtom·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG::PartnerAtom·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a6f61b2562c709b8fcffa20a6f52cd89a"·id="r_a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a6f61b2562c709b8fcffa20a6f52cd89a">atom_name</a></td></tr>86 <tr·class="memitem:a6f61b2562c709b8fcffa20a6f52cd89a"·id="r_a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a6f61b2562c709b8fcffa20a6f52cd89a">atom_name</a></td></tr>
87 <tr·class="separator:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a6f61b2562c709b8fcffa20a6f52cd89a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a94bf51f17428f6514e706829c23c21e7"·id="r_a94bf51f17428f6514e706829c23c21e7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a94bf51f17428f6514e706829c23c21e7">alternate_location_indicator</a></td></tr>88 <tr·class="memitem:a94bf51f17428f6514e706829c23c21e7"·id="r_a94bf51f17428f6514e706829c23c21e7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#a94bf51f17428f6514e706829c23c21e7">alternate_location_indicator</a></td></tr>
89 <tr·class="separator:a94bf51f17428f6514e706829c23c21e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a94bf51f17428f6514e706829c23c21e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad9fa47d9977bdfb31ee22226f01b3bb8"·id="r_ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#ad9fa47d9977bdfb31ee22226f01b3bb8">residue</a></td></tr>90 <tr·class="memitem:ad9fa47d9977bdfb31ee22226f01b3bb8"·id="r_ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a04342.html#ad9fa47d9977bdfb31ee22226f01b3bb8">residue</a></td></tr>
91 <tr·class="separator:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ad9fa47d9977bdfb31ee22226f01b3bb8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01095">1095</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01095">1095</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a94bf51f17428f6514e706829c23c21e7"·name="a94bf51f17428f6514e706829c23c21e7"></a>97 <a·id="a94bf51f17428f6514e706829c23c21e7"·name="a94bf51f17428f6514e706829c23c21e7"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a94bf51f17428f6514e706829c23c21e7">&#9670;&#160;</a></span>alternate_location_indicator</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a94bf51f17428f6514e706829c23c21e7">&#9670;&#160;</a></span>alternate_location_indicator</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::alternate_location_indicator</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::alternate_location_indicator</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01098">1098</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01098">1098</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a6f61b2562c709b8fcffa20a6f52cd89a"·name="a6f61b2562c709b8fcffa20a6f52cd89a"></a>110 <a·id="a6f61b2562c709b8fcffa20a6f52cd89a"·name="a6f61b2562c709b8fcffa20a6f52cd89a"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f61b2562c709b8fcffa20a6f52cd89a">&#9670;&#160;</a></span>atom_name</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f61b2562c709b8fcffa20a6f52cd89a">&#9670;&#160;</a></span>atom_name</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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120 ········<tr>120 ········<tr>
121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::atom_name</td>121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::atom_name</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01097">1097</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01097">1097</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ad9fa47d9977bdfb31ee22226f01b3bb8"·name="ad9fa47d9977bdfb31ee22226f01b3bb8"></a>128 <a·id="ad9fa47d9977bdfb31ee22226f01b3bb8"·name="ad9fa47d9977bdfb31ee22226f01b3bb8"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9fa47d9977bdfb31ee22226f01b3bb8">&#9670;&#160;</a></span>residue</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9fa47d9977bdfb31ee22226f01b3bb8">&#9670;&#160;</a></span>residue</h2>
  
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136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::residue</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordSLTBRG::PartnerAtom::residue</td>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../d4/dd1/a01334_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d4/dd1/a01334_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d4/dd3/a00428_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d4/dd3/a00428_source.html">Go·to·the·source·code·of·this·file.</a></p>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">trajectoryFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">editSingleShortcut.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;BALL/VIEW/UIC/ui_editSingleShortcut.h&gt;</code><br·/>
 85 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d4/dd5/a01244_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d4/dd5/a01244_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
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87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da0/a04446.html">BALL::TrajectoryFile</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html">BALL::VIEW::EditSingleShortcut</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>100 </table>
96 </div><!--·contents·-->101 </div><!--·contents·-->
97 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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101 </body>106 </body>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/dcc/a08151.html">List·of·all·members</a>··</div>78 <a·href="../../d4/dcc/a08151.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VIEWPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::VIEWPlugin·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a421ae944e496116db478f69b3936fd89"·id="r_a421ae944e496116db478f69b3936fd89"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a421ae944e496116db478f69b3936fd89">~VIEWPlugin</a>·()</td></tr>86 <tr·class="memitem:a421ae944e496116db478f69b3936fd89"·id="r_a421ae944e496116db478f69b3936fd89"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a421ae944e496116db478f69b3936fd89">~VIEWPlugin</a>·()</td></tr>
87 <tr·class="separator:a421ae944e496116db478f69b3936fd89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a421ae944e496116db478f69b3936fd89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:aa1480fc23604343a0b6467c2127b8dcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa1480fc23604343a0b6467c2127b8dcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="memitem:a696fbc7a229181a442503d626ac8fba4"·id="r_a696fbc7a229181a442503d626ac8fba4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d6/d80/a08150.html">ConfigDialog</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a696fbc7a229181a442503d626ac8fba4">getConfigDialog</a>·()=0</td></tr>95 <tr·class="memitem:a696fbc7a229181a442503d626ac8fba4"·id="r_a696fbc7a229181a442503d626ac8fba4"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d6/d80/a08150.html">ConfigDialog</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a696fbc7a229181a442503d626ac8fba4">getConfigDialog</a>·()=0</td></tr>
96 <tr·class="separator:a696fbc7a229181a442503d626ac8fba4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a696fbc7a229181a442503d626ac8fba4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a9c06e994483ba41a7fd5277ba0a80f59"·id="r_a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a9c06e994483ba41a7fd5277ba0a80f59">isActive</a>·()=0</td></tr>97 <tr·class="memitem:a9c06e994483ba41a7fd5277ba0a80f59"·id="r_a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html#a9c06e994483ba41a7fd5277ba0a80f59">isActive</a>·()=0</td></tr>
98 <tr·class="separator:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a9c06e994483ba41a7fd5277ba0a80f59"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">VIEWPlugin.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a421ae944e496116db478f69b3936fd89"·name="a421ae944e496116db478f69b3936fd89"></a>104 <a·id="a421ae944e496116db478f69b3936fd89"·name="a421ae944e496116db478f69b3936fd89"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a421ae944e496116db478f69b3936fd89">&#9670;&#160;</a></span>~VIEWPlugin()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a421ae944e496116db478f69b3936fd89">&#9670;&#160;</a></span>~VIEWPlugin()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <table·class="mlabels">108 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df1/a00662_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/df1/a00662_source.html">VIEWPlugin.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">VIEWPlugin.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Function·Documentation</h2>129 <h2·class="groupheader">Member·Function·Documentation</h2>
130 <a·id="a696fbc7a229181a442503d626ac8fba4"·name="a696fbc7a229181a442503d626ac8fba4"></a>130 <a·id="a696fbc7a229181a442503d626ac8fba4"·name="a696fbc7a229181a442503d626ac8fba4"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a696fbc7a229181a442503d626ac8fba4">&#9670;&#160;</a></span>getConfigDialog()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a696fbc7a229181a442503d626ac8fba4">&#9670;&#160;</a></span>getConfigDialog()</h2>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../da/d94/a07483.html">List·of·all·members</a>··</div>79 <a·href="../../da/d94/a07483.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGrid·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGrid·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ae0bf87570ff59387b96acec3a0ca7ea2"·id="r_ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#ae0bf87570ff59387b96acec3a0ca7ea2">RaytraceableGrid</a>·()</td></tr>87 <tr·class="memitem:ae0bf87570ff59387b96acec3a0ca7ea2"·id="r_ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#ae0bf87570ff59387b96acec3a0ca7ea2">RaytraceableGrid</a>·()</td></tr>
88 <tr·class="separator:ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ae0bf87570ff59387b96acec3a0ca7ea2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:acfeca7e9bc2198c796d05ef6ac53d3f1"·id="r_acfeca7e9bc2198c796d05ef6ac53d3f1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#acfeca7e9bc2198c796d05ef6ac53d3f1">RaytraceableGrid</a>·(<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*grid)</td></tr>89 <tr·class="memitem:acfeca7e9bc2198c796d05ef6ac53d3f1"·id="r_acfeca7e9bc2198c796d05ef6ac53d3f1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#acfeca7e9bc2198c796d05ef6ac53d3f1">RaytraceableGrid</a>·(<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*grid)</td></tr>
90 <tr·class="separator:acfeca7e9bc2198c796d05ef6ac53d3f1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:acfeca7e9bc2198c796d05ef6ac53d3f1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
102 Protected·Attributes</h2></td></tr>102 Protected·Attributes</h2></td></tr>
103 <tr·class="memitem:a4e48bad7f2900a8c5ca0ac96b278db8f"·id="r_a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#a4e48bad7f2900a8c5ca0ac96b278db8f">grid_</a></td></tr>103 <tr·class="memitem:a4e48bad7f2900a8c5ca0ac96b278db8f"·id="r_a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd9/a07486.html#a4e48bad7f2900a8c5ca0ac96b278db8f">grid_</a></td></tr>
104 <tr·class="separator:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a4e48bad7f2900a8c5ca0ac96b278db8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock">107 <div·class="textblock">
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">raytraceableGrid.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="ae0bf87570ff59387b96acec3a0ca7ea2"·name="ae0bf87570ff59387b96acec3a0ca7ea2"></a>110 <a·id="ae0bf87570ff59387b96acec3a0ca7ea2"·name="ae0bf87570ff59387b96acec3a0ca7ea2"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0bf87570ff59387b96acec3a0ca7ea2">&#9670;&#160;</a></span>RaytraceableGrid()·<span·class="overload">[1/2]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0bf87570ff59387b96acec3a0ca7ea2">&#9670;&#160;</a></span>RaytraceableGrid()·<span·class="overload">[1/2]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 <table·class="mlabels">114 <table·class="mlabels">
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126 ··</td>126 ··</td>
127 ··<td·class="mlabels-right">127 ··<td·class="mlabels-right">
128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>128 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
129 ··</tr>129 ··</tr>
130 </table>130 </table>
131 </div><div·class="memdoc">131 </div><div·class="memdoc">
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">raytraceableGrid.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <a·id="acfeca7e9bc2198c796d05ef6ac53d3f1"·name="acfeca7e9bc2198c796d05ef6ac53d3f1"></a>135 <a·id="acfeca7e9bc2198c796d05ef6ac53d3f1"·name="acfeca7e9bc2198c796d05ef6ac53d3f1"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#acfeca7e9bc2198c796d05ef6ac53d3f1">&#9670;&#160;</a></span>RaytraceableGrid()·<span·class="overload">[2/2]</span></h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#acfeca7e9bc2198c796d05ef6ac53d3f1">&#9670;&#160;</a></span>RaytraceableGrid()·<span·class="overload">[2/2]</span></h2>
  
137 <div·class="memitem">137 <div·class="memitem">
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154 ··</td>154 ··</td>
155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">raytraceableGrid.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 <a·id="a69b180a3acbdb487614f88d7ec0e52ef"·name="a69b180a3acbdb487614f88d7ec0e52ef"></a>163 <a·id="a69b180a3acbdb487614f88d7ec0e52ef"·name="a69b180a3acbdb487614f88d7ec0e52ef"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b180a3acbdb487614f88d7ec0e52ef">&#9670;&#160;</a></span>~RaytraceableGrid()</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a69b180a3acbdb487614f88d7ec0e52ef">&#9670;&#160;</a></span>~RaytraceableGrid()</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
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181 ··</td>181 ··</td>
182 ··<td·class="mlabels-right">182 ··<td·class="mlabels-right">
183 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>183 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
184 ··</tr>184 ··</tr>
185 </table>185 </table>
186 </div><div·class="memdoc">186 </div><div·class="memdoc">
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">raytraceableGrid.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
188 </div>188 </div>
189 </div>189 </div>
190 <h2·class="groupheader">Member·Function·Documentation</h2>190 <h2·class="groupheader">Member·Function·Documentation</h2>
191 <a·id="a134d8f4e9a3c03e267824cbf2dc82baf"·name="a134d8f4e9a3c03e267824cbf2dc82baf"></a>191 <a·id="a134d8f4e9a3c03e267824cbf2dc82baf"·name="a134d8f4e9a3c03e267824cbf2dc82baf"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a134d8f4e9a3c03e267824cbf2dc82baf">&#9670;&#160;</a></span>binaryWrite()</h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a134d8f4e9a3c03e267824cbf2dc82baf">&#9670;&#160;</a></span>binaryWrite()</h2>
  
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265 ··</td>265 ··</td>
266 ··<td·class="mlabels-right">266 ··<td·class="mlabels-right">
267 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>267 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
268 ··</tr>268 ··</tr>
269 </table>269 </table>
270 </div><div·class="memdoc">270 </div><div·class="memdoc">
  
271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">raytraceableGrid.h</a>.</p>271 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">raytraceableGrid.h</a>.</p>
  
272 </div>272 </div>
273 </div>273 </div>
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276 <hr·class="footer"/><address·class="footer"><small>276 <hr·class="footer"/><address·class="footer"><small>
277 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8277 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·partialChargeBase.h·File·Reference</title>8 <title>BALL:·GAMESSLogFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">partialChargeBase.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">GAMESSLogFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;BALL/STRUCTURE/QMBasisSet.h&gt;</code><br·/>
 83 <code>#include·&lt;BALL/STRUCTURE/splitValenceSet.h&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../d4/ddc/a00917_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/ddc/a00917_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>88 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d7a/a03902.html">BALL::GAMESSLogFile</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html">BALL::GAMESSLogFile::State</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-slots">Protected·Slots</a>·&#124;79 <a·href="#pro-slots">Protected·Slots</a>·&#124;
80 <a·href="../../df/dcb/a07559.html">List·of·all·members</a>··</div>80 <a·href="../../df/dcb/a07559.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ContourSurfaceDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ContourSurfaceDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/VIEW/DIALOGS/contourSurfaceDialog.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/VIEW/DIALOGS/contourSurfaceDialog.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::ContourSurfaceDialog:</div>86 Inheritance·diagram·for·BALL::VIEW::ContourSurfaceDialog:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d4/de0/a07562.png"·usemap="#BALL::VIEW::ContourSurfaceDialog_map"·alt=""/>89 ··<img·src="../../d4/de0/a07562.png"·usemap="#BALL::VIEW::ContourSurfaceDialog_map"·alt=""/>
90 ··<map·id="BALL::VIEW::ContourSurfaceDialog_map"·name="BALL::VIEW::ContourSurfaceDialog_map">90 ··<map·id="BALL::VIEW::ContourSurfaceDialog_map"·name="BALL::VIEW::ContourSurfaceDialog_map">
91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,212,24"/>91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,212,24"/>
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121 <tr·class="separator:a4545a5211f8637b53c83cc8ea0f3aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a4545a5211f8637b53c83cc8ea0f3aff1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 <tr·class="memitem:a829dd347801e27f7b37323e4c14c6083"·id="r_a829dd347801e27f7b37323e4c14c6083"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de0/a07562.html#a829dd347801e27f7b37323e4c14c6083">chooseColor</a>·()</td></tr>122 <tr·class="memitem:a829dd347801e27f7b37323e4c14c6083"·id="r_a829dd347801e27f7b37323e4c14c6083"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de0/a07562.html#a829dd347801e27f7b37323e4c14c6083">chooseColor</a>·()</td></tr>
123 <tr·class="separator:a829dd347801e27f7b37323e4c14c6083"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a829dd347801e27f7b37323e4c14c6083"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p>Dialog·for·creating·contour·surfaces·from·RegularData3D·</p>126 <div·class="textblock"><p>Dialog·for·creating·contour·surfaces·from·RegularData3D·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dae/a00563_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../dc/dae/a00563_source.html">contourSurfaceDialog.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">contourSurfaceDialog.h</a>.</p>
128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>128 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
129 <a·id="ae311362cd30d7b0a141b39e2590f68aa"·name="ae311362cd30d7b0a141b39e2590f68aa"></a>129 <a·id="ae311362cd30d7b0a141b39e2590f68aa"·name="ae311362cd30d7b0a141b39e2590f68aa"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#ae311362cd30d7b0a141b39e2590f68aa">&#9670;&#160;</a></span>ContourSurfaceDialog()</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#ae311362cd30d7b0a141b39e2590f68aa">&#9670;&#160;</a></span>ContourSurfaceDialog()</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
132 <div·class="memproto">132 <div·class="memproto">
133 ······<table·class="memname">133 ······<table·class="memname">
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>296 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
297 ··</tr>297 ··</tr>
298 </table>298 </table>
299 </div><div·class="memdoc">299 </div><div·class="memdoc">
  
300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dae/a00563_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/dae/a00563_source.html">contourSurfaceDialog.h</a>.</p>300 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01301_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d3/d07/a01301_source.html">contourSurfaceDialog.h</a>.</p>
  
301 </div>301 </div>
302 </div>302 </div>
303 <a·id="a45dee7dbc0f43ec37cab52fd3b2c8795"·name="a45dee7dbc0f43ec37cab52fd3b2c8795"></a>303 <a·id="a45dee7dbc0f43ec37cab52fd3b2c8795"·name="a45dee7dbc0f43ec37cab52fd3b2c8795"></a>
304 <h2·class="memtitle"><span·class="permalink"><a·href="#a45dee7dbc0f43ec37cab52fd3b2c8795">&#9670;&#160;</a></span>setGrid()</h2>304 <h2·class="memtitle"><span·class="permalink"><a·href="#a45dee7dbc0f43ec37cab52fd3b2c8795">&#9670;&#160;</a></span>setGrid()</h2>
  
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d6/d39/a05439.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d39/a05439.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ResidueTorsions·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ResidueTorsions·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ResidueTorsions:</div>84 Inheritance·diagram·for·BALL::ResidueTorsions:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/de2/a05442.png"·usemap="#BALL::ResidueTorsions_map"·alt=""/>87 ··<img·src="../../d4/de2/a05442.png"·usemap="#BALL::ResidueTorsions_map"·alt=""/>
88 ··<map·id="BALL::ResidueTorsions_map"·name="BALL::ResidueTorsions_map">88 ··<map·id="BALL::ResidueTorsions_map"·name="BALL::ResidueTorsions_map">
89 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>89 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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188 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>188 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
189 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>189 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
190 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>190 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
191 </table>191 </table>
192 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>192 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
193 <div·class="textblock"><p>Parameter·class·containing·all·proper·torsions·occuring·in·a·residue.·Several·force·fields·(e.g.·CHARMM)·do·not·necessarily·consider·or·parametrize·all·occurring·torsions·but·explicitly·list·the·torsions·for·each·residue.·This·parameter·section·is·used·to·represent·this·list.·The·class·AMBER·and·CHARMM·torsions·components·check·for·the·presence·of·the·parameter·section·[<a·class="el"·href="../../d4/de2/a05442.html">ResidueTorsions</a>]·and·then·decide·whether·they·have·to·generate·the·torsions·by·itself·(creating·all·torsions·and·complaining·about·missing·parameters)·or·whether·they·have·to·read·them·from·this·section.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>193 <div·class="textblock"><p>Parameter·class·containing·all·proper·torsions·occuring·in·a·residue.·Several·force·fields·(e.g.·CHARMM)·do·not·necessarily·consider·or·parametrize·all·occurring·torsions·but·explicitly·list·the·torsions·for·each·residue.·This·parameter·section·is·used·to·represent·this·list.·The·class·AMBER·and·CHARMM·torsions·components·check·for·the·presence·of·the·parameter·section·[<a·class="el"·href="../../d4/de2/a05442.html">ResidueTorsions</a>]·and·then·decide·whether·they·have·to·generate·the·torsions·by·itself·(creating·all·torsions·and·complaining·about·missing·parameters)·or·whether·they·have·to·read·them·from·this·section.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">residueTorsions.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>195 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
196 <a·id="a3cfa4c3d4d835c44e71a080f32a5cc23"·name="a3cfa4c3d4d835c44e71a080f32a5cc23"></a>196 <a·id="a3cfa4c3d4d835c44e71a080f32a5cc23"·name="a3cfa4c3d4d835c44e71a080f32a5cc23"></a>
197 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4c3d4d835c44e71a080f32a5cc23">&#9670;&#160;</a></span>ResidueTorsions()</h2>197 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4c3d4d835c44e71a080f32a5cc23">&#9670;&#160;</a></span>ResidueTorsions()</h2>
  
198 <div·class="memitem">198 <div·class="memitem">
199 <div·class="memproto">199 <div·class="memproto">
200 ······<table·class="memname">200 ······<table·class="memname">
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467 ··</td>467 ··</td>
468 ··<td·class="mlabels-right">468 ··<td·class="mlabels-right">
469 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>469 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
470 ··</tr>470 ··</tr>
471 </table>471 </table>
472 </div><div·class="memdoc">472 </div><div·class="memdoc">
  
473 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">residueTorsions.h</a>.</p>473 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
  
474 </div>474 </div>
475 </div>475 </div>
476 <a·id="a19f11a2fbddfa25c3b36faf789ab1d83"·name="a19f11a2fbddfa25c3b36faf789ab1d83"></a>476 <a·id="a19f11a2fbddfa25c3b36faf789ab1d83"·name="a19f11a2fbddfa25c3b36faf789ab1d83"></a>
477 <h2·class="memtitle"><span·class="permalink"><a·href="#a19f11a2fbddfa25c3b36faf789ab1d83">&#9670;&#160;</a></span>torsions_</h2>477 <h2·class="memtitle"><span·class="permalink"><a·href="#a19f11a2fbddfa25c3b36faf789ab1d83">&#9670;&#160;</a></span>torsions_</h2>
  
478 <div·class="memitem">478 <div·class="memitem">
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491 ··</td>491 ··</td>
492 ··<td·class="mlabels-right">492 ··<td·class="mlabels-right">
493 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>493 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
494 ··</tr>494 ··</tr>
495 </table>495 </table>
496 </div><div·class="memdoc">496 </div><div·class="memdoc">
  
497 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d41/a01661_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d4/d41/a01661_source.html">residueTorsions.h</a>.</p>497 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d7d/a00161_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d6/d7d/a00161_source.html">residueTorsions.h</a>.</p>
  
498 </div>498 </div>
499 </div>499 </div>
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502 <hr·class="footer"/><address·class="footer"><small>502 <hr·class="footer"/><address·class="footer"><small>
503 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8503 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../da/de7/a04983.html">List·of·all·members</a>··</div>79 <a·href="../../da/de7/a04983.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::GAFFCESParser::CESwildcardsPredicate:</div>85 Inheritance·diagram·for·BALL::GAFFCESParser::CESwildcardsPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/de5/a04986.png"·usemap="#BALL::GAFFCESParser::CESwildcardsPredicate_map"·alt=""/>88 ··<img·src="../../d4/de5/a04986.png"·usemap="#BALL::GAFFCESParser::CESwildcardsPredicate_map"·alt=""/>
89 ··<map·id="BALL::GAFFCESParser::CESwildcardsPredicate_map"·name="BALL::GAFFCESParser::CESwildcardsPredicate_map">89 ··<map·id="BALL::GAFFCESParser::CESwildcardsPredicate_map"·name="BALL::GAFFCESParser::CESwildcardsPredicate_map">
90 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,285,24"/>90 <area·href="../../d3/d64/a04974.html"·alt="BALL::GAFFCESParser::CESPredicate"·shape="rect"·coords="0,0,285,24"/>
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170 <tr·class="separator:a8dd031d1d6e6954337202132cce4dc9e·inherit·pub_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:a8dd031d1d6e6954337202132cce4dc9e·inherit·pub_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock">173 <div·class="textblock">
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
176 <a·id="a5b0b2c3c40fddc18d62ebeade127ace3"·name="a5b0b2c3c40fddc18d62ebeade127ace3"></a>176 <a·id="a5b0b2c3c40fddc18d62ebeade127ace3"·name="a5b0b2c3c40fddc18d62ebeade127ace3"></a>
177 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b0b2c3c40fddc18d62ebeade127ace3">&#9670;&#160;</a></span>CESwildcardsPredicate()</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b0b2c3c40fddc18d62ebeade127ace3">&#9670;&#160;</a></span>CESwildcardsPredicate()</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
179 <div·class="memproto">179 <div·class="memproto">
180 <table·class="mlabels">180 <table·class="mlabels">
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193 ··</td>193 ··</td>
194 ··<td·class="mlabels-right">194 ··<td·class="mlabels-right">
195 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>195 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
196 ··</tr>196 ··</tr>
197 </table>197 </table>
198 </div><div·class="memdoc">198 </div><div·class="memdoc">
  
199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00236">236</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00236">236</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
200 </div>200 </div>
201 </div>201 </div>
202 <a·id="a11d949ebd6cb77e5a36701e6d445f608"·name="a11d949ebd6cb77e5a36701e6d445f608"></a>202 <a·id="a11d949ebd6cb77e5a36701e6d445f608"·name="a11d949ebd6cb77e5a36701e6d445f608"></a>
203 <h2·class="memtitle"><span·class="permalink"><a·href="#a11d949ebd6cb77e5a36701e6d445f608">&#9670;&#160;</a></span>~CESwildcardsPredicate()</h2>203 <h2·class="memtitle"><span·class="permalink"><a·href="#a11d949ebd6cb77e5a36701e6d445f608">&#9670;&#160;</a></span>~CESwildcardsPredicate()</h2>
  
204 <div·class="memitem">204 <div·class="memitem">
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317 ··</td>317 ··</td>
318 ··<td·class="mlabels-right">318 ··<td·class="mlabels-right">
319 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>319 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
320 ··</tr>320 ··</tr>
321 </table>321 </table>
322 </div><div·class="memdoc">322 </div><div·class="memdoc">
  
323 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>323 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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79 <a·href="#pro-slots">Protected·Slots</a>·&#124;79 <a·href="#pro-slots">Protected·Slots</a>·&#124;
80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="../../d8/d0e/a08483.html">List·of·all·members</a>··</div>81 <a·href="../../d8/d0e/a08483.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PDBInfoEditorWidget·Class·Reference</div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PDBInfoEditorWidget·Class·Reference</div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::PDBInfoEditorWidget:</div>87 Inheritance·diagram·for·BALL::VIEW::PDBInfoEditorWidget:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d4/de6/a08486.png"·usemap="#BALL::VIEW::PDBInfoEditorWidget_map"·alt=""/>90 ··<img·src="../../d4/de6/a08486.png"·usemap="#BALL::VIEW::PDBInfoEditorWidget_map"·alt=""/>
91 ··<map·id="BALL::VIEW::PDBInfoEditorWidget_map"·name="BALL::VIEW::PDBInfoEditorWidget_map">91 ··<map·id="BALL::VIEW::PDBInfoEditorWidget_map"·name="BALL::VIEW::PDBInfoEditorWidget_map">
92 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,203,80"/>92 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,203,80"/>
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145 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>145 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
146 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>146 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
147 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>147 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
148 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 </table>149 </table>
150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
151 <div·class="textblock">151 <div·class="textblock">
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00241">241</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00241">241</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
154 <a·id="ae44e3df1776d872ec689787e3d101411"·name="ae44e3df1776d872ec689787e3d101411"></a>154 <a·id="ae44e3df1776d872ec689787e3d101411"·name="ae44e3df1776d872ec689787e3d101411"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae44e3df1776d872ec689787e3d101411">&#9670;&#160;</a></span>PDBInfoEditorWidget()</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae44e3df1776d872ec689787e3d101411">&#9670;&#160;</a></span>PDBInfoEditorWidget()</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
157 <div·class="memproto">157 <div·class="memproto">
158 ······<table·class="memname">158 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/de7/a04643.html">List·of·all·members</a>··</div>78 <a·href="../../da/de7/a04643.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FalsePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FalsePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::FalsePredicate:</div>84 Inheritance·diagram·for·BALL::FalsePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/de8/a04646.png"·usemap="#BALL::FalsePredicate_map"·alt=""/>87 ··<img·src="../../d4/de8/a04646.png"·usemap="#BALL::FalsePredicate_map"·alt=""/>
88 ··<map·id="BALL::FalsePredicate_map"·name="BALL::FalsePredicate_map">88 ··<map·id="BALL::FalsePredicate_map"·name="BALL::FalsePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>False·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>false</b>.·</p>131 <div·class="textblock"><p>False·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>false</b>.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a5f960887a77bb82012c1f5bbbc5a76cb"·name="a5f960887a77bb82012c1f5bbbc5a76cb"></a>134 <a·id="a5f960887a77bb82012c1f5bbbc5a76cb"·name="a5f960887a77bb82012c1f5bbbc5a76cb"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f960887a77bb82012c1f5bbbc5a76cb">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f960887a77bb82012c1f5bbbc5a76cb">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="../../d7/d41/a05427.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d41/a05427.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::QuadraticImproperTorsion:</div>85 Inheritance·diagram·for·BALL::QuadraticImproperTorsion:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/de8/a05430.png"·usemap="#BALL::QuadraticImproperTorsion_map"·alt=""/>88 ··<img·src="../../d4/de8/a05430.png"·usemap="#BALL::QuadraticImproperTorsion_map"·alt=""/>
89 ··<map·id="BALL::QuadraticImproperTorsion_map"·name="BALL::QuadraticImproperTorsion_map">89 ··<map·id="BALL::QuadraticImproperTorsion_map"·name="BALL::QuadraticImproperTorsion_map">
90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,197,24"/>90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,197,24"/>
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207 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>207 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
208 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>208 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
209 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>209 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
210 </table>210 </table>
211 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>211 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
212 <div·class="textblock"><p><a·class="el"·href="../../d4/de8/a05430.html">QuadraticImproperTorsion</a>.·</p>212 <div·class="textblock"><p><a·class="el"·href="../../d4/de8/a05430.html">QuadraticImproperTorsion</a>.·</p>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
214 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>214 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
215 <a·id="a4cf043bddf6335c3d30572458ac061d4"·name="a4cf043bddf6335c3d30572458ac061d4"></a>215 <a·id="a4cf043bddf6335c3d30572458ac061d4"·name="a4cf043bddf6335c3d30572458ac061d4"></a>
216 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cf043bddf6335c3d30572458ac061d4">&#9670;&#160;</a></span>anonymous·enum</h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cf043bddf6335c3d30572458ac061d4">&#9670;&#160;</a></span>anonymous·enum</h2>
  
217 <div·class="memitem">217 <div·class="memitem">
218 <div·class="memproto">218 <div·class="memproto">
219 ······<table·class="memname">219 ······<table·class="memname">
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224 ········</tr>224 ········</tr>
225 ······</table>225 ······</table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
227 <table·class="fieldtable">227 <table·class="fieldtable">
228 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"·name="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>228 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"·name="a4cf043bddf6335c3d30572458ac061d4a711883f87b3665cc46e1c1c324019bd4"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
229 </table>229 </table>
  
230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>230 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
231 </div>231 </div>
232 </div>232 </div>
233 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>233 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
234 <a·id="a1419c2d3bdece8c4f7ef9205301b9b72"·name="a1419c2d3bdece8c4f7ef9205301b9b72"></a>234 <a·id="a1419c2d3bdece8c4f7ef9205301b9b72"·name="a1419c2d3bdece8c4f7ef9205301b9b72"></a>
235 <h2·class="memtitle"><span·class="permalink"><a·href="#a1419c2d3bdece8c4f7ef9205301b9b72">&#9670;&#160;</a></span>QuadraticImproperTorsion()·<span·class="overload">[1/2]</span></h2>235 <h2·class="memtitle"><span·class="permalink"><a·href="#a1419c2d3bdece8c4f7ef9205301b9b72">&#9670;&#160;</a></span>QuadraticImproperTorsion()·<span·class="overload">[1/2]</span></h2>
  
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612 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>612 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
613 </div>613 </div>
614 </div>614 </div>
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616 <h2·class="memtitle"><span·class="permalink"><a·href="#a057ac3feb75c8bcae324afda27467d2d">&#9670;&#160;</a></span>torsions_</h2>616 <h2·class="memtitle"><span·class="permalink"><a·href="#a057ac3feb75c8bcae324afda27467d2d">&#9670;&#160;</a></span>torsions_</h2>
  
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631 ··<td·class="mlabels-right">631 ··<td·class="mlabels-right">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../dc/d12/a04723.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d12/a04723.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::AromaticBondsPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::AromaticBondsPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::AromaticBondsPredicate:</div>85 Inheritance·diagram·for·BALL::AromaticBondsPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d4/dea/a04726.png"·usemap="#BALL::AromaticBondsPredicate_map"·alt=""/>88 ··<img·src="../../d4/dea/a04726.png"·usemap="#BALL::AromaticBondsPredicate_map"·alt=""/>
89 ··<map·id="BALL::AromaticBondsPredicate_map"·name="BALL::AromaticBondsPredicate_map">89 ··<map·id="BALL::AromaticBondsPredicate_map"·name="BALL::AromaticBondsPredicate_map">
90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·a·certain·number·of·aromatic·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·aromatic·bond·to·make·this·predicate's·operator·()·()·return·true.</p>137 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·a·certain·number·of·aromatic·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·The·default·is·"&gt;0"·which·means·that·the·atom·under·siege·has·to·bear·at·least·one·aromatic·bond·to·make·this·predicate's·operator·()·()·return·true.</p>
138 <p>A·bond·is·defined·as·aromatic·if·it·has·the·property·<a·class="el"·href="../../df/dd2/a04486.html#a540773792a75171b48b4257124cf626aa53fc04875f0dd9ac50d8b80e68577a27"·title="This·property·can·be·used·to·store·aromaticity·information·without·overwriting·bond·orders.">Bond::IS_AROMATIC</a>·set,·or·if·its·bond·order·equals·<a·class="el"·href="../../df/dd2/a04486.html#aefd4b65ec6f641f9208264223f7104aaa4a2f16aa4119c5937b89272f399efb2a"·title="Aromatic·bonds.">Bond::ORDER__AROMATIC</a>.·</p>138 <p>A·bond·is·defined·as·aromatic·if·it·has·the·property·<a·class="el"·href="../../df/dd2/a04486.html#a540773792a75171b48b4257124cf626aa53fc04875f0dd9ac50d8b80e68577a27"·title="This·property·can·be·used·to·store·aromaticity·information·without·overwriting·bond·orders.">Bond::IS_AROMATIC</a>·set,·or·if·its·bond·order·equals·<a·class="el"·href="../../df/dd2/a04486.html#aefd4b65ec6f641f9208264223f7104aaa4a2f16aa4119c5937b89272f399efb2a"·title="Aromatic·bonds.">Bond::ORDER__AROMATIC</a>.·</p>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00439">439</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
140 </div><h2·class="groupheader">Member·Function·Documentation</h2>140 </div><h2·class="groupheader">Member·Function·Documentation</h2>
141 <a·id="aa9844f3c515ecce92c1c95bdd8175de2"·name="aa9844f3c515ecce92c1c95bdd8175de2"></a>141 <a·id="aa9844f3c515ecce92c1c95bdd8175de2"·name="aa9844f3c515ecce92c1c95bdd8175de2"></a>
142 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9844f3c515ecce92c1c95bdd8175de2">&#9670;&#160;</a></span>operator()()</h2>142 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9844f3c515ecce92c1c95bdd8175de2">&#9670;&#160;</a></span>operator()()</h2>
  
143 <div·class="memitem">143 <div·class="memitem">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
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78 ··<div·class="headertitle"><div·class="title">timer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pair6_12InteractionEnergyProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;iostream&gt;</code><br·/> 
83 <code>#include·&quot;timer.iC&quot;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/>
84 </div>88 </div>
85 <p><a·href="../../d4/dec/a01952_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d4/dec/a01952_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">90 <table·class="memberdecls">
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 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df5/a06502.html">BALL::Pair6_12InteractionEnergyProcessor::Default</a></td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d8/dea/a04131.html">List·of·all·members</a>··</div>79 <a·href="../../d8/dea/a04131.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON06·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON06·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a58a9c62a3888eff8511f52774fb6b2cb"·id="r_a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a58a9c62a3888eff8511f52774fb6b2cb">clear</a>·()</td></tr>87 <tr·class="memitem:a58a9c62a3888eff8511f52774fb6b2cb"·id="r_a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a58a9c62a3888eff8511f52774fb6b2cb">clear</a>·()</td></tr>
88 <tr·class="separator:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a58a9c62a3888eff8511f52774fb6b2cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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97 <tr·class="memitem:a25337d064abc90de8a96156838286b2a"·id="r_a25337d064abc90de8a96156838286b2a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a25337d064abc90de8a96156838286b2a">atom_serial_number</a></td></tr>97 <tr·class="memitem:a25337d064abc90de8a96156838286b2a"·id="r_a25337d064abc90de8a96156838286b2a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#a25337d064abc90de8a96156838286b2a">atom_serial_number</a></td></tr>
98 <tr·class="separator:a25337d064abc90de8a96156838286b2a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a25337d064abc90de8a96156838286b2a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:ac1aba4e764730691e56ca639d69587b4"·id="r_ac1aba4e764730691e56ca639d69587b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#ac1aba4e764730691e56ca639d69587b4">bond_atom</a>·[4]</td></tr>99 <tr·class="memitem:ac1aba4e764730691e56ca639d69587b4"·id="r_ac1aba4e764730691e56ca639d69587b4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dec/a04134.html#ac1aba4e764730691e56ca639d69587b4">bond_atom</a>·[4]</td></tr>
100 <tr·class="separator:ac1aba4e764730691e56ca639d69587b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:ac1aba4e764730691e56ca639d69587b4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00481">481</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00481">481</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
105 </div><h2·class="groupheader">Member·Function·Documentation</h2>105 </div><h2·class="groupheader">Member·Function·Documentation</h2>
106 <a·id="a58a9c62a3888eff8511f52774fb6b2cb"·name="a58a9c62a3888eff8511f52774fb6b2cb"></a>106 <a·id="a58a9c62a3888eff8511f52774fb6b2cb"·name="a58a9c62a3888eff8511f52774fb6b2cb"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a58a9c62a3888eff8511f52774fb6b2cb">&#9670;&#160;</a></span>clear()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a58a9c62a3888eff8511f52774fb6b2cb">&#9670;&#160;</a></span>clear()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 <table·class="mlabels">110 <table·class="mlabels">
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122 ··</td>122 ··</td>
123 ··<td·class="mlabels-right">123 ··<td·class="mlabels-right">
124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
125 ··</tr>125 ··</tr>
126 </table>126 </table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00488">488</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00488">488</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <h2·class="groupheader">Member·Data·Documentation</h2>131 <h2·class="groupheader">Member·Data·Documentation</h2>
132 <a·id="a25337d064abc90de8a96156838286b2a"·name="a25337d064abc90de8a96156838286b2a"></a>132 <a·id="a25337d064abc90de8a96156838286b2a"·name="a25337d064abc90de8a96156838286b2a"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a25337d064abc90de8a96156838286b2a">&#9670;&#160;</a></span>atom_serial_number</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a25337d064abc90de8a96156838286b2a">&#9670;&#160;</a></span>atom_serial_number</h2>
  
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140 ········<tr>140 ········<tr>
141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::atom_serial_number</td>141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::atom_serial_number</td>
142 ········</tr>142 ········</tr>
143 ······</table>143 ······</table>
144 </div><div·class="memdoc">144 </div><div·class="memdoc">
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <a·id="ac1aba4e764730691e56ca639d69587b4"·name="ac1aba4e764730691e56ca639d69587b4"></a>148 <a·id="ac1aba4e764730691e56ca639d69587b4"·name="ac1aba4e764730691e56ca639d69587b4"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1aba4e764730691e56ca639d69587b4">&#9670;&#160;</a></span>bond_atom</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1aba4e764730691e56ca639d69587b4">&#9670;&#160;</a></span>bond_atom</h2>
  
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156 ········<tr>156 ········<tr>
157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::bond_atom[4]</td>157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON06::bond_atom[4]</td>
158 ········</tr>158 ········</tr>
159 ······</table>159 ······</table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
164 <a·id="aec99e16a2a171fac8dc690e64f0be7f3"·name="aec99e16a2a171fac8dc690e64f0be7f3"></a>164 <a·id="aec99e16a2a171fac8dc690e64f0be7f3"·name="aec99e16a2a171fac8dc690e64f0be7f3"></a>
165 <h2·class="memtitle"><span·class="permalink"><a·href="#aec99e16a2a171fac8dc690e64f0be7f3">&#9670;&#160;</a></span>record_name</h2>165 <h2·class="memtitle"><span·class="permalink"><a·href="#aec99e16a2a171fac8dc690e64f0be7f3">&#9670;&#160;</a></span>record_name</h2>
  
166 <div·class="memitem">166 <div·class="memitem">
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171 ······<table·class="memname">171 ······<table·class="memname">
172 ········<tr>172 ········<tr>
173 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON06::record_name</td>173 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCON06::record_name</td>
174 ········</tr>174 ········</tr>
175 ······</table>175 ······</table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00484">484</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00484">484</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
180 <a·id="a86e521840d655881bcf74bc7078ca8d0"·name="a86e521840d655881bcf74bc7078ca8d0"></a>180 <a·id="a86e521840d655881bcf74bc7078ca8d0"·name="a86e521840d655881bcf74bc7078ca8d0"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#a86e521840d655881bcf74bc7078ca8d0">&#9670;&#160;</a></span>record_type</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a86e521840d655881bcf74bc7078ca8d0">&#9670;&#160;</a></span>record_type</h2>
  
182 <div·class="memitem">182 <div·class="memitem">
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188 ········<tr>188 ········<tr>
189 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON06::record_type</td>189 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON06::record_type</td>
190 ········</tr>190 ········</tr>
191 ······</table>191 ······</table>
192 </div><div·class="memdoc">192 </div><div·class="memdoc">
  
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00483">483</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00483">483</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
194 </div>194 </div>
195 </div>195 </div>
196 </div><!--·contents·-->196 </div><!--·contents·-->
197 <!--·start·footer·part·-->197 <!--·start·footer·part·-->
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199 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8199 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·maths.h·File·Reference</title>8 <title>BALL:·kernel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="headertitle"><div·class="title">maths.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>
76 </div><!--header-->76 </div><!--header-->
77 <div·class="contents">77 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/MATHS/analyticalGeometry.h</a>&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/>80 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>81 <code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/KERNEL/global.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d0/d3e/a00566_source.html">BALL/KERNEL/nucleicAcid.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d6/d06/a00572_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>90 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00578_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/>
 94 <code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00494_source.html">BALL/KERNEL/selector.h</a>&gt;</code><br·/>
 95 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
83 </div>96 </div>
84 <p><a·href="../../d4/dee/a00008_source.html">Go·to·the·source·code·of·this·file.</a></p>97 <p><a·href="../../d4/dee/a00008_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 </div><!--·contents·-->98 </div><!--·contents·-->
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65 </div>65 </div>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">propertyEditor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">connectivityBase.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/QSAR/descriptor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_propertyEditor.h&gt;</code><br·/> 
84 <code>#include·&lt;BALL/VIEW/UIC/ui_propEditorWidget.h&gt;</code><br·/> 
85 <code>#include·&lt;BALL/VIEW/UIC/ui_editorPDBInfoDialog.h&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d2/d68/a01295_source.html">BALL/FORMAT/PDBInfo.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
88 </div>83 </div>
89 <p><a·href="../../d4/def/a00359_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d4/def/a00359_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">85 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html">BALL::VIEW::PropEditorWidget</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d96/a05654.html">BALL::ConnectivityBase</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da3/a08458.html">BALL::VIEW::BoolEditorWidget</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dea/a08462.html">BALL::VIEW::IntEditorWidget</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d06/a08466.html">BALL::VIEW::UIntEditorWidget</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d62/a08470.html">BALL::VIEW::FloatEditorWidget</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d06/a08474.html">BALL::VIEW::DoubleEditorWidget</a></td></tr> 
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d29/a08478.html">BALL::VIEW::StringEditorWidget</a></td></tr> 
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107 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dcb/a08482.html">BALL::VIEW::PropDeleteWidget</a></td></tr> 
108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
109 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/de6/a08486.html">BALL::VIEW::PDBInfoEditorWidget</a></td></tr> 
110 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
111 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a08494.html">BALL::VIEW::PropertyEditor</a></td></tr> 
112 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
114 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
115 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
116 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
117 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
119 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
120 </table>95 </table>
121 </div><!--·contents·-->96 </div><!--·contents·-->
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123 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/df8/a08263.html">List·of·all·members</a>··</div>78 <a·href="../../dc/df8/a08263.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLRenderer::WrongModes·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLRenderer::WrongModes·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbc/a01451_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::GLRenderer::WrongModes:</div>84 Inheritance·diagram·for·BALL::VIEW::GLRenderer::WrongModes:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/df2/a08266.png"·usemap="#BALL::VIEW::GLRenderer::WrongModes_map"·alt=""/>87 ··<img·src="../../d4/df2/a08266.png"·usemap="#BALL::VIEW::GLRenderer::WrongModes_map"·alt=""/>
88 ··<map·id="BALL::VIEW::GLRenderer::WrongModes_map"·name="BALL::VIEW::GLRenderer::WrongModes_map">88 ··<map·id="BALL::VIEW::GLRenderer::WrongModes_map"·name="BALL::VIEW::GLRenderer::WrongModes_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,236,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,236,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d4/df2/a08266.html">WrongModes</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·the·<b>·drawing_precision_</b>·or·<b>·drawing_mode_</b>·are·not·allowed.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·</dd></dl>143 <div·class="textblock"><p><a·class="el"·href="../../d4/df2/a08266.html">WrongModes</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·the·<b>·drawing_precision_</b>·or·<b>·drawing_mode_</b>·are·not·allowed.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·</dd></dl>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">glRenderer.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbc/a01451_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d3/dbc/a01451_source.html">glRenderer.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a08c1b92bcda98c679d4b82c18fddba5c"·name="a08c1b92bcda98c679d4b82c18fddba5c"></a>146 <a·id="a08c1b92bcda98c679d4b82c18fddba5c"·name="a08c1b92bcda98c679d4b82c18fddba5c"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a08c1b92bcda98c679d4b82c18fddba5c">&#9670;&#160;</a></span>WrongModes()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a08c1b92bcda98c679d4b82c18fddba5c">&#9670;&#160;</a></span>WrongModes()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/dec/a03063.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dec/a03063.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidArgument·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidArgument·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::InvalidArgument:</div>84 Inheritance·diagram·for·BALL::Exception::InvalidArgument:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d4/df3/a03066.png"·usemap="#BALL::Exception::InvalidArgument_map"·alt=""/>87 ··<img·src="../../d4/df3/a03066.png"·usemap="#BALL::Exception::InvalidArgument_map"·alt=""/>
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Invalid·Argument·Use·this·exception·when·a·function·is·called·with·an·invalid·argument·and·no·other·exception·applies.·</p>143 <div·class="textblock"><p>Invalid·Argument·Use·this·exception·when·a·function·is·called·with·an·invalid·argument·and·no·other·exception·applies.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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71 ··<div·class="headertitle"><div·class="title">maths.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">timer.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;iostream&gt;</code><br·/>
 83 <code>#include·&quot;timer.iC&quot;</code><br·/>
 84 </div>
 85 <p><a·href="../../d4/dfa/a00746_source.html">Go·to·the·source·code·of·this·file.</a></p>
 86 <table·class="memberdecls">
 87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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76 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../dd/d16/a06179.html">List·of·all·members</a>··</div>79 <a·href="../../dd/d16/a06179.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::ScoringOptimizer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::ScoringOptimizer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/dbe/a02084_source.html">BALL/SCORING/COMMON/scoringOptimizer.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/da1/a01976_source.html">BALL/SCORING/COMMON/scoringOptimizer.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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101 <tr·class="memitem:aaa2ff3000374bc23abb815200467b382"·id="r_aaa2ff3000374bc23abb815200467b382"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/dc1/a06186.html">Result</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfc/a06182.html#aaa2ff3000374bc23abb815200467b382">getResult</a>·()</td></tr>101 <tr·class="memitem:aaa2ff3000374bc23abb815200467b382"·id="r_aaa2ff3000374bc23abb815200467b382"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/dc1/a06186.html">Result</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfc/a06182.html#aaa2ff3000374bc23abb815200467b382">getResult</a>·()</td></tr>
102 <tr·class="separator:aaa2ff3000374bc23abb815200467b382"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:aaa2ff3000374bc23abb815200467b382"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>Class·for·evaluating·and·optimizing·ScoringFunctions·on·a·given·set·of·receptor-ligand·complexes·whose·binding·free·energy·is·known·</p>105 <div·class="textblock"><p>Class·for·evaluating·and·optimizing·ScoringFunctions·on·a·given·set·of·receptor-ligand·complexes·whose·binding·free·energy·is·known·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dbe/a02084_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../da/dbe/a02084_source.html">scoringOptimizer.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/da1/a01976_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/da1/a01976_source.html">scoringOptimizer.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="ab55517709cac48083b387520bd5802d6"·name="ab55517709cac48083b387520bd5802d6"></a>108 <a·id="ab55517709cac48083b387520bd5802d6"·name="ab55517709cac48083b387520bd5802d6"></a>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">kekulizer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">PCMCavFreeEnergyProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 <code>#include·&lt;set&gt;</code><br·/> 
84 </div>84 </div>
85 <p><a·href="../../d4/dff/a01910_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d4/dff/a01910_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Molecule·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Molecule·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
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117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
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144 </div>144 </div>
145 </div>145 </div>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#a557efc0b3a79453830014e045c6b2233">&#9670;&#160;</a></span>operator()()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a557efc0b3a79453830014e045c6b2233">&#9670;&#160;</a></span>operator()()</h2>
  
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172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
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86 <p><a·href="../../d5/d0f/a00494_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/d0f/a00494_source.html">Go·to·the·source·code·of·this·file.</a></p>
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8 <title>BALL:·proteinIterator.h·File·Reference</title>8 <title>BALL:·persistentObject.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">proteinIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">persistentObject.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d5/d12/a00794_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/d12/a00794_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d76/a04606.html">BALL::ProteinIteratorTraits</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d6e/a03314.html">BALL::PersistentObject</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
99 Typedefs</h2></td></tr> 
100 <tr·class="memitem:a3469f880163699fe3be5aeaedc1d3c8c"·id="r_a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/d6e/a03226.html">BidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../df/dc0/a04602.html">Protein</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a3469f880163699fe3be5aeaedc1d3c8c">BALL::ProteinIterator</a></td></tr> 
101 <tr·class="separator:a3469f880163699fe3be5aeaedc1d3c8c"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:ab143f7a2afa3d04ef7b63ac052fb274e"·id="r_ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d5/d2f/a03222.html">ConstBidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../df/dc0/a04602.html">Protein</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab143f7a2afa3d04ef7b63ac052fb274e">BALL::ProteinConstIterator</a></td></tr> 
103 <tr·class="separator:ab143f7a2afa3d04ef7b63ac052fb274e"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:ac00623816dfa085a35e9047ce975701f"·id="r_ac00623816dfa085a35e9047ce975701f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#a3469f880163699fe3be5aeaedc1d3c8c">ProteinIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac00623816dfa085a35e9047ce975701f">BALL::ProteinReverseIterator</a></td></tr> 
105 <tr·class="separator:ac00623816dfa085a35e9047ce975701f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:a6f712bd4e626310fb0c4dff5bba511c7"·id="r_a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#ab143f7a2afa3d04ef7b63ac052fb274e">ProteinConstIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6f712bd4e626310fb0c4dff5bba511c7">BALL::ProteinConstReverseIterator</a></td></tr> 
107 <tr·class="separator:a6f712bd4e626310fb0c4dff5bba511c7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 </table>94 </table>
109 </div><!--·contents·-->95 </div><!--·contents·-->
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8 <title>BALL:·hybridisationProcessor.h·File·Reference</title>8 <title>BALL:·surfaceProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">hybridisationProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">surfaceProcessor.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>91 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>92 <code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
87 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;map&gt;</code><br·/> 
89 </div>93 </div>
90 <p><a·href="../../d5/d12/a01799_source.html">Go·to·the·source·code·of·this·file.</a></p>94 <p><a·href="../../d5/d12/a01799_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">95 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>97 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/deb/a06942.html">BALL::HybridisationProcessor</a></td></tr>98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d8a/a07290.html">BALL::SurfaceProcessor</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html">BALL::HybridisationProcessor::Option</a></td></tr> 
97 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··<a·href="../../d0/d21/a06946.html#details">More...</a><br·/></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html">BALL::HybridisationProcessor::Default</a></td></tr> 
100 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d7/d30/a06950.html#details">More...</a><br·/></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html">BALL::HybridisationProcessor::Method</a></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dce/a06958.html">BALL::HybridisationProcessor::Elements_</a></td></tr> 
105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcb/a06962.html">BALL::HybridisationProcessor::AtomNames_</a></td></tr> 
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table><table·class="memberdecls">100 </table><table·class="memberdecls">
109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
110 Namespaces</h2></td></tr>102 Namespaces</h2></td></tr>
111 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
112 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../dc/d1d/a06379.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d1d/a06379.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AmberEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AmberEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc4/a02042_source.html">BALL/SCORING/FUNCTIONS/amberEvaluation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d2d/a02018_source.html">BALL/SCORING/FUNCTIONS/amberEvaluation.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AmberEvaluation:</div>84 Inheritance·diagram·for·BALL::AmberEvaluation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/d19/a06382.png"·usemap="#BALL::AmberEvaluation_map"·alt=""/>87 ··<img·src="../../d5/d19/a06382.png"·usemap="#BALL::AmberEvaluation_map"·alt=""/>
88 ··<map·id="BALL::AmberEvaluation_map"·name="BALL::AmberEvaluation_map">88 ··<map·id="BALL::AmberEvaluation_map"·name="BALL::AmberEvaluation_map">
89 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>89 <area·href="../../d9/d71/a06390.html"·alt="BALL::ForceFieldEvaluation"·shape="rect"·coords="0,56,170,80"/>
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155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>155 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
156 <div·class="textblock"><p>A·class·for·energetic·evaluators·of·docking·results·using·an·AMBER·force·field·as·scoring·function.·</p>156 <div·class="textblock"><p>A·class·for·energetic·evaluators·of·docking·results·using·an·AMBER·force·field·as·scoring·function.·</p>
  
157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc4/a02042_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d1/dc4/a02042_source.html">amberEvaluation.h</a>.</p>157 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2d/a02018_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../da/d2d/a02018_source.html">amberEvaluation.h</a>.</p>
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80 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::NCSMatrix·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::NCSMatrix·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock">99 <div·class="textblock">
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01295">1295</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01295">1295</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a802cb69128a85a6f1ac30600c1d7390e"·name="a802cb69128a85a6f1ac30600c1d7390e"></a>102 <a·id="a802cb69128a85a6f1ac30600c1d7390e"·name="a802cb69128a85a6f1ac30600c1d7390e"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a802cb69128a85a6f1ac30600c1d7390e">&#9670;&#160;</a></span>NCSMatrix()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a802cb69128a85a6f1ac30600c1d7390e">&#9670;&#160;</a></span>NCSMatrix()</h2>
  
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135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01299">1299</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01299">1299</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 <h2·class="groupheader">Member·Data·Documentation</h2>138 <h2·class="groupheader">Member·Data·Documentation</h2>
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149 ········</tr>149 ········</tr>
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154 </div>154 </div>
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68 </div>68 </div>
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">vanDerWaals.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rescoring4D.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d51/a02000_source.html">BALL/SCORING/FUNCTIONS/rescoring3D.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../d5/d2c/a02012_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/d2c/a02012_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>86 Classes</h2></td></tr>
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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78 <a·href="../../d1/d64/a04675.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d64/a04675.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ChainPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ChainPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
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129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·chains.·Returns·<code>true</code>,·if·the·name·of·the·chain·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·expression.·</p>131 <div·class="textblock"><p>Predicate·for·matching·chains.·Returns·<code>true</code>,·if·the·name·of·the·chain·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·expression.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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135 <h2·class="memtitle"><span·class="permalink"><a·href="#ab607f0c28e975e78452007a9c6c2cd31">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#ab607f0c28e975e78452007a9c6c2cd31">&#9670;&#160;</a></span>operator()()</h2>
  
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78 <a·href="../../d5/d5e/a07183.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d5e/a07183.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SideChainPlacementProcessor::Method·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SideChainPlacementProcessor::Method·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/sideChainPlacementProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/STRUCTURE/sideChainPlacementProcessor.h</a>&gt;</code></p>
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87 <tr·class="separator:af06673f8ccd350d598e05b2975c7d063"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:af06673f8ccd350d598e05b2975c7d063"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">sideChainPlacementProcessor.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">sideChainPlacementProcessor.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="af06673f8ccd350d598e05b2975c7d063"·name="af06673f8ccd350d598e05b2975c7d063"></a>93 <a·id="af06673f8ccd350d598e05b2975c7d063"·name="af06673f8ccd350d598e05b2975c7d063"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#af06673f8ccd350d598e05b2975c7d063">&#9670;&#160;</a></span>SCWRL_4_0</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#af06673f8ccd350d598e05b2975c7d063">&#9670;&#160;</a></span>SCWRL_4_0</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
113 <p>SCWRL4·is·a·program·for·predicting·side-chain·conformations·for·a·given·protein·backbone.·</p>113 <p>SCWRL4·is·a·program·for·predicting·side-chain·conformations·for·a·given·protein·backbone.·</p>
  
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116 </div>116 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
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79 ··<div·class="headertitle"><div·class="title">directory.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">claverieParameter.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>
86 <code>#include·&lt;cstdio&gt;</code><br·/> 
87 <code>#include·&lt;BALL/SYSTEM/directory.iC&gt;</code><br·/> 
88 </div>84 </div>
89 <p><a·href="../../d5/d31/a01931_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/d31/a01931_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">86 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
92 Classes</h2></td></tr>88 Classes</h2></td></tr>
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d33/a07342.html">BALL::Directory</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df6/a06462.html">BALL::ClaverieParameter</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls"> 
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
102 Macros</h2></td></tr> 
103 <tr·class="memitem:a5fdc7facea201bfce4ad308105f88d0c"·id="r_a5fdc7facea201bfce4ad308105f88d0c"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d31/a01931.html#a5fdc7facea201bfce4ad308105f88d0c">INVALID_HANDLE_VALUE</a>&#160;&#160;&#160;0</td></tr> 
104 <tr·class="separator:a5fdc7facea201bfce4ad308105f88d0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>96 </table>
106 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
107 <a·id="a5fdc7facea201bfce4ad308105f88d0c"·name="a5fdc7facea201bfce4ad308105f88d0c"></a> 
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fdc7facea201bfce4ad308105f88d0c">&#9670;&#160;</a></span>INVALID_HANDLE_VALUE</h2> 
  
109 <div·class="memitem"> 
110 <div·class="memproto"> 
111 ······<table·class="memname"> 
112 ········<tr> 
113 ··········<td·class="memname">#define·INVALID_HANDLE_VALUE&#160;&#160;&#160;0</td> 
114 ········</tr> 
115 ······</table> 
116 </div><div·class="memdoc"> 
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d31/a01931_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d5/d31/a01931_source.html">directory.h</a>.</p> 
  
118 </div> 
119 </div> 
120 </div><!--·contents·-->97 </div><!--·contents·-->
121 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·BALLPlugin.h·File·Reference</title>8 <title>BALL:·coloringSettingsDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">BALLPlugin.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">coloringSettingsDialog.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;BALL/VIEW/UIC/ui_coloringSettingsDialog.h&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QString&gt;</code><br·/>86 <code>#include·&lt;vector&gt;</code><br·/>
84 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QVariant&gt;</code><br·/> 
86 </div>87 </div>
87 <p><a·href="../../d5/d32/a01214_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d5/d32/a01214_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">89 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>91 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d28/a07554.html">BALL::VIEW::ColoringSettingsDialog</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
100 Functions</h2></td></tr> 
101 <tr·class="memitem:ab59f10b6bfc2a745fa0875314c2efd8c"·id="r_ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
102 <tr·class="memitem:ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memTemplItemLeft"·align="right"·valign="top">T&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d5/d32/a01214.html#ab59f10b6bfc2a745fa0875314c2efd8c">qobject_cast</a>·(<a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a>·*plugin)</td></tr> 
103 <tr·class="separator:ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>101 </table>
105 <h2·class="groupheader">Function·Documentation</h2> 
106 <a·id="ab59f10b6bfc2a745fa0875314c2efd8c"·name="ab59f10b6bfc2a745fa0875314c2efd8c"></a> 
107 <h2·class="memtitle"><span·class="permalink"><a·href="#ab59f10b6bfc2a745fa0875314c2efd8c">&#9670;&#160;</a></span>qobject_cast()</h2> 
  
108 <div·class="memitem"> 
109 <div·class="memproto"> 
110 <div·class="memtemplate"> 
111 template&lt;typename·T·&gt;·</div> 
112 ······<table·class="memname"> 
113 ········<tr> 
114 ··········<td·class="memname">T·qobject_cast·</td> 
115 ··········<td>(</td> 
116 ··········<td·class="paramtype"><a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a>·*&#160;</td> 
117 ··········<td·class="paramname"><em>plugin</em></td><td>)</td> 
118 ··········<td></td> 
119 ········</tr> 
120 ······</table> 
121 </div><div·class="memdoc"> 
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d32/a01214_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d5/d32/a01214_source.html">BALLPlugin.h</a>.</p> 
  
123 </div> 
124 </div> 
125 </div><!--·contents·-->102 </div><!--·contents·-->
126 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
127 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
128 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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130 </body>107 </body>
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8 <title>BALL:·raytracingRenderer.h·File·Reference</title>8 <title>BALL:·piecewisePolynomial.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">raytracingRenderer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">piecewisePolynomial.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/VIEW/RENDERING/RENDERERS/bufferedRenderer.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d5/d35/a00266_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/d35/a00266_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dac/a08278.html">BALL::VIEW::RaytracingRenderer</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dd0/a04882.html">BALL::PiecewisePolynomial</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>94 </table>
100 </div><!--·contents·-->95 </div><!--·contents·-->
101 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">dockingAlgorithm.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">genericControl.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/>
 83 <code>#include·&lt;QtWidgets/QTreeWidget&gt;</code><br·/>
 84 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/>
 85 <code>#include·&lt;QtCore/QList&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/> 
87 </div>86 </div>
88 <p><a·href="../../d5/d3e/a01139_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d5/d3e/a01139_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">88 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>90 Classes</h2></td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html">BALL::VIEW::TreeWidget</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dff/a08390.html">BALL::VIEW::GenericControl</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>102 </table>
100 </div><!--·contents·-->103 </div><!--·contents·-->
101 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d4/d38/a06627.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d38/a06627.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::AddHydrogenProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::AddHydrogenProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d4b/a01883_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::AddHydrogenProcessor:</div>85 Inheritance·diagram·for·BALL::AddHydrogenProcessor:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d5/d3f/a06630.png"·usemap="#BALL::AddHydrogenProcessor_map"·alt=""/>88 ··<img·src="../../d5/d3f/a06630.png"·usemap="#BALL::AddHydrogenProcessor_map"·alt=""/>
89 ··<map·id="BALL::AddHydrogenProcessor_map"·name="BALL::AddHydrogenProcessor_map">89 ··<map·id="BALL::AddHydrogenProcessor_map"·name="BALL::AddHydrogenProcessor_map">
90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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164 <p>No·additional·optimization·of·the·atom·placement·is·performed.·The·optimal·bond·lengths·are·calculated·by·a·modified·Schomaker-Stevenson·rule·(adapted·from·the·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a>).·For·hydrogen·atoms·located·in·a·peptide·bond·the·atom·is·placed·taking·the·planarity·of·the·bond·into·account.·In·this·case·bond·length·is·taken·from·the·rules·used·by·DSSP·(Kabsch-Sander)·as·implemented·by·the·HydrogenBondProcessor.·</p><dl·class="section·user"><dt></dt><dd>Usage:·<div·class="fragment"><div·class="line"><a·class="code·hl_class"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·rpp;</div>164 <p>No·additional·optimization·of·the·atom·placement·is·performed.·The·optimal·bond·lengths·are·calculated·by·a·modified·Schomaker-Stevenson·rule·(adapted·from·the·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a>).·For·hydrogen·atoms·located·in·a·peptide·bond·the·atom·is·placed·taking·the·planarity·of·the·bond·into·account.·In·this·case·bond·length·is·taken·from·the·rules·used·by·DSSP·(Kabsch-Sander)·as·implemented·by·the·HydrogenBondProcessor.·</p><dl·class="section·user"><dt></dt><dd>Usage:·<div·class="fragment"><div·class="line"><a·class="code·hl_class"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·rpp;</div>
165 <div·class="line">vector&lt;vector&lt;Atom*&gt;·&gt;·rings;</div>165 <div·class="line">vector&lt;vector&lt;Atom*&gt;·&gt;·rings;</div>
166 <div·class="line">rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">calculateSSSR</a>(rings,·system);</div>166 <div·class="line">rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">calculateSSSR</a>(rings,·system);</div>
167 <div·class="line">rings·=·rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">getAllSmallRings</a>();</div>167 <div·class="line">rings·=·rpp.<a·class="code·hl_function"·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">getAllSmallRings</a>();</div>
168 <div·class="line"><a·class="code·hl_class"·href="../../d5/d3f/a06630.html">AddHydrogenProcessor</a>·ap;</div>168 <div·class="line"><a·class="code·hl_class"·href="../../d5/d3f/a06630.html">AddHydrogenProcessor</a>·ap;</div>
169 <div·class="line">ap.<a·class="code·hl_function"·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">setRings</a>(rings);</div>169 <div·class="line">ap.<a·class="code·hl_function"·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">setRings</a>(rings);</div>
170 <div·class="line">system.apply(ap);</div>170 <div·class="line">system.apply(ap);</div>
171 <div·class="ttc"·id="aa05850_html"><div·class="ttname"><a·href="../../da/d81/a05850.html">BALL::RingPerceptionProcessor</a></div><div·class="ttdef"><b>Definition</b>·<a·href="../../d7/d12/a00911_source.html#l00036">ringPerceptionProcessor.h:38</a></div></div>171 <div·class="ttc"·id="aa05850_html"><div·class="ttname"><a·href="../../da/d81/a05850.html">BALL::RingPerceptionProcessor</a></div><div·class="ttdef"><b>Definition</b>·<a·href="../../d3/d29/a00419_source.html#l00036">ringPerceptionProcessor.h:38</a></div></div>
172 <div·class="ttc"·id="aa05850_html_aa93bc36568f02ce5f77c22859d717676"><div·class="ttname"><a·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">BALL::RingPerceptionProcessor::getAllSmallRings</a></div><div·class="ttdeci">const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;·getAllSmallRings()·const</div></div>172 <div·class="ttc"·id="aa05850_html_aa93bc36568f02ce5f77c22859d717676"><div·class="ttname"><a·href="../../da/d81/a05850.html#aa93bc36568f02ce5f77c22859d717676">BALL::RingPerceptionProcessor::getAllSmallRings</a></div><div·class="ttdeci">const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;·getAllSmallRings()·const</div></div>
173 <div·class="ttc"·id="aa05850_html_afda9f3a86ab7ab299140327e2c984259"><div·class="ttname"><a·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">BALL::RingPerceptionProcessor::calculateSSSR</a></div><div·class="ttdeci">Size·calculateSSSR(vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;sssr,·AtomContainer·&amp;ac)</div></div>173 <div·class="ttc"·id="aa05850_html_afda9f3a86ab7ab299140327e2c984259"><div·class="ttname"><a·href="../../da/d81/a05850.html#afda9f3a86ab7ab299140327e2c984259">BALL::RingPerceptionProcessor::calculateSSSR</a></div><div·class="ttdeci">Size·calculateSSSR(vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;sssr,·AtomContainer·&amp;ac)</div></div>
174 <div·class="ttc"·id="aa06630_html"><div·class="ttname"><a·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></div><div·class="ttdef"><b>Definition</b>·<a·href="../../d9/d9b/a01889_source.html#l00058">addHydrogenProcessor.h:60</a></div></div>174 <div·class="ttc"·id="aa06630_html"><div·class="ttname"><a·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></div><div·class="ttdef"><b>Definition</b>·<a·href="../../db/d4b/a01883_source.html#l00058">addHydrogenProcessor.h:60</a></div></div>
175 <div·class="ttc"·id="aa06630_html_aaaf414b2cb67c975cc02e477a0ea4859"><div·class="ttname"><a·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">BALL::AddHydrogenProcessor::setRings</a></div><div·class="ttdeci">void·setRings(const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;rings)</div></div>175 <div·class="ttc"·id="aa06630_html_aaaf414b2cb67c975cc02e477a0ea4859"><div·class="ttname"><a·href="../../d5/d3f/a06630.html#aaaf414b2cb67c975cc02e477a0ea4859">BALL::AddHydrogenProcessor::setRings</a></div><div·class="ttdeci">void·setRings(const·vector&lt;·vector&lt;·Atom·*·&gt;·&gt;·&amp;rings)</div></div>
176 </div><!--·fragment·--></dd></dl>176 </div><!--·fragment·--></dd></dl>
177 <p>Keep·in·mind·that·the·hydrogen·positions·obtained·by·using·this·method·are·usually·not·optimal.·For·better·better·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·placment·when·adding·hydrogens·to·Proteins·and·DNA·you·should·use·the·<a·class="el"·href="../../d1/d43/a07042.html">ReconstructFragmentProcessor</a>.·Nevertheless·in·both·cases·it·is·recommended·to·optimize·the·obtained·hydrogen·atom·positions·using·a·force·field·(e.g.·<a·class="el"·href="../../da/d9e/a04926.html">BALL::AmberFF</a>,·<a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a>,·<a·class="el"·href="../../d5/d9b/a05222.html">BALL::MMFF94</a>)·</p>177 <p>Keep·in·mind·that·the·hydrogen·positions·obtained·by·using·this·method·are·usually·not·optimal.·For·better·better·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·placment·when·adding·hydrogens·to·Proteins·and·DNA·you·should·use·the·<a·class="el"·href="../../d1/d43/a07042.html">ReconstructFragmentProcessor</a>.·Nevertheless·in·both·cases·it·is·recommended·to·optimize·the·obtained·hydrogen·atom·positions·using·a·force·field·(e.g.·<a·class="el"·href="../../da/d9e/a04926.html">BALL::AmberFF</a>,·<a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a>,·<a·class="el"·href="../../d5/d9b/a05222.html">BALL::MMFF94</a>)·</p>
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">addHydrogenProcessor.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d4b/a01883_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../db/d4b/a01883_source.html">addHydrogenProcessor.h</a>.</p>
179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
180 <a·id="a26b00141d0f28ce076a902d71536f134"·name="a26b00141d0f28ce076a902d71536f134"></a>180 <a·id="a26b00141d0f28ce076a902d71536f134"·name="a26b00141d0f28ce076a902d71536f134"></a>
181 <h2·class="memtitle"><span·class="permalink"><a·href="#a26b00141d0f28ce076a902d71536f134">&#9670;&#160;</a></span>AddHydrogenProcessor()</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a26b00141d0f28ce076a902d71536f134">&#9670;&#160;</a></span>AddHydrogenProcessor()</h2>
  
182 <div·class="memitem">182 <div·class="memitem">
183 <div·class="memproto">183 <div·class="memproto">
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418 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>418 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
419 ··</tr>419 ··</tr>
420 </table>420 </table>
421 </div><div·class="memdoc">421 </div><div·class="memdoc">
422 <p>Returns·the·number·of·added·hydrogen·atoms.·This·value·will·accumulate·over·multiple·calls·of·operator()</p>422 <p>Returns·the·number·of·added·hydrogen·atoms.·This·value·will·accumulate·over·multiple·calls·of·operator()</p>
423 <dl·class="section·return"><dt>Returns</dt><dd>The·number·of·added·hydrogens·</dd></dl>423 <dl·class="section·return"><dt>Returns</dt><dd>The·number·of·added·hydrogens·</dd></dl>
  
424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">addHydrogenProcessor.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d4b/a01883_source.html#l00118">118</a>·of·file·<a·class="el"·href="../../db/d4b/a01883_source.html">addHydrogenProcessor.h</a>.</p>
  
425 </div>425 </div>
426 </div>426 </div>
427 <a·id="ae6f7418e81a322c6897b79d418eae551"·name="ae6f7418e81a322c6897b79d418eae551"></a>427 <a·id="ae6f7418e81a322c6897b79d418eae551"·name="ae6f7418e81a322c6897b79d418eae551"></a>
428 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f7418e81a322c6897b79d418eae551">&#9670;&#160;</a></span>getPartners_()</h2>428 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6f7418e81a322c6897b79d418eae551">&#9670;&#160;</a></span>getPartners_()</h2>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/dc1/a04943.html">List·of·all·members</a>··</div>77 <a·href="../../d5/dc1/a04943.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AmberStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AmberStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/MOLMEC/AMBER/amberStretch.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/db2/a00020_source.html">BALL/MOLMEC/AMBER/amberStretch.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AmberStretch:</div>83 Inheritance·diagram·for·BALL::AmberStretch:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/d41/a04946.png"·usemap="#BALL::AmberStretch_map"·alt=""/>86 ··<img·src="../../d5/d41/a04946.png"·usemap="#BALL::AmberStretch_map"·alt=""/>
87 ··<map·id="BALL::AmberStretch_map"·name="BALL::AmberStretch_map">87 ··<map·id="BALL::AmberStretch_map"·name="BALL::AmberStretch_map">
88 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>88 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>
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234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>234 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>235 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p>Amber·bond·stretch·component·</p>239 <div·class="textblock"><p>Amber·bond·stretch·component·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01565_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d6/d82/a01565_source.html">amberStretch.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">amberStretch.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="a5628dab7425ffa443bc8d14518b7bcf1"·name="a5628dab7425ffa443bc8d14518b7bcf1"></a>242 <a·id="a5628dab7425ffa443bc8d14518b7bcf1"·name="a5628dab7425ffa443bc8d14518b7bcf1"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#a5628dab7425ffa443bc8d14518b7bcf1">&#9670;&#160;</a></span>AmberStretch()·<span·class="overload">[1/2]</span></h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#a5628dab7425ffa443bc8d14518b7bcf1">&#9670;&#160;</a></span>AmberStretch()·<span·class="overload">[1/2]</span></h2>
  
244 <div·class="memitem">244 <div·class="memitem">
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79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d1/d5e/a05403.html">List·of·all·members</a>··</div>81 <a·href="../../d1/d5e/a05403.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::QuadraticAngleBend:</div>87 Inheritance·diagram·for·BALL::QuadraticAngleBend:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d5/d43/a05406.png"·usemap="#BALL::QuadraticAngleBend_map"·alt=""/>90 ··<img·src="../../d5/d43/a05406.png"·usemap="#BALL::QuadraticAngleBend_map"·alt=""/>
91 ··<map·id="BALL::QuadraticAngleBend_map"·name="BALL::QuadraticAngleBend_map">91 ··<map·id="BALL::QuadraticAngleBend_map"·name="BALL::QuadraticAngleBend_map">
92 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,167,24"/>92 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,167,24"/>
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201 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>201 <tr·class="inherit_header·pub_static_attribs_a04082"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a04082')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../db/d64/a04082.html">BALL::ParameterSection</a></td></tr>
202 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"·id="r_a9ac05e32ffcf916b92539170f61befd2"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>202 <tr·class="memitem:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"·id="r_a9ac05e32ffcf916b92539170f61befd2"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a9ac05e32ffcf916b92539170f61befd2">UNDEFINED</a></td></tr>
203 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>203 <tr·class="separator:a9ac05e32ffcf916b92539170f61befd2·inherit·pub_static_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
204 </table>204 </table>
205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>205 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
206 <div·class="textblock"><p><a·class="el"·href="../../d5/d43/a05406.html">QuadraticAngleBend</a>.·Molecular·Mechanics·Parameter:·class·describing·the·parameters·required·to·implement·a·harmonic·potential·describing·angle·bends.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>206 <div·class="textblock"><p><a·class="el"·href="../../d5/d43/a05406.html">QuadraticAngleBend</a>.·Molecular·Mechanics·Parameter:·class·describing·the·parameters·required·to·implement·a·harmonic·potential·describing·angle·bends.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
208 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>208 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
209 <a·id="a1f82c71beda47e3867f1550eb9826091"·name="a1f82c71beda47e3867f1550eb9826091"></a>209 <a·id="a1f82c71beda47e3867f1550eb9826091"·name="a1f82c71beda47e3867f1550eb9826091"></a>
210 <h2·class="memtitle"><span·class="permalink"><a·href="#a1f82c71beda47e3867f1550eb9826091">&#9670;&#160;</a></span>anonymous·enum</h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#a1f82c71beda47e3867f1550eb9826091">&#9670;&#160;</a></span>anonymous·enum</h2>
  
211 <div·class="memitem">211 <div·class="memitem">
212 <div·class="memproto">212 <div·class="memproto">
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219 ······</table>219 ······</table>
220 </div><div·class="memdoc">220 </div><div·class="memdoc">
221 <table·class="fieldtable">221 <table·class="fieldtable">
222 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"·name="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>222 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"·name="a1f82c71beda47e3867f1550eb9826091a8d3c3cee527c3a576a7ecaccdd3cfb21"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
223 </table>223 </table>
  
224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
225 </div>225 </div>
226 </div>226 </div>
227 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>227 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
228 <a·id="a6ffdd8daaf4765d3c3d00a90d5995fa7"·name="a6ffdd8daaf4765d3c3d00a90d5995fa7"></a>228 <a·id="a6ffdd8daaf4765d3c3d00a90d5995fa7"·name="a6ffdd8daaf4765d3c3d00a90d5995fa7"></a>
229 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ffdd8daaf4765d3c3d00a90d5995fa7">&#9670;&#160;</a></span>QuadraticAngleBend()</h2>229 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ffdd8daaf4765d3c3d00a90d5995fa7">&#9670;&#160;</a></span>QuadraticAngleBend()</h2>
  
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501 ··</td>501 ··</td>
502 ··<td·class="mlabels-right">502 ··<td·class="mlabels-right">
503 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>503 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
504 ··</tr>504 ··</tr>
505 </table>505 </table>
506 </div><div·class="memdoc">506 </div><div·class="memdoc">
  
507 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>507 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
508 </div>508 </div>
509 </div>509 </div>
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512 <div·class="memitem">512 <div·class="memitem">
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525 ··</td>525 ··</td>
526 ··<td·class="mlabels-right">526 ··<td·class="mlabels-right">
527 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>527 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
528 ··</tr>528 ··</tr>
529 </table>529 </table>
530 </div><div·class="memdoc">530 </div><div·class="memdoc">
  
531 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>531 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
532 </div>532 </div>
533 </div>533 </div>
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535 <h2·class="memtitle"><span·class="permalink"><a·href="#a9605b917ff9722f30dc23d08708c65ae">&#9670;&#160;</a></span>values_</h2>535 <h2·class="memtitle"><span·class="permalink"><a·href="#a9605b917ff9722f30dc23d08708c65ae">&#9670;&#160;</a></span>values_</h2>
  
536 <div·class="memitem">536 <div·class="memitem">
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549 ··</td>549 ··</td>
550 ··<td·class="mlabels-right">550 ··<td·class="mlabels-right">
551 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>551 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
552 ··</tr>552 ··</tr>
553 </table>553 </table>
554 </div><div·class="memdoc">554 </div><div·class="memdoc">
  
555 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>555 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
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561 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8561 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d95/a08347.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d95/a08347.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderTarget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderTarget·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a00302_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::RenderTarget:</div>84 Inheritance·diagram·for·BALL::VIEW::RenderTarget:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/d43/a08350.png"·usemap="#BALL::VIEW::RenderTarget_map"·alt=""/>87 ··<img·src="../../d5/d43/a08350.png"·usemap="#BALL::VIEW::RenderTarget_map"·alt=""/>
88 ··<map·id="BALL::VIEW::RenderTarget_map"·name="BALL::VIEW::RenderTarget_map">88 ··<map·id="BALL::VIEW::RenderTarget_map"·name="BALL::VIEW::RenderTarget_map">
89 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="149,56,438,80"/>89 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="149,56,438,80"/>
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114 <tr·class="memitem:af6035ef7d42ebd044f3046bd850de904"·id="r_af6035ef7d42ebd044f3046bd850de904"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#af6035ef7d42ebd044f3046bd850de904">setupStereo</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>)</td></tr>114 <tr·class="memitem:af6035ef7d42ebd044f3046bd850de904"·id="r_af6035ef7d42ebd044f3046bd850de904"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a08350.html#af6035ef7d42ebd044f3046bd850de904">setupStereo</a>·(<a·class="el"·href="../../de/ded/a09238.html">float</a>,·<a·class="el"·href="../../de/ded/a09238.html">float</a>)</td></tr>
115 <tr·class="separator:af6035ef7d42ebd044f3046bd850de904"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:af6035ef7d42ebd044f3046bd850de904"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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117 <tr·class="separator:adebd0cb141a5e4fccb89f34898487f35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:adebd0cb141a5e4fccb89f34898487f35"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 </table>118 </table>
119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>119 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
120 <div·class="textblock">120 <div·class="textblock">
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
122 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>122 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
123 <a·id="af912b2e531ddc90f212b99cdb1ba4d6e"·name="af912b2e531ddc90f212b99cdb1ba4d6e"></a>123 <a·id="af912b2e531ddc90f212b99cdb1ba4d6e"·name="af912b2e531ddc90f212b99cdb1ba4d6e"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#af912b2e531ddc90f212b99cdb1ba4d6e">&#9670;&#160;</a></span>~RenderTarget()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#af912b2e531ddc90f212b99cdb1ba4d6e">&#9670;&#160;</a></span>~RenderTarget()</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
126 <div·class="memproto">126 <div·class="memproto">
127 <table·class="mlabels">127 <table·class="mlabels">
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139 ··</td>139 ··</td>
140 ··<td·class="mlabels-right">140 ··<td·class="mlabels-right">
141 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>141 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
142 ··</tr>142 ··</tr>
143 </table>143 </table>
144 </div><div·class="memdoc">144 </div><div·class="memdoc">
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00230">230</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <h2·class="groupheader">Member·Function·Documentation</h2>148 <h2·class="groupheader">Member·Function·Documentation</h2>
149 <a·id="adebd0cb141a5e4fccb89f34898487f35"·name="adebd0cb141a5e4fccb89f34898487f35"></a>149 <a·id="adebd0cb141a5e4fccb89f34898487f35"·name="adebd0cb141a5e4fccb89f34898487f35"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#adebd0cb141a5e4fccb89f34898487f35">&#9670;&#160;</a></span>doNotResize()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#adebd0cb141a5e4fccb89f34898487f35">&#9670;&#160;</a></span>doNotResize()</h2>
  
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421 </table>421 </table>
422 </div><div·class="memdoc">422 </div><div·class="memdoc">
423 <p>Sets·this·render·target·as·a·part·of·a·stereo·setup.</p>423 <p>Sets·this·render·target·as·a·part·of·a·stereo·setup.</p>
424 <p>eye_separation·denotes·the·distance·along·the·right·vector·used·by·this·"eye".·</p>424 <p>eye_separation·denotes·the·distance·along·the·right·vector·used·by·this·"eye".·</p>
  
425 <p>Reimplemented·in·<a·class="el"·href="../../d4/dfb/a08242.html#a427b43175ede130283b66272235eb4c5">BALL::VIEW::GLRenderWindow</a>.</p>425 <p>Reimplemented·in·<a·class="el"·href="../../d4/dfb/a08242.html#a427b43175ede130283b66272235eb4c5">BALL::VIEW::GLRenderWindow</a>.</p>
  
426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
427 </div>427 </div>
428 </div>428 </div>
429 </div><!--·contents·-->429 </div><!--·contents·-->
430 <!--·start·footer·part·-->430 <!--·start·footer·part·-->
431 <hr·class="footer"/><address·class="footer"><small>431 <hr·class="footer"/><address·class="footer"><small>
432 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8432 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d0/d94/a06507.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d94/a06507.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a8355ac66baf1d3cf537233e8c97a7d4a"·id="r_a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">METHOD</a></td></tr>86 <tr·class="memitem:a8355ac66baf1d3cf537233e8c97a7d4a"·id="r_a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">METHOD</a></td></tr>
87 <tr·class="separator:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8355ac66baf1d3cf537233e8c97a7d4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ae1c2eab9a90ffc6a4c4dd1c47793988d"·id="r_ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">SAMPLES</a></td></tr>88 <tr·class="memitem:ae1c2eab9a90ffc6a4c4dd1c47793988d"·id="r_ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">SAMPLES</a></td></tr>
89 <tr·class="separator:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ae1c2eab9a90ffc6a4c4dd1c47793988d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a75869d6b1020a34b3014f64001058cea"·id="r_a75869d6b1020a34b3014f64001058cea"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">VERBOSITY</a></td></tr>90 <tr·class="memitem:a75869d6b1020a34b3014f64001058cea"·id="r_a75869d6b1020a34b3014f64001058cea"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">VERBOSITY</a></td></tr>
91 <tr·class="separator:a75869d6b1020a34b3014f64001058cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a75869d6b1020a34b3014f64001058cea"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dc/dc0/a06506.html#a56188353f2e3edc05cf83ef7d2ace9af">Pair6_12RDFIntegrator::options</a>.·</p>94 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dc/dc0/a06506.html#a56188353f2e3edc05cf83ef7d2ace9af">Pair6_12RDFIntegrator::options</a>.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a8355ac66baf1d3cf537233e8c97a7d4a"·name="a8355ac66baf1d3cf537233e8c97a7d4a"></a>97 <a·id="a8355ac66baf1d3cf537233e8c97a7d4a"·name="a8355ac66baf1d3cf537233e8c97a7d4a"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8355ac66baf1d3cf537233e8c97a7d4a">&#9670;&#160;</a></span>METHOD</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8355ac66baf1d3cf537233e8c97a7d4a">&#9670;&#160;</a></span>METHOD</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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119 <dl·class="params"><dt>Parameters</dt><dd>119 <dl·class="params"><dt>Parameters</dt><dd>
120 ··<table·class="params">120 ··<table·class="params">
121 ····<tr><td·class="paramname">integration_method</td><td>integer·</td></tr>121 ····<tr><td·class="paramname">integration_method</td><td>integer·</td></tr>
122 ··</table>122 ··</table>
123 ··</dd>123 ··</dd>
124 </dl>124 </dl>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ae1c2eab9a90ffc6a4c4dd1c47793988d"·name="ae1c2eab9a90ffc6a4c4dd1c47793988d"></a>128 <a·id="ae1c2eab9a90ffc6a4c4dd1c47793988d"·name="ae1c2eab9a90ffc6a4c4dd1c47793988d"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2eab9a90ffc6a4c4dd1c47793988d">&#9670;&#160;</a></span>SAMPLES</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2eab9a90ffc6a4c4dd1c47793988d">&#9670;&#160;</a></span>SAMPLES</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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150 <dl·class="params"><dt>Parameters</dt><dd>150 <dl·class="params"><dt>Parameters</dt><dd>
151 ··<table·class="params">151 ··<table·class="params">
152 ····<tr><td·class="paramname">samples</td><td>integer·</td></tr>152 ····<tr><td·class="paramname">samples</td><td>integer·</td></tr>
153 ··</table>153 ··</table>
154 ··</dd>154 ··</dd>
155 </dl>155 </dl>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00059">59</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
157 </div>157 </div>
158 </div>158 </div>
159 <a·id="a75869d6b1020a34b3014f64001058cea"·name="a75869d6b1020a34b3014f64001058cea"></a>159 <a·id="a75869d6b1020a34b3014f64001058cea"·name="a75869d6b1020a34b3014f64001058cea"></a>
160 <h2·class="memtitle"><span·class="permalink"><a·href="#a75869d6b1020a34b3014f64001058cea">&#9670;&#160;</a></span>VERBOSITY</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a75869d6b1020a34b3014f64001058cea">&#9670;&#160;</a></span>VERBOSITY</h2>
  
161 <div·class="memitem">161 <div·class="memitem">
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181 <dl·class="params"><dt>Parameters</dt><dd>181 <dl·class="params"><dt>Parameters</dt><dd>
182 ··<table·class="params">182 ··<table·class="params">
183 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>183 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
184 ··</table>184 ··</table>
185 ··</dd>185 ··</dd>
186 </dl>186 </dl>
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
188 </div>188 </div>
189 </div>189 </div>
190 </div><!--·contents·-->190 </div><!--·contents·-->
191 <!--·start·footer·part·-->191 <!--·start·footer·part·-->
192 <hr·class="footer"/><address·class="footer"><small>192 <hr·class="footer"/><address·class="footer"><small>
193 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8193 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/dc4/a04487.html">List·of·all·members</a>··</div>78 <a·href="../../d8/dc4/a04487.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Bond::NotBound·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Bond::NotBound·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Bond::NotBound:</div>84 Inheritance·diagram·for·BALL::Bond::NotBound:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/d47/a04490.png"·usemap="#BALL::Bond::NotBound_map"·alt=""/>87 ··<img·src="../../d5/d47/a04490.png"·usemap="#BALL::Bond::NotBound_map"·alt=""/>
88 ··<map·id="BALL::Bond::NotBound_map"·name="BALL::Bond::NotBound_map">88 ··<map·id="BALL::Bond::NotBound_map"·name="BALL::Bond::NotBound_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Not·bound·to·two·atoms.·This·exception·may·be·thrown·by·<a·class="el"·href="../../df/dd2/a04486.html#aa107cbcdcc60ce27ccb05ce09eaf1f70">getLength·</a>·if·this·instance·is·not·bound.·</p>143 <div·class="textblock"><p>Not·bound·to·two·atoms.·This·exception·may·be·thrown·by·<a·class="el"·href="../../df/dd2/a04486.html#aa107cbcdcc60ce27ccb05ce09eaf1f70">getLength·</a>·if·this·instance·is·not·bound.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d95/a00779_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d3/d95/a00779_source.html">bond.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dae/a00563_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dc/dae/a00563_source.html">bond.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a5105a3a6b51f4c7b5747e9246237ccaa"·name="a5105a3a6b51f4c7b5747e9246237ccaa"></a>146 <a·id="a5105a3a6b51f4c7b5747e9246237ccaa"·name="a5105a3a6b51f4c7b5747e9246237ccaa"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a5105a3a6b51f4c7b5747e9246237ccaa">&#9670;&#160;</a></span>NotBound()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a5105a3a6b51f4c7b5747e9246237ccaa">&#9670;&#160;</a></span>NotBound()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·plsModel.h·File·Reference</title>8 <title>BALL:·MOLFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">plsModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">MOLFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../d5/d54/a00938_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/d54/a00938_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>87 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1d/a05822.html">BALL::QSAR::PLSModel</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d56/a03982.html">BALL::MOLFile</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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80 ··<div·class="headertitle"><div·class="title">BALL::GeneralizedBornModel·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GeneralizedBornModel·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/de7/a00014_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SOLVATION/generalizedBornCase.h</a>&gt;</code></p>
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132 Macromolecules"·Onufriev,·Bashford,·Case·J.·Phys.·Chem.·B·104:3712-3720,·2000</p>132 Macromolecules"·Onufriev,·Bashford,·Case·J.·Phys.·Chem.·B·104:3712-3720,·2000</p>
133 <p>This·paper·uses·techniques·from</p>133 <p>This·paper·uses·techniques·from</p>
134 <p>[2]·"Semianalytical·Treatment·of·Solvation·for·Molecular134 <p>[2]·"Semianalytical·Treatment·of·Solvation·for·Molecular
135 Mechanics·and·Dynamics"·Still,·Tempczyk,·Hawley,·Hendrickson·J.·Am.·Chem.·Soc.·112(16):6127-6129,·1990</p>135 Mechanics·and·Dynamics"·Still,·Tempczyk,·Hawley,·Hendrickson·J.·Am.·Chem.·Soc.·112(16):6127-6129,·1990</p>
136 <p>[3]·"Application·of·a·pairwise·generalized·Born·model·to136 <p>[3]·"Application·of·a·pairwise·generalized·Born·model·to
137 proteins·and·nucleic·acids:·inclusion·of·salt·eff¤ects·"·Srinivasan,·Trevathan,·Beroza,·Case·Theor.·Chem.·Acc.·101(6):426-434,·1999·</p>137 proteins·and·nucleic·acids:·inclusion·of·salt·eff¤ects·"·Srinivasan,·Trevathan,·Beroza,·Case·Theor.·Chem.·Acc.·101(6):426-434,·1999·</p>
  
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139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">downloadElectronDensity.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">mlrModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_downloadElectronDensity.h&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
84 <code>#include·&lt;QtNetwork/QNetworkReply&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../d5/d5f/a00461_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/d5f/a00461_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
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 82 <code>#include·&lt;QtWidgets/QDockWidget&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/> 
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78 ··<div·class="headertitle"><div·class="title">pyBALLSipHelper.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">POVRenderer.h·File·Reference</div></div>
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81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
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82 </div>85 </div>
83 <p><a·href="../../d5/d67/a01466_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d5/d67/a01466_source.html">Go·to·the·source·code·of·this·file.</a></p>
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91 Functions</h2></td></tr> 
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93 <tr·class="separator:gadaecdf15c1cc71154c004ab58fea3aec"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 ··<div·class="headertitle"><div·class="title">QSARData.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">DSN6File.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
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83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d95/a01247_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d3/d0b/a01253_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;vector&gt;</code><br·/> 
89 <code>#include·&lt;list&gt;</code><br·/> 
90 <code>#include·&lt;set&gt;</code><br·/> 
91 <code>#include·&lt;map&gt;</code><br·/> 
92 <code>#include·&lt;cmath&gt;</code><br·/> 
93 <code>#include·&lt;sstream&gt;</code><br·/> 
94 <code>#include·&lt;fstream&gt;</code><br·/> 
95 <code>#include·&lt;limits&gt;</code><br·/> 
96 <code>#include·&lt;<a·class="el"·href="../../d7/d76/a00992_source.html">BALL/QSAR/simpleDescriptors.h</a>&gt;</code><br·/> 
97 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00920_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code><br·/> 
98 <code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code><br·/> 
99 <code>#include·&lt;<a·class="el"·href="../../df/dce/a00974_source.html">BALL/QSAR/surfaceDescriptors.h</a>&gt;</code><br·/> 
100 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
101 <code>#include·&lt;cstring&gt;</code><br·/> 
102 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
103 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
104 <code>#include·&lt;<a·class="el"·href="../../dc/dbc/a01391_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code><br·/> 
105 </div>83 </div>
106 <p><a·href="../../d5/d6c/a00977_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/d6c/a00977_source.html">Go·to·the·source·code·of·this·file.</a></p>
107 <table·class="memberdecls">85 <table·class="memberdecls">
108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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110 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6f/a05826.html">BALL::QSAR::QSARData</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d72/a03886.html">BALL::DSN6File</a></td></tr>
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115 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
116 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
117 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
118 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
119 </table><table·class="memberdecls"> 
120 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
121 Typedefs</h2></td></tr> 
122 <tr·class="memitem:af4cd383c264631e8ec7d96bdeaa34876"·id="r_af4cd383c264631e8ec7d96bdeaa34876"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af4cd383c264631e8ec7d96bdeaa34876">BALL::QSAR::Column</a></td></tr> 
123 <tr·class="separator:af4cd383c264631e8ec7d96bdeaa34876"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
124 <tr·class="memitem:af3b14f03329ae146c29233e21c23c08f"·id="r_af3b14f03329ae146c29233e21c23c08f"><td·class="memItemLeft"·align="right"·valign="top">typedef·vector&lt;·<a·class="el"·href="../../da/d3b/a02229.html#af4cd383c264631e8ec7d96bdeaa34876">Column</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html#af3b14f03329ae146c29233e21c23c08f">BALL::QSAR::VMatrix</a></td></tr> 
125 <tr·class="separator:af3b14f03329ae146c29233e21c23c08f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
126 </table>95 </table>
127 </div><!--·contents·-->96 </div><!--·contents·-->
128 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
129 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
130 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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132 </body>101 </body>
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79 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD::AuxFactors·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CanonicalMD::AuxFactors·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Helper·class·containing·auxiliary·factors.··82 <p>Helper·class·containing·auxiliary·factors.··
83 ·<a·href="../../d5/d6d/a05142.html#details">More...</a></p>83 ·<a·href="../../d5/d6d/a05142.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a01520_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/MOLMEC/MDSIMULATION/canonicalMD.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
87 Public·Attributes</h2></td></tr>87 Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a30af31c24334dcc44457211b4914f5b5"·id="r_a30af31c24334dcc44457211b4914f5b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a30af31c24334dcc44457211b4914f5b5">factor1</a></td></tr>88 <tr·class="memitem:a30af31c24334dcc44457211b4914f5b5"·id="r_a30af31c24334dcc44457211b4914f5b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a30af31c24334dcc44457211b4914f5b5">factor1</a></td></tr>
89 <tr·class="separator:a30af31c24334dcc44457211b4914f5b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a30af31c24334dcc44457211b4914f5b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a4c73c81523a57913c51f46d513bf5ccf"·id="r_a4c73c81523a57913c51f46d513bf5ccf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a4c73c81523a57913c51f46d513bf5ccf">factor2</a></td></tr>90 <tr·class="memitem:a4c73c81523a57913c51f46d513bf5ccf"·id="r_a4c73c81523a57913c51f46d513bf5ccf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6d/a05142.html#a4c73c81523a57913c51f46d513bf5ccf">factor2</a></td></tr>
91 <tr·class="separator:a4c73c81523a57913c51f46d513bf5ccf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a4c73c81523a57913c51f46d513bf5ccf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Helper·class·containing·auxiliary·factors.·</p>94 <div·class="textblock"><p>Helper·class·containing·auxiliary·factors.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a30af31c24334dcc44457211b4914f5b5"·name="a30af31c24334dcc44457211b4914f5b5"></a>97 <a·id="a30af31c24334dcc44457211b4914f5b5"·name="a30af31c24334dcc44457211b4914f5b5"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a30af31c24334dcc44457211b4914f5b5">&#9670;&#160;</a></span>factor1</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a30af31c24334dcc44457211b4914f5b5">&#9670;&#160;</a></span>factor1</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor1</td>103 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor1</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a4c73c81523a57913c51f46d513bf5ccf"·name="a4c73c81523a57913c51f46d513bf5ccf"></a>110 <a·id="a4c73c81523a57913c51f46d513bf5ccf"·name="a4c73c81523a57913c51f46d513bf5ccf"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c73c81523a57913c51f46d513bf5ccf">&#9670;&#160;</a></span>factor2</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c73c81523a57913c51f46d513bf5ccf">&#9670;&#160;</a></span>factor2</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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121 ······<table·class="memname">121 ······<table·class="memname">
122 ········<tr>122 ········<tr>
123 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor2</td>123 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::CanonicalMD::AuxFactors::factor2</td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a01520_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../d4/d51/a01520_source.html">canonicalMD.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dd9/a00179_source.html#l00145">145</a>·of·file·<a·class="el"·href="../../db/dd9/a00179_source.html">canonicalMD.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 </div><!--·contents·-->130 </div><!--·contents·-->
131 <!--·start·footer·part·-->131 <!--·start·footer·part·-->
132 <hr·class="footer"/><address·class="footer"><small>132 <hr·class="footer"/><address·class="footer"><small>
133 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8133 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/dd7/a07051.html">List·of·all·members</a>··</div>78 <a·href="../../de/dd7/a07051.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition2·&gt;·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition2·&gt;·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:abb944ce5df087cc4fabe49e80023ad81"·id="r_abb944ce5df087cc4fabe49e80023ad81"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d78/a07054.html#abb944ce5df087cc4fabe49e80023ad81">operator()</a>·(const·<a·class="el"·href="../../de/d0a/a07046.html">BALL::SortedPosition2</a>·&amp;p)·const</td></tr>86 <tr·class="memitem:abb944ce5df087cc4fabe49e80023ad81"·id="r_abb944ce5df087cc4fabe49e80023ad81"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d78/a07054.html#abb944ce5df087cc4fabe49e80023ad81">operator()</a>·(const·<a·class="el"·href="../../de/d0a/a07046.html">BALL::SortedPosition2</a>·&amp;p)·const</td></tr>
87 <tr·class="separator:abb944ce5df087cc4fabe49e80023ad81"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:abb944ce5df087cc4fabe49e80023ad81"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">reducedSurface.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
92 </div><h2·class="groupheader">Member·Function·Documentation</h2>92 </div><h2·class="groupheader">Member·Function·Documentation</h2>
93 <a·id="abb944ce5df087cc4fabe49e80023ad81"·name="abb944ce5df087cc4fabe49e80023ad81"></a>93 <a·id="abb944ce5df087cc4fabe49e80023ad81"·name="abb944ce5df087cc4fabe49e80023ad81"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#abb944ce5df087cc4fabe49e80023ad81">&#9670;&#160;</a></span>operator()()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#abb944ce5df087cc4fabe49e80023ad81">&#9670;&#160;</a></span>operator()()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
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111 ··</td>111 ··</td>
112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">reducedSurface.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
  
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123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-slots">Protected·Slots</a>·&#124;79 <a·href="#pro-slots">Protected·Slots</a>·&#124;
80 <a·href="../../d8/dc0/a08543.html">List·of·all·members</a>··</div>80 <a·href="../../d8/dc0/a08543.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableView·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableView·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../de/d55/a00323_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::ShortcutTableView:</div>86 Inheritance·diagram·for·BALL::VIEW::ShortcutTableView:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d5/d80/a08546.png"·usemap="#BALL::VIEW::ShortcutTableView_map"·alt=""/>89 ··<img·src="../../d5/d80/a08546.png"·usemap="#BALL::VIEW::ShortcutTableView_map"·alt=""/>
90 ··<map·id="BALL::VIEW::ShortcutTableView_map"·name="BALL::VIEW::ShortcutTableView_map">90 ··<map·id="BALL::VIEW::ShortcutTableView_map"·name="BALL::VIEW::ShortcutTableView_map">
91 <area·href="../../d0/da8/a20302.html"·alt="QTableView"·shape="rect"·coords="0,0,192,24"/>91 <area·href="../../d0/da8/a20302.html"·alt="QTableView"·shape="rect"·coords="0,0,192,24"/>
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112 <tr·class="memitem:a8f9488bde1100e0bcaf249f0d6206d8e"·id="r_a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a8f9488bde1100e0bcaf249f0d6206d8e">editSuccess_</a>·()</td></tr>112 <tr·class="memitem:a8f9488bde1100e0bcaf249f0d6206d8e"·id="r_a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a8f9488bde1100e0bcaf249f0d6206d8e">editSuccess_</a>·()</td></tr>
113 <tr·class="separator:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a8f9488bde1100e0bcaf249f0d6206d8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:a0d3206c93aa8be3c64fc69734a2d2fc0"·id="r_a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a0d3206c93aa8be3c64fc69734a2d2fc0">onClick</a>·(const·QModelIndex·&amp;index)</td></tr>114 <tr·class="memitem:a0d3206c93aa8be3c64fc69734a2d2fc0"·id="r_a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html#a0d3206c93aa8be3c64fc69734a2d2fc0">onClick</a>·(const·QModelIndex·&amp;index)</td></tr>
115 <tr·class="separator:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a0d3206c93aa8be3c64fc69734a2d2fc0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">shortcutTableView.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">shortcutTableView.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="adedde5d4de46d4f458aab7342300e768"·name="adedde5d4de46d4f458aab7342300e768"></a>121 <a·id="adedde5d4de46d4f458aab7342300e768"·name="adedde5d4de46d4f458aab7342300e768"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#adedde5d4de46d4f458aab7342300e768">&#9670;&#160;</a></span>ShortcutTableView()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#adedde5d4de46d4f458aab7342300e768">&#9670;&#160;</a></span>ShortcutTableView()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
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96 Typedefs</h2></td></tr>96 Typedefs</h2></td></tr>
97 <tr·class="memitem:gabcaed964b8024523cc18acee3da21ec4"·id="r_gabcaed964b8024523cc18acee3da21ec4"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dc/df9/a05542.html">Spectrum</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>,·<a·class="el"·href="../../da/da2/a02217.html#ab46247e29a43a1a1d46ba14179939626">Peak1D</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a02181.html#gabcaed964b8024523cc18acee3da21ec4">BALL::Spectrum1D</a></td></tr>97 <tr·class="memitem:gabcaed964b8024523cc18acee3da21ec4"·id="r_gabcaed964b8024523cc18acee3da21ec4"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dc/df9/a05542.html">Spectrum</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>,·<a·class="el"·href="../../da/da2/a02217.html#ab46247e29a43a1a1d46ba14179939626">Peak1D</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a02181.html#gabcaed964b8024523cc18acee3da21ec4">BALL::Spectrum1D</a></td></tr>
98 <tr·class="memdesc:gabcaed964b8024523cc18acee3da21ec4"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">One-dimensional·spectrum.··<br·/></td></tr>98 <tr·class="memdesc:gabcaed964b8024523cc18acee3da21ec4"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">One-dimensional·spectrum.··<br·/></td></tr>
99 <tr·class="separator:gabcaed964b8024523cc18acee3da21ec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:gabcaed964b8024523cc18acee3da21ec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls">100 </table><table·class="memberdecls">
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
102 Functions</h2></td></tr>102 Functions</h2></td></tr>
103 <tr·class="memitem:gada6b196233d4e5313ee8656cb30bac5c"·id="r_gada6b196233d4e5313ee8656cb30bac5c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a02181.html#gada6b196233d4e5313ee8656cb30bac5c">BALL::operator&lt;&lt;</a>·(<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;data,·const·<a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">PeakList1D</a>·&amp;peak_list)</td></tr>103 <tr·class="memitem:gada6b196233d4e5313ee8656cb30bac5c"·id="r_gada6b196233d4e5313ee8656cb30bac5c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a02181.html#gada6b196233d4e5313ee8656cb30bac5c">BALL::operator&lt;&lt;</a>·(<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;data,·const·<a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">PeakList1D</a>·&amp;peak_list)</td></tr>
104 <tr·class="separator:gada6b196233d4e5313ee8656cb30bac5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:gada6b196233d4e5313ee8656cb30bac5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <h2·class="groupheader">Typedef·Documentation</h2>107 <h2·class="groupheader">Typedef·Documentation</h2>
108 <a·id="gabcaed964b8024523cc18acee3da21ec4"·name="gabcaed964b8024523cc18acee3da21ec4"></a>108 <a·id="gabcaed964b8024523cc18acee3da21ec4"·name="gabcaed964b8024523cc18acee3da21ec4"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#gabcaed964b8024523cc18acee3da21ec4">&#9670;&#160;</a></span>Spectrum1D</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#gabcaed964b8024523cc18acee3da21ec4">&#9670;&#160;</a></span>Spectrum1D</h2>
  
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116 ········</tr>116 ········</tr>
117 ······</table>117 ······</table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p>One-dimensional·spectrum.·</p>119 <p>One-dimensional·spectrum.·</p>
120 <p>Convenience·typedefs·</p>120 <p>Convenience·typedefs·</p>
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00319">319</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">spectrum.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d3a/a01622_source.html#l00319">319</a>·of·file·<a·class="el"·href="../../d1/d3a/a01622_source.html">spectrum.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <h2·class="groupheader">Function·Documentation</h2>124 <h2·class="groupheader">Function·Documentation</h2>
125 <a·id="gada6b196233d4e5313ee8656cb30bac5c"·name="gada6b196233d4e5313ee8656cb30bac5c"></a>125 <a·id="gada6b196233d4e5313ee8656cb30bac5c"·name="gada6b196233d4e5313ee8656cb30bac5c"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#gada6b196233d4e5313ee8656cb30bac5c">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#gada6b196233d4e5313ee8656cb30bac5c">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
130 ········<tr>130 ········<tr>
131 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;·BALL::operator&lt;&lt;·</td>131 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·const·<a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;·BALL::operator&lt;&lt;·</td>
132 ··········<td>(</td>132 ··········<td>(</td>
133 ··········<td·class="paramtype"><a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td>133 ··········<td·class="paramtype"><a·class="el"·href="../../da/da2/a02217.html#a0ca39fb3905470ab351c63a2765fffa0">RegularData1D</a>·&amp;&#160;</td>
134 ··········<td·class="paramname"><em>data</em>,·</td>134 ··········<td·class="paramname"><em>data</em>,·</td>
135 ········</tr>135 ········</tr>
136 ········<tr>136 ········<tr>
137 ··········<td·class="paramkey"></td>137 ··········<td·class="paramkey"></td>
138 ··········<td></td>138 ··········<td></td>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d2/d78/a03431.html">List·of·all·members</a>··</div>79 <a·href="../../d2/d78/a03431.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;·Struct·Template·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;·Struct·Template·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a6e86348c9d62bdf71404e88c54f36bbd"·id="r_a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a6e86348c9d62bdf71404e88c54f36bbd">EditableEdgeCopier</a>·(const·Graph1·&amp;,·Graph2·&amp;g2)</td></tr>87 <tr·class="memitem:a6e86348c9d62bdf71404e88c54f36bbd"·id="r_a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a6e86348c9d62bdf71404e88c54f36bbd">EditableEdgeCopier</a>·(const·Graph1·&amp;,·Graph2·&amp;g2)</td></tr>
88 <tr·class="separator:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a6e86348c9d62bdf71404e88c54f36bbd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"·id="r_a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplParams"·colspan="2">template&lt;typename·Edge1·,·typename·Edge2·&gt;·</td></tr>89 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"·id="r_a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplParams"·colspan="2">template&lt;typename·Edge1·,·typename·Edge2·&gt;·</td></tr>
90 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a38fa8102ffc43cca67abc45a8a309713">operator()</a>·(const·Edge1·&amp;e1,·Edge2·&amp;e2)·const</td></tr>90 <tr·class="memitem:a38fa8102ffc43cca67abc45a8a309713"><td·class="memTemplItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a38fa8102ffc43cca67abc45a8a309713">operator()</a>·(const·Edge1·&amp;e1,·Edge2·&amp;e2)·const</td></tr>
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95 Public·Attributes</h2></td></tr>95 Public·Attributes</h2></td></tr>
96 <tr·class="memitem:a7e46700896326bbae77e561c852be3a1"·id="r_a7e46700896326bbae77e561c852be3a1"><td·class="memItemLeft"·align="right"·valign="top">boost::property_map&lt;·Graph2,·<a·class="el"·href="../../d6/d41/a02222.html#a7ea3d66609d49526a0f1d9e41acbfe45">boost::edge_orig_ptr_t</a>·&gt;::type&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a7e46700896326bbae77e561c852be3a1">edge_orig_map</a></td></tr>96 <tr·class="memitem:a7e46700896326bbae77e561c852be3a1"·id="r_a7e46700896326bbae77e561c852be3a1"><td·class="memItemLeft"·align="right"·valign="top">boost::property_map&lt;·Graph2,·<a·class="el"·href="../../d6/d41/a02222.html#a7ea3d66609d49526a0f1d9e41acbfe45">boost::edge_orig_ptr_t</a>·&gt;::type&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d85/a03434.html#a7e46700896326bbae77e561c852be3a1">edge_orig_map</a></td></tr>
97 <tr·class="separator:a7e46700896326bbae77e561c852be3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a7e46700896326bbae77e561c852be3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·Graph1,·typename·Graph2&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·Graph1,·typename·Graph2&gt;<br·/>
101 struct·BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;</div>101 struct·BALL::GRAPH::EditableEdgeCopier&lt;·Graph1,·Graph2·&gt;</div>
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a6e86348c9d62bdf71404e88c54f36bbd"·name="a6e86348c9d62bdf71404e88c54f36bbd"></a>104 <a·id="a6e86348c9d62bdf71404e88c54f36bbd"·name="a6e86348c9d62bdf71404e88c54f36bbd"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e86348c9d62bdf71404e88c54f36bbd">&#9670;&#160;</a></span>EditableEdgeCopier()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e86348c9d62bdf71404e88c54f36bbd">&#9670;&#160;</a></span>EditableEdgeCopier()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <div·class="memtemplate">108 <div·class="memtemplate">
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133 ··</td>133 ··</td>
134 ··<td·class="mlabels-right">134 ··<td·class="mlabels-right">
135 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>135 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
136 ··</tr>136 ··</tr>
137 </table>137 </table>
138 </div><div·class="memdoc">138 </div><div·class="memdoc">
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
140 </div>140 </div>
141 </div>141 </div>
142 <h2·class="groupheader">Member·Function·Documentation</h2>142 <h2·class="groupheader">Member·Function·Documentation</h2>
143 <a·id="a38fa8102ffc43cca67abc45a8a309713"·name="a38fa8102ffc43cca67abc45a8a309713"></a>143 <a·id="a38fa8102ffc43cca67abc45a8a309713"·name="a38fa8102ffc43cca67abc45a8a309713"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a38fa8102ffc43cca67abc45a8a309713">&#9670;&#160;</a></span>operator()()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a38fa8102ffc43cca67abc45a8a309713">&#9670;&#160;</a></span>operator()()</h2>
  
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176 ··</td>176 ··</td>
177 ··<td·class="mlabels-right">177 ··<td·class="mlabels-right">
178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>178 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
179 ··</tr>179 ··</tr>
180 </table>180 </table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <h2·class="groupheader">Member·Data·Documentation</h2>185 <h2·class="groupheader">Member·Data·Documentation</h2>
186 <a·id="a7e46700896326bbae77e561c852be3a1"·name="a7e46700896326bbae77e561c852be3a1"></a>186 <a·id="a7e46700896326bbae77e561c852be3a1"·name="a7e46700896326bbae77e561c852be3a1"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e46700896326bbae77e561c852be3a1">&#9670;&#160;</a></span>edge_orig_map</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e46700896326bbae77e561c852be3a1">&#9670;&#160;</a></span>edge_orig_map</h2>
  
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203 ··</td>203 ··</td>
204 ··<td·class="mlabels-right">204 ··<td·class="mlabels-right">
205 <span·class="mlabels"><span·class="mlabel">mutable</span></span>··</td>205 <span·class="mlabels"><span·class="mlabel">mutable</span></span>··</td>
206 ··</tr>206 ··</tr>
207 </table>207 </table>
208 </div><div·class="memdoc">208 </div><div·class="memdoc">
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
210 </div>210 </div>
211 </div>211 </div>
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215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8215 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Local·class·for·handling·options.··82 <p>Local·class·for·handling·options.··
83 ·<a·href="../../d5/d87/a05118.html#details">More...</a></p>83 ·<a·href="../../d5/d87/a05118.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p>Local·class·for·handling·options.·</p>92 <div·class="textblock"><p>Local·class·for·handling·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">snapShotManager.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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97 <div·class="memitem">97 <div·class="memitem">
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99 <table·class="mlabels">99 <table·class="mlabels">
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118 <dl·class="params"><dt>Parameters</dt><dd>118 <dl·class="params"><dt>Parameters</dt><dd>
119 ··<table·class="params">119 ··<table·class="params">
120 ····<tr><td·class="paramname">frequency</td><td>integer·</td></tr>120 ····<tr><td·class="paramname">frequency</td><td>integer·</td></tr>
121 ··</table>121 ··</table>
122 ··</dd>122 ··</dd>
123 </dl>123 </dl>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">snapShotManager.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
  
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110 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dc6/a04462.html">BALL::XYZFile</a></td></tr>111 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dc6/a04462.html">BALL::XYZFile</a></td></tr>
112 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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115 Functions</h2></td></tr>115 Functions</h2></td></tr>
116 <tr·class="memitem:ga2e49e2a082d69dcff77337f45a4198ef"·id="r_ga2e49e2a082d69dcff77337f45a4198ef"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#a17763ef0b5675aee6de82ba9f02d1039">HashIndex</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d88/a02141.html#ga2e49e2a082d69dcff77337f45a4198ef">BALL::Hash</a>·(const·<a·class="el"·href="../../d1/db3/a04402.html#ab0f8b9e1c49bf63c258970da9d05b43b">PDBFile::ResidueQuadruple</a>·&amp;quadruple)</td></tr>116 <tr·class="memitem:ga2e49e2a082d69dcff77337f45a4198ef"·id="r_ga2e49e2a082d69dcff77337f45a4198ef"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#a17763ef0b5675aee6de82ba9f02d1039">HashIndex</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d88/a02141.html#ga2e49e2a082d69dcff77337f45a4198ef">BALL::Hash</a>·(const·<a·class="el"·href="../../d1/db3/a04402.html#ab0f8b9e1c49bf63c258970da9d05b43b">PDBFile::ResidueQuadruple</a>·&amp;quadruple)</td></tr>
117 <tr·class="separator:ga2e49e2a082d69dcff77337f45a4198ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:ga2e49e2a082d69dcff77337f45a4198ef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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119 <tr·class="separator:gae6c9cc88925cc6a5cab8ef7fc8126983"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:gae6c9cc88925cc6a5cab8ef7fc8126983"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <h2·class="groupheader">Function·Documentation</h2>122 <h2·class="groupheader">Function·Documentation</h2>
123 <a·id="ga2e49e2a082d69dcff77337f45a4198ef"·name="ga2e49e2a082d69dcff77337f45a4198ef"></a>123 <a·id="ga2e49e2a082d69dcff77337f45a4198ef"·name="ga2e49e2a082d69dcff77337f45a4198ef"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#ga2e49e2a082d69dcff77337f45a4198ef">&#9670;&#160;</a></span>Hash()</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ga2e49e2a082d69dcff77337f45a4198ef">&#9670;&#160;</a></span>Hash()</h2>
  
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130 ······<table·class="memname">130 ······<table·class="memname">
131 ········<tr>131 ········<tr>
132 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#a17763ef0b5675aee6de82ba9f02d1039">HashIndex</a>·BALL::Hash·</td>132 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../da/da2/a02217.html#a17763ef0b5675aee6de82ba9f02d1039">HashIndex</a>·BALL::Hash·</td>
133 ··········<td>(</td>133 ··········<td>(</td>
134 ··········<td·class="paramtype">const·<a·class="el"·href="../../d1/db3/a04402.html#ab0f8b9e1c49bf63c258970da9d05b43b">PDBFile::ResidueQuadruple</a>·&amp;&#160;</td>134 ··········<td·class="paramtype">const·<a·class="el"·href="../../d1/db3/a04402.html#ab0f8b9e1c49bf63c258970da9d05b43b">PDBFile::ResidueQuadruple</a>·&amp;&#160;</td>
135 ··········<td·class="paramname"><em>quadruple</em></td><td>)</td>135 ··········<td·class="paramname"><em>quadruple</em></td><td>)</td>
136 ··········<td></td>136 ··········<td></td>
137 ········</tr>137 ········</tr>
138 ······</table>138 ······</table>
139 ··</td>139 ··</td>
140 ··<td·class="mlabels-right">140 ··<td·class="mlabels-right">
141 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>141 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
142 ··</tr>142 ··</tr>
143 </table>143 </table>
144 </div><div·class="memdoc">144 </div><div·class="memdoc">
145 <p>Hash·</p>145 <p>Hash·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df4/a01322_source.html#l00910">910</a>·of·file·<a·class="el"·href="../../d5/df4/a01322_source.html">PDBFile.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d92/a00929_source.html#l00910">910</a>·of·file·<a·class="el"·href="../../dc/d92/a00929_source.html">PDBFile.h</a>.</p>
  
147 </div>147 </div>
148 </div>148 </div>
149 <a·id="gae6c9cc88925cc6a5cab8ef7fc8126983"·name="gae6c9cc88925cc6a5cab8ef7fc8126983"></a>149 <a·id="gae6c9cc88925cc6a5cab8ef7fc8126983"·name="gae6c9cc88925cc6a5cab8ef7fc8126983"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#gae6c9cc88925cc6a5cab8ef7fc8126983">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#gae6c9cc88925cc6a5cab8ef7fc8126983">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
152 <div·class="memproto">152 <div·class="memproto">
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155 ··<td·class="mlabels-left">155 ··<td·class="mlabels-left">
156 ······<table·class="memname">156 ······<table·class="memname">
157 ········<tr>157 ········<tr>
158 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;·BALL::operator&lt;&lt;·</td>158 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;·BALL::operator&lt;&lt;·</td>
159 ··········<td>(</td>159 ··········<td>(</td>
160 ··········<td·class="paramtype">std::ostream·&amp;&#160;</td>160 ··········<td·class="paramtype">std::ostream·&amp;&#160;</td>
161 ··········<td·class="paramname"><em>s</em>,·</td>161 ··········<td·class="paramname"><em>s</em>,·</td>
162 ········</tr>162 ········</tr>
163 ········<tr>163 ········<tr>
164 ··········<td·class="paramkey"></td>164 ··········<td·class="paramkey"></td>
165 ··········<td></td>165 ··········<td></td>
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180 ··<td·class="mlabels-right">180 ··<td·class="mlabels-right">
181 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>181 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
182 ··</tr>182 ··</tr>
183 </table>183 </table>
184 </div><div·class="memdoc">184 </div><div·class="memdoc">
185 <p>Operator·&lt;&lt;·</p>185 <p>Operator·&lt;&lt;·</p>
  
186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df4/a01322_source.html#l00920">920</a>·of·file·<a·class="el"·href="../../d5/df4/a01322_source.html">PDBFile.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d92/a00929_source.html#l00920">920</a>·of·file·<a·class="el"·href="../../dc/d92/a00929_source.html">PDBFile.h</a>.</p>
  
187 </div>187 </div>
188 </div>188 </div>
189 </div><!--·contents·-->189 </div><!--·contents·-->
190 <!--·start·footer·part·-->190 <!--·start·footer·part·-->
191 <hr·class="footer"/><address·class="footer"><small>191 <hr·class="footer"/><address·class="footer"><small>
192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d64/a05739.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d64/a05739.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPLSModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KPLSModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/dad/a00941_source.html">BALL/QSAR/kplsModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/dbc/a00395_source.html">BALL/QSAR/kplsModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::KPLSModel:</div>83 Inheritance·diagram·for·BALL::QSAR::KPLSModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/d88/a05742.png"·usemap="#BALL::QSAR::KPLSModel_map"·alt=""/>86 ··<img·src="../../d5/d88/a05742.png"·usemap="#BALL::QSAR::KPLSModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::KPLSModel_map"·name="BALL::QSAR::KPLSModel_map">87 ··<map·id="BALL::QSAR::KPLSModel_map"·name="BALL::QSAR::KPLSModel_map">
88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,207,192"/>
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305 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>305 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
306 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>306 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
307 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>307 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
308 </table>308 </table>
309 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>309 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
310 <div·class="textblock"><p>kernel·partial-least-squares·class·</p>310 <div·class="textblock"><p>kernel·partial-least-squares·class·</p>
  
311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dad/a00941_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d6/dad/a00941_source.html">kplsModel.h</a>.</p>311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
312 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>312 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
313 <a·id="ac4091971c4b5b7da0865847ba772d3fd"·name="ac4091971c4b5b7da0865847ba772d3fd"></a>313 <a·id="ac4091971c4b5b7da0865847ba772d3fd"·name="ac4091971c4b5b7da0865847ba772d3fd"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4091971c4b5b7da0865847ba772d3fd">&#9670;&#160;</a></span>KPLSModel()·<span·class="overload">[1/4]</span></h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4091971c4b5b7da0865847ba772d3fd">&#9670;&#160;</a></span>KPLSModel()·<span·class="overload">[1/4]</span></h2>
  
315 <div·class="memitem">315 <div·class="memitem">
316 <div·class="memproto">316 <div·class="memproto">
317 ······<table·class="memname">317 ······<table·class="memname">
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659 ··</td>659 ··</td>
660 ··<td·class="mlabels-right">660 ··<td·class="mlabels-right">
661 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>661 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
662 ··</tr>662 ··</tr>
663 </table>663 </table>
664 </div><div·class="memdoc">664 </div><div·class="memdoc">
  
665 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dad/a00941_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d6/dad/a00941_source.html">kplsModel.h</a>.</p>665 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
  
666 </div>666 </div>
667 </div>667 </div>
668 <a·id="ab1f3a1cce7cbf0f438213ff9850a19f8"·name="ab1f3a1cce7cbf0f438213ff9850a19f8"></a>668 <a·id="ab1f3a1cce7cbf0f438213ff9850a19f8"·name="ab1f3a1cce7cbf0f438213ff9850a19f8"></a>
669 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1f3a1cce7cbf0f438213ff9850a19f8">&#9670;&#160;</a></span>U_</h2>669 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1f3a1cce7cbf0f438213ff9850a19f8">&#9670;&#160;</a></span>U_</h2>
  
670 <div·class="memitem">670 <div·class="memitem">
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683 ··</td>683 ··</td>
684 ··<td·class="mlabels-right">684 ··<td·class="mlabels-right">
685 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>685 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
686 ··</tr>686 ··</tr>
687 </table>687 </table>
688 </div><div·class="memdoc">688 </div><div·class="memdoc">
  
689 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dad/a00941_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d6/dad/a00941_source.html">kplsModel.h</a>.</p>689 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dbc/a00395_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../db/dbc/a00395_source.html">kplsModel.h</a>.</p>
  
690 </div>690 </div>
691 </div>691 </div>
692 </div><!--·contents·-->692 </div><!--·contents·-->
693 <!--·start·footer·part·-->693 <!--·start·footer·part·-->
694 <hr·class="footer"/><address·class="footer"><small>694 <hr·class="footer"/><address·class="footer"><small>
695 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8695 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·rescorer.h·File·Reference</title>8 <title>BALL:·lipophilic.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rescorer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">lipophilic.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01316_source.html">BALL/FORMAT/commandlineParser.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
88 </div>84 </div>
89 <p><a·href="../../d5/d8b/a02060_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/d8b/a02060_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">86 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
92 Classes</h2></td></tr>88 Classes</h2></td></tr>
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html">BALL::Rescorer</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d44/a06302.html">BALL::Lipophilic</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d71/a06306.html">BALL::Lipophilic::Option</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dbe/a06310.html">BALL::Lipophilic::Default</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
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97 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d42/a05127.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d42/a05127.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TypenameRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TypenameRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d2d/a01625_source.html">BALL/MOLMEC/COMMON/typenameRuleProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/MOLMEC/COMMON/typenameRuleProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TypenameRuleProcessor:</div>84 Inheritance·diagram·for·BALL::TypenameRuleProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/d8c/a05130.png"·usemap="#BALL::TypenameRuleProcessor_map"·alt=""/>87 ··<img·src="../../d5/d8c/a05130.png"·usemap="#BALL::TypenameRuleProcessor_map"·alt=""/>
88 ··<map·id="BALL::TypenameRuleProcessor_map"·name="BALL::TypenameRuleProcessor_map">88 ··<map·id="BALL::TypenameRuleProcessor_map"·name="BALL::TypenameRuleProcessor_map">
89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>
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163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>
165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p>Typename·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>168 <div·class="textblock"><p>Typename·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d2d/a01625_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d2d/a01625_source.html">typenameRuleProcessor.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d09/a00077_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d1/d09/a00077_source.html">typenameRuleProcessor.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="ad1e03548ec301e8b978b8f8788681740"·name="ad1e03548ec301e8b978b8f8788681740"></a>171 <a·id="ad1e03548ec301e8b978b8f8788681740"·name="ad1e03548ec301e8b978b8f8788681740"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1e03548ec301e8b978b8f8788681740">&#9670;&#160;</a></span>TypenameRuleProcessor()·<span·class="overload">[1/3]</span></h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1e03548ec301e8b978b8f8788681740">&#9670;&#160;</a></span>TypenameRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
173 <div·class="memitem">173 <div·class="memitem">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../da/d5b/a06435.html">List·of·all·members</a>··</div>78 <a·href="../../da/d5b/a06435.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SLICKEnergy·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SLICKEnergy·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SLICKEnergy:</div>84 Inheritance·diagram·for·BALL::SLICKEnergy:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/d8c/a06438.png"·usemap="#BALL::SLICKEnergy_map"·alt=""/>87 ··<img·src="../../d5/d8c/a06438.png"·usemap="#BALL::SLICKEnergy_map"·alt=""/>
88 ··<map·id="BALL::SLICKEnergy_map"·name="BALL::SLICKEnergy_map">88 ··<map·id="BALL::SLICKEnergy_map"·name="BALL::SLICKEnergy_map">
89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,142,24"/>
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423 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>423 <tr·class="separator:a197f72cc13fbc6595eaf67b7544c6f7e·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
424 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>424 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
425 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>425 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
426 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>426 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
427 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>427 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
428 </table>428 </table>
429 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>429 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
430 <div·class="textblock"><p><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d6/d94/a02033.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>}·</p>430 <div·class="textblock"><p><a·class="el"·href="../../d5/d8c/a06438.html">SLICKEnergy</a>·scoring·function·{\bf·Definition:}·\URL{<a·class="el"·href="../../d8/d98/a02009.html">BALL/SCORING/FUNCTIONS/slickEnergy.h</a>}·</p>
  
431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d94/a02033_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d6/d94/a02033_source.html">slickEnergy.h</a>.</p>431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d98/a02009_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/d98/a02009_source.html">slickEnergy.h</a>.</p>
432 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>432 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
433 <a·id="ab20a0790fc5a1a99f3e0d7e15de852f7"·name="ab20a0790fc5a1a99f3e0d7e15de852f7"></a>433 <a·id="ab20a0790fc5a1a99f3e0d7e15de852f7"·name="ab20a0790fc5a1a99f3e0d7e15de852f7"></a>
434 <h2·class="memtitle"><span·class="permalink"><a·href="#ab20a0790fc5a1a99f3e0d7e15de852f7">&#9670;&#160;</a></span>SLICKEnergy()·<span·class="overload">[1/4]</span></h2>434 <h2·class="memtitle"><span·class="permalink"><a·href="#ab20a0790fc5a1a99f3e0d7e15de852f7">&#9670;&#160;</a></span>SLICKEnergy()·<span·class="overload">[1/4]</span></h2>
  
435 <div·class="memitem">435 <div·class="memitem">
436 <div·class="memproto">436 <div·class="memproto">
437 ······<table·class="memname">437 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../df/d51/a05491.html">List·of·all·members</a>··</div>77 <a·href="../../df/d51/a05491.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SimpleExperiment1D·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/d85/a02181.html">NMR·spectra·and·related·classes</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SimpleExperiment1D·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/d85/a02181.html">NMR·spectra·and·related·classes</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/NMR/experiment.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/NMR/experiment.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::SimpleExperiment1D:</div>83 Inheritance·diagram·for·BALL::SimpleExperiment1D:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/d90/a05494.png"·usemap="#BALL::SimpleExperiment1D_map"·alt=""/>86 ··<img·src="../../d5/d90/a05494.png"·usemap="#BALL::SimpleExperiment1D_map"·alt=""/>
87 ··<map·id="BALL::SimpleExperiment1D_map"·name="BALL::SimpleExperiment1D_map">87 ··<map·id="BALL::SimpleExperiment1D_map"·name="BALL::SimpleExperiment1D_map">
88 <area·href="../../d2/d30/a05490.html"·alt="BALL::Experiment&lt;·PeakListType·&gt;"·shape="rect"·coords="0,168,316,192"/>88 <area·href="../../d2/d30/a05490.html"·alt="BALL::Experiment&lt;·PeakListType·&gt;"·shape="rect"·coords="0,168,316,192"/>
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203 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"·id="r_ac11c2bfe6d81e9c47aa2400f58750bd2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>203 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"·id="r_ac11c2bfe6d81e9c47aa2400f58750bd2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>
204 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 </table>205 </table>
206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>206 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
207 <div·class="textblock"><p>Simple·1D·NMR·experiment·class.·This·experiment·extracts·all·atoms·with·an·assigned·shift·value,·which·match·a·given·kernel·expression.·The·default·expression·is·<b>"true()"</b>,·so·by·default·all·atoms·with·an·assigned·shift·value·are·added·to·the·peak·list.·The·default·peak·intensity·and·width·are·user-defined·(·<a·class="el"·href="../../d2/d30/a05490.html#aee9a269710ac9e85baee46de13685fa5">setDefaultPeak·</a>·).·</p>207 <div·class="textblock"><p>Simple·1D·NMR·experiment·class.·This·experiment·extracts·all·atoms·with·an·assigned·shift·value,·which·match·a·given·kernel·expression.·The·default·expression·is·<b>"true()"</b>,·so·by·default·all·atoms·with·an·assigned·shift·value·are·added·to·the·peak·list.·The·default·peak·intensity·and·width·are·user-defined·(·<a·class="el"·href="../../d2/d30/a05490.html#aee9a269710ac9e85baee46de13685fa5">setDefaultPeak·</a>·).·</p>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">experiment.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">experiment.h</a>.</p>
209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>209 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
210 <a·id="aa874d6940cbfb3ca8983c2265821dac3"·name="aa874d6940cbfb3ca8983c2265821dac3"></a>210 <a·id="aa874d6940cbfb3ca8983c2265821dac3"·name="aa874d6940cbfb3ca8983c2265821dac3"></a>
211 <h2·class="memtitle"><span·class="permalink"><a·href="#aa874d6940cbfb3ca8983c2265821dac3">&#9670;&#160;</a></span>SimpleExperiment1D()·<span·class="overload">[1/2]</span></h2>211 <h2·class="memtitle"><span·class="permalink"><a·href="#aa874d6940cbfb3ca8983c2265821dac3">&#9670;&#160;</a></span>SimpleExperiment1D()·<span·class="overload">[1/2]</span></h2>
  
212 <div·class="memitem">212 <div·class="memitem">
213 <div·class="memproto">213 <div·class="memproto">
214 ······<table·class="memname">214 ······<table·class="memname">
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385 ··</td>385 ··</td>
386 ··<td·class="mlabels-right">386 ··<td·class="mlabels-right">
387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
388 ··</tr>388 ··</tr>
389 </table>389 </table>
390 </div><div·class="memdoc">390 </div><div·class="memdoc">
  
391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">experiment.h</a>.</p>391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">experiment.h</a>.</p>
  
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393 </div>393 </div>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d37/a05783.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d37/a05783.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NonLinearModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::NonLinearModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::NonLinearModel:</div>83 Inheritance·diagram·for·BALL::QSAR::NonLinearModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/d95/a05786.png"·usemap="#BALL::QSAR::NonLinearModel_map"·alt=""/>86 ··<img·src="../../d5/d95/a05786.png"·usemap="#BALL::QSAR::NonLinearModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::NonLinearModel_map"·name="BALL::QSAR::NonLinearModel_map">87 ··<map·id="BALL::QSAR::NonLinearModel_map"·name="BALL::QSAR::NonLinearModel_map">
88 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="247,56,435,80"/>88 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="247,56,435,80"/>
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238 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>238 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
239 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>239 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
240 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>240 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
241 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>241 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
242 </table>242 </table>
243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
244 <div·class="textblock">244 <div·class="textblock">
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">nonlinearModel.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">nonlinearModel.h</a>.</p>
246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
247 <a·id="a3335b888885871990a1aefda7fb4990d"·name="a3335b888885871990a1aefda7fb4990d"></a>247 <a·id="a3335b888885871990a1aefda7fb4990d"·name="a3335b888885871990a1aefda7fb4990d"></a>
248 <h2·class="memtitle"><span·class="permalink"><a·href="#a3335b888885871990a1aefda7fb4990d">&#9670;&#160;</a></span>NonLinearModel()</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#a3335b888885871990a1aefda7fb4990d">&#9670;&#160;</a></span>NonLinearModel()</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
250 <div·class="memproto">250 <div·class="memproto">
251 ······<table·class="memname">251 ······<table·class="memname">
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304 </div><div·class="memdoc">304 </div><div·class="memdoc">
305 <p>do·nothing·for·non-kernel·models.·<a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·on·the·other·hand·overloads·this·function...·</p>305 <p>do·nothing·for·non-kernel·models.·<a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·on·the·other·hand·overloads·this·function...·</p>
  
306 <p>Implements·<a·class="el"·href="../../dd/d9e/a05838.html#aebeaca838558b1c80ccaccb1adf29b86">BALL::QSAR::RegressionModel</a>.</p>306 <p>Implements·<a·class="el"·href="../../dd/d9e/a05838.html#aebeaca838558b1c80ccaccb1adf29b86">BALL::QSAR::RegressionModel</a>.</p>
  
307 <p>Reimplemented·in·<a·class="el"·href="../../db/dd1/a05730.html#a55ac7e6140e57af90a1ecca72bb89621">BALL::QSAR::KernelModel</a>.</p>307 <p>Reimplemented·in·<a·class="el"·href="../../db/dd1/a05730.html#a55ac7e6140e57af90a1ecca72bb89621">BALL::QSAR::KernelModel</a>.</p>
  
308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d3c/a00971_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d3c/a00971_source.html">nonlinearModel.h</a>.</p>308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">nonlinearModel.h</a>.</p>
  
309 </div>309 </div>
310 </div>310 </div>
311 </div><!--·contents·-->311 </div><!--·contents·-->
312 <!--·start·footer·part·-->312 <!--·start·footer·part·-->
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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 78 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">peptideCapProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">composedEnergyProcessor.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d9/d63/a01877_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d5/d99/a01901_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/d99/a01901_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d66/a07010.html">BALL::PeptideCapProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/db2/a03822.html">BALL::ComposedEnergyProcessor</a></td></tr>
93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··<a·href="../../db/d66/a07010.html#details">More...</a><br·/></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 98 Typedefs</h2></td></tr>
 99 <tr·class="memitem:ga808e2bd9a407e4eef17cc493303bbbad"·id="r_ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·<a·class="el"·href="../../de/db6/a03826.html">EnergyProcessor</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga808e2bd9a407e4eef17cc493303bbbad">BALL::EnergyProcessorList</a></td></tr>
 100 <tr·class="separator:ga808e2bd9a407e4eef17cc493303bbbad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>101 </table>
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78 ··<div·class="headertitle"><div·class="title">aromaticRingStacking.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">fermiBaseFunction.h·File·Reference</div></div>
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80 <div·class="contents">80 <div·class="contents">
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83 <code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code><br·/> 
87 </div>82 </div>
88 <p><a·href="../../d5/da1/a01988_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/da1/a01988_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd1/a00914_source.html">BALL/QSAR/allModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
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83 <p><a·href="../../d5/da3/a00953_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/da3/a00953_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">GAMESSDatFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">assignBondOrderResultsDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/df6/a01670_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderResultsDialog.h&gt;</code><br·/>
 85 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
 86 <code>#include·&lt;map&gt;</code><br·/>
83 </div>87 </div>
84 <p><a·href="../../d5/da7/a01283_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d5/da7/a01283_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">89 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
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98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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101 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">triangulatedSAS.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">sdGenerator.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d78/a01745_source.html">BALL/STRUCTURE/SASEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
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84 <code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dc/d3e/a01712_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>
92 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;list&gt;</code><br·/> 
94 <code>#include·&lt;vector&gt;</code><br·/>85 <code>#include·&lt;vector&gt;</code><br·/>
 86 <code>#include·&lt;queue&gt;</code><br·/>
95 </div>87 </div>
96 <p><a·href="../../d5/da8/a01865_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d5/da8/a01865_source.html">Go·to·the·source·code·of·this·file.</a></p>
97 <table·class="memberdecls">89 <table·class="memberdecls">
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
99 Classes</h2></td></tr>91 Classes</h2></td></tr>
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d35/a07306.html">BALL::TriangulatedSAS</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d5f/a07142.html">BALL::SDGenerator</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html">BALL::SDGenerator::Option</a></td></tr>
 95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··<a·href="../../de/d85/a07146.html#details">More...</a><br·/></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html">BALL::SDGenerator::Default</a></td></tr>
 98 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../df/ddd/a07150.html#details">More...</a><br·/></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html">BALL::SASTriangulator</a></td></tr>100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d77/a07154.html">BALL::SDGenerator::AtomComparator</a></td></tr>
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table><table·class="memberdecls">102 </table><table·class="memberdecls">
105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
106 Namespaces</h2></td></tr>104 Namespaces</h2></td></tr>
107 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>107 </table>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/de2/a03299.html">List·of·all·members</a>··</div>77 <a·href="../../d8/de2/a03299.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Object·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Object·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d35/a01400_source.html">BALL/CONCEPT/object.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Object:</div>83 Inheritance·diagram·for·BALL::Object:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/da8/a03302.png"·usemap="#BALL::Object_map"·alt=""/>86 ··<img·src="../../d5/da8/a03302.png"·usemap="#BALL::Object_map"·alt=""/>
87 ··<map·id="BALL::Object_map"·name="BALL::Object_map">87 ··<map·id="BALL::Object_map"·name="BALL::Object_map">
88 <area·href="../../d9/d4f/a03206.html"·alt="BALL::AutoDeletable"·shape="rect"·coords="115,0,336,24"/>88 <area·href="../../d9/d4f/a03206.html"·alt="BALL::AutoDeletable"·shape="rect"·coords="115,0,336,24"/>
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173 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>173 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
174 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>174 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
175 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>175 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
176 </table>176 </table>
177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
178 <div·class="textblock"><p>Generic·object·class.·This·class·provides·unique·handles·for·every·object·that·is·an·instance·of·a·derived·class·of·object.·Together·with·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·object·manager·this·class·also·provides·a·double·linked·list·of·all·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>178 <div·class="textblock"><p>Generic·object·class.·This·class·provides·unique·handles·for·every·object·that·is·an·instance·of·a·derived·class·of·object.·Together·with·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·object·manager·this·class·also·provides·a·double·linked·list·of·all·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">object.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d7e/a00809_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dd/d7e/a00809_source.html">object.h</a>.</p>
180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
181 <a·id="a040937dec5c156c1fd1d378fc000a559"·name="a040937dec5c156c1fd1d378fc000a559"></a>181 <a·id="a040937dec5c156c1fd1d378fc000a559"·name="a040937dec5c156c1fd1d378fc000a559"></a>
182 <h2·class="memtitle"><span·class="permalink"><a·href="#a040937dec5c156c1fd1d378fc000a559">&#9670;&#160;</a></span>Object()·<span·class="overload">[1/2]</span></h2>182 <h2·class="memtitle"><span·class="permalink"><a·href="#a040937dec5c156c1fd1d378fc000a559">&#9670;&#160;</a></span>Object()·<span·class="overload">[1/2]</span></h2>
  
183 <div·class="memitem">183 <div·class="memitem">
184 <div·class="memproto">184 <div·class="memproto">
185 ······<table·class="memname">185 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d37/a08231.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d37/a08231.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::DisplayListRedeclaration·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::DisplayListRedeclaration·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::DisplayListRedeclaration:</div>84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::DisplayListRedeclaration:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/da9/a08234.png"·usemap="#BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·alt=""/>87 ··<img·src="../../d5/da9/a08234.png"·usemap="#BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·alt=""/>
88 ··<map·id="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·name="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map">88 ··<map·id="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map"·name="BALL::VIEW::GLDisplayList::DisplayListRedeclaration_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,308,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,308,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·that·is·already·defined·is·tried·to·be·redefined·without·being·destroyed·before.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../d5/da9/a08234.html">DisplayListRedeclaration</a>·exception·class.·This·exception·will·be·thrown·when·a·display·list·that·is·already·defined·is·tried·to·be·redefined·without·being·destroyed·before.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a36891c1e91d75294d187530f35693402"·name="a36891c1e91d75294d187530f35693402"></a>147 <a·id="a36891c1e91d75294d187530f35693402"·name="a36891c1e91d75294d187530f35693402"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a36891c1e91d75294d187530f35693402">&#9670;&#160;</a></span>DisplayListRedeclaration()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a36891c1e91d75294d187530f35693402">&#9670;&#160;</a></span>DisplayListRedeclaration()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="../../d2/d04/a04815.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d04/a04815.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::LongDoubleTraits·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::LongDoubleTraits·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
85 Public·Types</h2></td></tr>85 Public·Types</h2></td></tr>
86 <tr·class="memitem:ad4108f5ed2ef68ec84b00a79a6bb14a6"·id="r_ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memItemLeft"·align="right"·valign="top">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">ComplexPrecision</a></td></tr>86 <tr·class="memitem:ad4108f5ed2ef68ec84b00a79a6bb14a6"·id="r_ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memItemLeft"·align="right"·valign="top">typedef·long·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dac/a04818.html#ad4108f5ed2ef68ec84b00a79a6bb14a6">ComplexPrecision</a></td></tr>
87 <tr·class="separator:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ad4108f5ed2ef68ec84b00a79a6bb14a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 ··<div·class="summary">75 ··<div·class="summary">
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78 ··<div·class="headertitle"><div·class="title">raytraceableGrid.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">potential1210.h·File·Reference</div></div>
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80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
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85 <p><a·href="../../d5/db3/a01751_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/db3/a01751_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
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99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
100 <tr·class="memitem:gaed695096cd98f223e7d3f57026097887"·id="r_gaed695096cd98f223e7d3f57026097887"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaed695096cd98f223e7d3f57026097887">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d6/d43/a07122.html">RSFace</a>·&amp;rsface)</td></tr> 
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79 ··<div·class="headertitle"><div·class="title">BALL::RSComputer::ProbePosition·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RSComputer::ProbePosition·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>
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102 ········</tr>102 ········</tr>
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104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
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78 ··<div·class="headertitle"><div·class="title">datasetControl.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">oplsModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d29/a00470_source.html">BALL/QSAR/plsModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d5/db5/a00374_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d5/db5/a00374_source.html">Go·to·the·source·code·of·this·file.</a></p>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d9a/a05795.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d9a/a05795.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TotalPositivePartialCharge·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TotalPositivePartialCharge·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TotalPositivePartialCharge:</div>83 Inheritance·diagram·for·BALL::TotalPositivePartialCharge:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/db7/a05798.png"·usemap="#BALL::TotalPositivePartialCharge_map"·alt=""/>86 ··<img·src="../../d5/db7/a05798.png"·usemap="#BALL::TotalPositivePartialCharge_map"·alt=""/>
87 ··<map·id="BALL::TotalPositivePartialCharge_map"·name="BALL::TotalPositivePartialCharge_map">87 ··<map·id="BALL::TotalPositivePartialCharge_map"·name="BALL::TotalPositivePartialCharge_map">
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183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
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186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p>This·descriptor·adds·up·all·positive·partial·charges·over·all·atoms.·</p>188 <div·class="textblock"><p>This·descriptor·adds·up·all·positive·partial·charges·over·all·atoms.·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/daf/a01019_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../db/daf/a01019_source.html">partialChargeDescriptors.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="ae471ac390a92294047498fa084abb387"·name="ae471ac390a92294047498fa084abb387"></a>191 <a·id="ae471ac390a92294047498fa084abb387"·name="ae471ac390a92294047498fa084abb387"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#ae471ac390a92294047498fa084abb387">&#9670;&#160;</a></span>TotalPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#ae471ac390a92294047498fa084abb387">&#9670;&#160;</a></span>TotalPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·networking.h·File·Reference</title>8 <title>BALL:·pierottiCavFreeEnergyProcessor.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">networking.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pierottiCavFreeEnergyProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 <code>#include·&lt;boost/asio.hpp&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d5/dba/a01940_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/dba/a01940_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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89 Classes</h2></td></tr>88 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html">BALL::TCPIOStream</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d9f/a06554.html">BALL::PierottiCavFreeEnergyProcessor</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d87/a07406.html">BALL::TCPServerThread</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/de2/a06562.html">BALL::PierottiCavFreeEnergyProcessor::Default</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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98 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d9f/a05035.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d9f/a05035.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::CharmmStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::CharmmStretch·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/MOLMEC/CHARMM/charmmStretch.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/MOLMEC/CHARMM/charmmStretch.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::CharmmStretch:</div>83 Inheritance·diagram·for·BALL::CharmmStretch:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/dbd/a05038.png"·usemap="#BALL::CharmmStretch_map"·alt=""/>86 ··<img·src="../../d5/dbd/a05038.png"·usemap="#BALL::CharmmStretch_map"·alt=""/>
87 ··<map·id="BALL::CharmmStretch_map"·name="BALL::CharmmStretch_map">87 ··<map·id="BALL::CharmmStretch_map"·name="BALL::CharmmStretch_map">
88 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>88 <area·href="../../dc/de6/a05126.html"·alt="BALL::StretchComponent"·shape="rect"·coords="0,112,174,136"/>
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237 </table>237 </table>
238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>238 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
239 <div·class="textblock"><p>Charmm·bond·stretch·component·</p>239 <div·class="textblock"><p>Charmm·bond·stretch·component·</p>
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">charmmStretch.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">charmmStretch.h</a>.</p>
241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>241 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
242 <a·id="a700112b3748af0abdc15f779dbafe698"·name="a700112b3748af0abdc15f779dbafe698"></a>242 <a·id="a700112b3748af0abdc15f779dbafe698"·name="a700112b3748af0abdc15f779dbafe698"></a>
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244 <div·class="memitem">244 <div·class="memitem">
245 <div·class="memproto">245 <div·class="memproto">
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81 <a·href="../../da/da3/a07619.html">List·of·all·members</a>··</div>81 <a·href="../../da/da3/a07619.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridVisualizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridVisualizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/VIEW/DIALOGS/gridVisualizationDialog.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01181_source.html">BALL/VIEW/DIALOGS/gridVisualizationDialog.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::GridVisualizationDialog:</div>87 Inheritance·diagram·for·BALL::VIEW::GridVisualizationDialog:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d5/dbe/a07622.png"·usemap="#BALL::VIEW::GridVisualizationDialog_map"·alt=""/>90 ··<img·src="../../d5/dbe/a07622.png"·usemap="#BALL::VIEW::GridVisualizationDialog_map"·alt=""/>
91 ··<map·id="BALL::VIEW::GridVisualizationDialog_map"·name="BALL::VIEW::GridVisualizationDialog_map">91 ··<map·id="BALL::VIEW::GridVisualizationDialog_map"·name="BALL::VIEW::GridVisualizationDialog_map">
92 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,217,24"/>92 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,217,24"/>
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139 <tr·class="separator:a8cf12595f807d138b0aa21da926b29f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a8cf12595f807d138b0aa21da926b29f9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:ada7e6b962da0c71a2b29ae4a12656716"·id="r_ada7e6b962da0c71a2b29ae4a12656716"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html#ada7e6b962da0c71a2b29ae4a12656716">grid_list_</a></td></tr>140 <tr·class="memitem:ada7e6b962da0c71a2b29ae4a12656716"·id="r_ada7e6b962da0c71a2b29ae4a12656716"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../da/da2/a02217.html#a4d66d487ac43a499e5f5ec49ee376671">RegularData3D</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html#ada7e6b962da0c71a2b29ae4a12656716">grid_list_</a></td></tr>
141 <tr·class="separator:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:ada7e6b962da0c71a2b29ae4a12656716"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p>Dialog·for·visualizing·grids.·</p>144 <div·class="textblock"><p>Dialog·for·visualizing·grids.·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">gridVisualizationDialog.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a60c88ecdf5f86e506ecdfb3f202a8853"·name="a60c88ecdf5f86e506ecdfb3f202a8853"></a>147 <a·id="a60c88ecdf5f86e506ecdfb3f202a8853"·name="a60c88ecdf5f86e506ecdfb3f202a8853"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a60c88ecdf5f86e506ecdfb3f202a8853">&#9670;&#160;</a></span>GridVisualizationDialog()·<span·class="overload">[1/2]</span></h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a60c88ecdf5f86e506ecdfb3f202a8853">&#9670;&#160;</a></span>GridVisualizationDialog()·<span·class="overload">[1/2]</span></h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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497 ··</td>497 ··</td>
498 ··<td·class="mlabels-right">498 ··<td·class="mlabels-right">
499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
500 ··</tr>500 ··</tr>
501 </table>501 </table>
502 </div><div·class="memdoc">502 </div><div·class="memdoc">
  
503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">gridVisualizationDialog.h</a>.</p>503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
504 </div>504 </div>
505 </div>505 </div>
506 <a·id="a4c91de3cb09793dd7534637929fd2e60"·name="a4c91de3cb09793dd7534637929fd2e60"></a>506 <a·id="a4c91de3cb09793dd7534637929fd2e60"·name="a4c91de3cb09793dd7534637929fd2e60"></a>
507 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c91de3cb09793dd7534637929fd2e60">&#9670;&#160;</a></span>grid_</h2>507 <h2·class="memtitle"><span·class="permalink"><a·href="#a4c91de3cb09793dd7534637929fd2e60">&#9670;&#160;</a></span>grid_</h2>
  
508 <div·class="memitem">508 <div·class="memitem">
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521 ··</td>521 ··</td>
522 ··<td·class="mlabels-right">522 ··<td·class="mlabels-right">
523 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>523 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
524 ··</tr>524 ··</tr>
525 </table>525 </table>
526 </div><div·class="memdoc">526 </div><div·class="memdoc">
  
527 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">gridVisualizationDialog.h</a>.</p>527 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
528 </div>528 </div>
529 </div>529 </div>
530 <a·id="ada7e6b962da0c71a2b29ae4a12656716"·name="ada7e6b962da0c71a2b29ae4a12656716"></a>530 <a·id="ada7e6b962da0c71a2b29ae4a12656716"·name="ada7e6b962da0c71a2b29ae4a12656716"></a>
531 <h2·class="memtitle"><span·class="permalink"><a·href="#ada7e6b962da0c71a2b29ae4a12656716">&#9670;&#160;</a></span>grid_list_</h2>531 <h2·class="memtitle"><span·class="permalink"><a·href="#ada7e6b962da0c71a2b29ae4a12656716">&#9670;&#160;</a></span>grid_list_</h2>
  
532 <div·class="memitem">532 <div·class="memitem">
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545 ··</td>545 ··</td>
546 ··<td·class="mlabels-right">546 ··<td·class="mlabels-right">
547 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>547 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
548 ··</tr>548 ··</tr>
549 </table>549 </table>
550 </div><div·class="memdoc">550 </div><div·class="memdoc">
  
551 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">gridVisualizationDialog.h</a>.</p>551 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01181_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../de/db5/a01181_source.html">gridVisualizationDialog.h</a>.</p>
  
552 </div>552 </div>
553 </div>553 </div>
554 </div><!--·contents·-->554 </div><!--·contents·-->
555 <!--·start·footer·part·-->555 <!--·start·footer·part·-->
556 <hr·class="footer"/><address·class="footer"><small>556 <hr·class="footer"/><address·class="footer"><small>
557 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8557 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d2e/a03127.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d2e/a03127.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalPosition·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalPosition·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::IllegalPosition:</div>84 Inheritance·diagram·for·BALL::Exception::IllegalPosition:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/dbf/a03130.png"·usemap="#BALL::Exception::IllegalPosition_map"·alt=""/>87 ··<img·src="../../d5/dbf/a03130.png"·usemap="#BALL::Exception::IllegalPosition_map"·alt=""/>
88 ··<map·id="BALL::Exception::IllegalPosition_map"·name="BALL::Exception::IllegalPosition_map">88 ··<map·id="BALL::Exception::IllegalPosition_map"·name="BALL::Exception::IllegalPosition_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Invalid·Position.·A·given·position·in·three·dimensional·is·invalid.·</p>143 <div·class="textblock"><p>Invalid·Position.·A·given·position·in·three·dimensional·is·invalid.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00376">376</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00376">376</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="aa2be57520037999025bcb304cd98e6b0"·name="aa2be57520037999025bcb304cd98e6b0"></a>146 <a·id="aa2be57520037999025bcb304cd98e6b0"·name="aa2be57520037999025bcb304cd98e6b0"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#aa2be57520037999025bcb304cd98e6b0">&#9670;&#160;</a></span>IllegalPosition()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#aa2be57520037999025bcb304cd98e6b0">&#9670;&#160;</a></span>IllegalPosition()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d7/d3c/a05003.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d3c/a05003.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aef8d1ca422d01a94c08de7375db24418"·id="r_aef8d1ca422d01a94c08de7375db24418"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">ATOMTYPE_FILENAME</a></td></tr>86 <tr·class="memitem:aef8d1ca422d01a94c08de7375db24418"·id="r_aef8d1ca422d01a94c08de7375db24418"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#aef8d1ca422d01a94c08de7375db24418">ATOMTYPE_FILENAME</a></td></tr>
87 <tr·class="memdesc:aef8d1ca422d01a94c08de7375db24418"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<br·/></td></tr>87 <tr·class="memdesc:aef8d1ca422d01a94c08de7375db24418"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<br·/></td></tr>
88 <tr·class="separator:aef8d1ca422d01a94c08de7375db24418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:aef8d1ca422d01a94c08de7375db24418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:afe6595b2c8c0793b1c68a3e70c7539a5"·id="r_afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>89 <tr·class="memitem:afe6595b2c8c0793b1c68a3e70c7539a5"·id="r_afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dc0/a05006.html#afe6595b2c8c0793b1c68a3e70c7539a5">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>
90 <tr·class="memdesc:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<br·/></td></tr>90 <tr·class="memdesc:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<br·/></td></tr>
91 <tr·class="separator:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:afe6595b2c8c0793b1c68a3e70c7539a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="aef8d1ca422d01a94c08de7375db24418"·name="aef8d1ca422d01a94c08de7375db24418"></a>97 <a·id="aef8d1ca422d01a94c08de7375db24418"·name="aef8d1ca422d01a94c08de7375db24418"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aef8d1ca422d01a94c08de7375db24418">&#9670;&#160;</a></span>ATOMTYPE_FILENAME</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aef8d1ca422d01a94c08de7375db24418">&#9670;&#160;</a></span>ATOMTYPE_FILENAME</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p>path·to·the·file·containing·the·atom·type·definitions·</p>117 <p>path·to·the·file·containing·the·atom·type·definitions·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="afe6595b2c8c0793b1c68a3e70c7539a5"·name="afe6595b2c8c0793b1c68a3e70c7539a5"></a>121 <a·id="afe6595b2c8c0793b1c68a3e70c7539a5"·name="afe6595b2c8c0793b1c68a3e70c7539a5"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6595b2c8c0793b1c68a3e70c7539a5">&#9670;&#160;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#afe6595b2c8c0793b1c68a3e70c7539a5">&#9670;&#160;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>143 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/d75/a07835.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d75/a07835.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ControlSelectionMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ControlSelectionMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ControlSelectionMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::ControlSelectionMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/dc1/a07838.png"·usemap="#BALL::VIEW::ControlSelectionMessage_map"·alt=""/>87 ··<img·src="../../d5/dc1/a07838.png"·usemap="#BALL::VIEW::ControlSelectionMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ControlSelectionMessage_map"·name="BALL::VIEW::ControlSelectionMessage_map">88 ··<map·id="BALL::VIEW::ControlSelectionMessage_map"·name="BALL::VIEW::ControlSelectionMessage_map">
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127 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>127 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
128 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Used·to·inform·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·of·selection·in·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·(not·the·one·of·the·checkboxes!)·and·the·other·way·round.·</p><dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·-&gt;·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·and·</dd></dl>131 <div·class="textblock"><p>Used·to·inform·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·of·selection·in·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·(not·the·one·of·the·checkboxes!)·and·the·other·way·round.·</p><dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·-&gt;·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·and·</dd></dl>
132 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·-&gt;·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·</dd></dl>132 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·-&gt;·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·</dd></dl>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
135 <a·id="ad0ebfd2de92a6ec729480ee4459a346f"·name="ad0ebfd2de92a6ec729480ee4459a346f"></a>135 <a·id="ad0ebfd2de92a6ec729480ee4459a346f"·name="ad0ebfd2de92a6ec729480ee4459a346f"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0ebfd2de92a6ec729480ee4459a346f">&#9670;&#160;</a></span>ControlSelectionMessage()</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0ebfd2de92a6ec729480ee4459a346f">&#9670;&#160;</a></span>ControlSelectionMessage()</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
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8 <title>BALL:·charmm.h·File·Reference</title>8 <title>BALL:·geneticAlgorithm.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">charmm.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">geneticAlgorithm.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../dc/d93/a01535_source.html">geneticIndividual.h</a>&quot;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;vector&gt;</code><br·/>
 84 <code>#include·&lt;utility&gt;</code><br·/>
 85 <code>#include·&lt;random&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../d5/dc8/a01541_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d5/dc8/a01541_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>90 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d66/a05014.html">BALL::CharmmFF</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d6d/a03762.html">BALL::GeneticAlgorithm</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d10/a05018.html">BALL::CharmmFF::Option</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a05022.html">BALL::CharmmFF::Default</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
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69 <div·id="nav-path"·class="navpath"> 
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">editMode.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">parameter.doc·File·Reference</div></div>
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80 <div·class="contents">73 <div·class="contents">
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82 <code>#include·&lt;QtGui/QMouseEvent&gt;</code><br·/> 
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 </div> 
85 <p><a·href="../../d5/dcb/a00170_source.html">Go·to·the·source·code·of·this·file.</a></p> 
86 <table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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99 </div><!--·contents·-->74 </div><!--·contents·-->
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">descriptor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">INIFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
83 </div>83 </div>
84 <p><a·href="../../d5/dd3/a00902_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d5/dd3/a00902_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d59/a03926.html">BALL::INIFile</a></td></tr>
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 93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Interface·for·the·LineIterator.··<a·href="../../de/d08/a03934.html#details">More...</a><br·/></td></tr>
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92 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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8 <title>BALL:·residueChecker.h·File·Reference</title>8 <title>BALL:·geometricTransformations.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">residueChecker.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">geometricTransformations.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/da8/a20377_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d4/d81/a00110_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code><br·/> 
86 </div>87 </div>
87 <p><a·href="../../d5/dd6/a01820_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d5/dd6/a01820_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">89 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d31/a07074.html">BALL::ResidueChecker</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/df7/a06894.html">BALL::TranslationProcessor</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4f/a06898.html">BALL::TransformationProcessor</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON064·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON064·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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84 <p><a·href="../../d5/ddf/a00224_source.html">Go·to·the·source·code·of·this·file.</a></p>91 <p><a·href="../../d5/ddf/a00224_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsConnectionPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESwildcardsConnectionPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
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179 <div·class="textblock">179 <div·class="textblock">
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181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="a7b862e3dbc81b95c97df817853bd73aa"·name="a7b862e3dbc81b95c97df817853bd73aa"></a>182 <a·id="a7b862e3dbc81b95c97df817853bd73aa"·name="a7b862e3dbc81b95c97df817853bd73aa"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b862e3dbc81b95c97df817853bd73aa">&#9670;&#160;</a></span>CESwildcardsConnectionPredicate()</h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b862e3dbc81b95c97df817853bd73aa">&#9670;&#160;</a></span>CESwildcardsConnectionPredicate()</h2>
  
184 <div·class="memitem">184 <div·class="memitem">
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199 ··</td>199 ··</td>
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201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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206 </div>206 </div>
207 </div>207 </div>
208 <a·id="acdf40ead976c8e80d60ee2a5b56aad3f"·name="acdf40ead976c8e80d60ee2a5b56aad3f"></a>208 <a·id="acdf40ead976c8e80d60ee2a5b56aad3f"·name="acdf40ead976c8e80d60ee2a5b56aad3f"></a>
209 <h2·class="memtitle"><span·class="permalink"><a·href="#acdf40ead976c8e80d60ee2a5b56aad3f">&#9670;&#160;</a></span>~CESwildcardsConnectionPredicate()</h2>209 <h2·class="memtitle"><span·class="permalink"><a·href="#acdf40ead976c8e80d60ee2a5b56aad3f">&#9670;&#160;</a></span>~CESwildcardsConnectionPredicate()</h2>
  
210 <div·class="memitem">210 <div·class="memitem">
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358 ··</td>358 ··</td>
359 ··<td·class="mlabels-right">359 ··<td·class="mlabels-right">
360 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>360 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
361 ··</tr>361 ··</tr>
362 </table>362 </table>
363 </div><div·class="memdoc">363 </div><div·class="memdoc">
  
364 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>364 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
365 </div>365 </div>
366 </div>366 </div>
367 <a·id="a2dec0d185ad7f9545fde175f822153b8"·name="a2dec0d185ad7f9545fde175f822153b8"></a>367 <a·id="a2dec0d185ad7f9545fde175f822153b8"·name="a2dec0d185ad7f9545fde175f822153b8"></a>
368 <h2·class="memtitle"><span·class="permalink"><a·href="#a2dec0d185ad7f9545fde175f822153b8">&#9670;&#160;</a></span>wildcards_</h2>368 <h2·class="memtitle"><span·class="permalink"><a·href="#a2dec0d185ad7f9545fde175f822153b8">&#9670;&#160;</a></span>wildcards_</h2>
  
369 <div·class="memitem">369 <div·class="memitem">
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382 ··</td>382 ··</td>
383 ··<td·class="mlabels-right">383 ··<td·class="mlabels-right">
384 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>384 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
385 ··</tr>385 ··</tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d9c/a03231.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d9c/a03231.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Client::InvalidClient·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Client::InvalidClient·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Client::InvalidClient:</div>84 Inheritance·diagram·for·BALL::Client::InvalidClient:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d5/de7/a03234.png"·usemap="#BALL::Client::InvalidClient_map"·alt=""/>87 ··<img·src="../../d5/de7/a03234.png"·usemap="#BALL::Client::InvalidClient_map"·alt=""/>
88 ··<map·id="BALL::Client::InvalidClient_map"·name="BALL::Client::InvalidClient_map">88 ··<map·id="BALL::Client::InvalidClient_map"·name="BALL::Client::InvalidClient_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a>·exception·class.·This·exception·will·be·thrown·whenever·a·client·action·will·be·executed·without·an·open·working·connection.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a>·exception·class.·This·exception·will·be·thrown·whenever·a·client·action·will·be·executed·without·an·open·working·connection.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3c/a01418_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d4/d3c/a01418_source.html">client.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="aab45492b38a71043364d34ad7c312449"·name="aab45492b38a71043364d34ad7c312449"></a>147 <a·id="aab45492b38a71043364d34ad7c312449"·name="aab45492b38a71043364d34ad7c312449"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#aab45492b38a71043364d34ad7c312449">&#9670;&#160;</a></span>InvalidClient()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#aab45492b38a71043364d34ad7c312449">&#9670;&#160;</a></span>InvalidClient()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
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8 <title>BALL:·interactionModeManager.h·File·Reference</title>8 <title>BALL:·molecularDynamics.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_b878c16349dc35cd6d238899ef64b59a.html">MDSIMULATION</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">interactionModeManager.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularDynamics.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/d98/a00107_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/>
82 <code>#include·&lt;list&gt;</code><br·/>84 <code>#include·&lt;vector&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QObject&gt;</code><br·/> 
84 </div>85 </div>
85 <p><a·href="../../d5/de9/a00176_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d5/de9/a00176_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>89 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d75/a07906.html">BALL::VIEW::InteractionModeManager</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html">BALL::MolecularDynamics</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dee/a05158.html">BALL::MolecularDynamics::Option</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dab/a05162.html">BALL::MolecularDynamics::Default</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>101 </table>
99 </div><!--·contents·-->102 </div><!--·contents·-->
100 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/d4c/a08211.html">List·of·all·members</a>··</div>77 <a·href="../../d2/d4c/a08211.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredTube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredTube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/VIEW/PRIMITIVES/twoColoredTube.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d6e/a01409_source.html">BALL/VIEW/PRIMITIVES/twoColoredTube.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::TwoColoredTube:</div>83 Inheritance·diagram·for·BALL::VIEW::TwoColoredTube:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d5/ded/a08214.png"·usemap="#BALL::VIEW::TwoColoredTube_map"·alt=""/>86 ··<img·src="../../d5/ded/a08214.png"·usemap="#BALL::VIEW::TwoColoredTube_map"·alt=""/>
87 ··<map·id="BALL::VIEW::TwoColoredTube_map"·name="BALL::VIEW::TwoColoredTube_map">87 ··<map·id="BALL::VIEW::TwoColoredTube_map"·name="BALL::VIEW::TwoColoredTube_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,182,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,182,24"/>
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262 <li>color2·-·the·color·for·the·second·vertex·of·the·tube</li>262 <li>color2·-·the·color·for·the·second·vertex·of·the·tube</li>
263 <li>vertex1·-·the·first·vertex·of·the·tube</li>263 <li>vertex1·-·the·first·vertex·of·the·tube</li>
264 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d5/ded/a08214.html">TwoColoredTube</a>·is·a·tube·that·is·half·colored·in·the·color·1·and·in·color·2.·The·tube·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../d5/ded/a08214.html">TwoColoredTube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>,·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>264 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../d5/ded/a08214.html">TwoColoredTube</a>·is·a·tube·that·is·half·colored·in·the·color·1·and·in·color·2.·The·tube·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../d5/ded/a08214.html">TwoColoredTube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>,·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
265 <dl·class="section·user"><dt></dt><dd></dd></dl>265 <dl·class="section·user"><dt></dt><dd></dd></dl>
266 </li>266 </li>
267 </ul>267 </ul>
  
268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">twoColoredTube.h</a>.</p>268 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">twoColoredTube.h</a>.</p>
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271 <h2·class="memtitle"><span·class="permalink"><a·href="#a61a924c8bd96223642f6a04d70cbd789">&#9670;&#160;</a></span>TwoColoredTube()·<span·class="overload">[1/2]</span></h2>271 <h2·class="memtitle"><span·class="permalink"><a·href="#a61a924c8bd96223642f6a04d70cbd789">&#9670;&#160;</a></span>TwoColoredTube()·<span·class="overload">[1/2]</span></h2>
  
272 <div·class="memitem">272 <div·class="memitem">
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494 ··</tr>494 ··</tr>
495 </table>495 </table>
496 </div><div·class="memdoc">496 </div><div·class="memdoc">
  
497 <p>Get·the·radius.·</p>497 <p>Get·the·radius.·</p>
  
498 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">twoColoredTube.h</a>.</p>498 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">twoColoredTube.h</a>.</p>
  
499 </div>499 </div>
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502 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f134af59a4f1b26d14397a87e604b9">&#9670;&#160;</a></span>getVertices()</h2>502 <h2·class="memtitle"><span·class="permalink"><a·href="#a62f134af59a4f1b26d14397a87e604b9">&#9670;&#160;</a></span>getVertices()</h2>
  
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622 <p>Set·the·radius.·</p>622 <p>Set·the·radius.·</p>
  
623 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">twoColoredTube.h</a>.</p>623 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d6e/a01409_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d9/d6e/a01409_source.html">twoColoredTube.h</a>.</p>
  
624 </div>624 </div>
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627 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a79b9b2b032a9d6cfb0a742d8ac39f6">&#9670;&#160;</a></span>swap()</h2>627 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a79b9b2b032a9d6cfb0a742d8ac39f6">&#9670;&#160;</a></span>swap()</h2>
  
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78 ··<div·class="headertitle"><div·class="title">snapShotVisualisation.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">protein.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_snapShotVisualisation.h&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d5/dee/a00518_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d5/dee/a00518_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 104 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d348a764c8578933e3a61a1a6122b4">&#9670;&#160;</a></span>BALL_PROTEIN_DEFAULT_ID</h2>
  
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 113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dee/a00518_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/dee/a00518_source.html">protein.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d5/dee/a06710.html#details">More...</a></p>83 ·<a·href="../../d5/dee/a06710.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:ac559cb6d24d9a9b965de35753bc031fd"·id="r_ac559cb6d24d9a9b965de35753bc031fd"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html#ac559cb6d24d9a9b965de35753bc031fd">HEURISTIC</a></td></tr>88 <tr·class="memitem:ac559cb6d24d9a9b965de35753bc031fd"·id="r_ac559cb6d24d9a9b965de35753bc031fd"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html#ac559cb6d24d9a9b965de35753bc031fd">HEURISTIC</a></td></tr>
89 <tr·class="separator:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac559cb6d24d9a9b965de35753bc031fd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d5/dee/a06710.html"·title="Option·names.">Option</a>·names.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>heuristic·defining·the·tightness·of·the·search·critria·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Heuristic::SIMPLE·</dd>117 <p>heuristic·defining·the·tightness·of·the·search·critria·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Heuristic::SIMPLE·</dd>
118 <dd>118 <dd>
119 Option::Heuristic::MEDIUM·</dd>119 Option::Heuristic::MEDIUM·</dd>
120 <dd>120 <dd>
121 Option::Heuristic::TIGHT·</dd></dl>121 Option::Heuristic::TIGHT·</dd></dl>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">modularWidget.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">concept.h·File·Reference</div></div>
79 </div><!--header-->76 </div><!--header-->
80 <div·class="contents">77 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a01394_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;BALL/CONCEPT/callback.h&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/CONCEPT/comparator.h</a>&gt;</code><br·/>
84 <code>#include·&lt;QtGui/QKeySequence&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d5/d72/a00803_source.html">BALL/CONCEPT/randomAccessIterator.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;BALL/CONCEPT/reverseRandomAccessIterator.h&gt;</code><br·/>
 88 <code>#include·&lt;BALL/CONCEPT/singleton.h&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/>
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87 <p><a·href="../../d5/df1/a00206_source.html">Go·to·the·source·code·of·this·file.</a></p>91 <p><a·href="../../d5/df1/a00206_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 <a·href="../../dc/d66/a07327.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d66/a07327.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere::Face·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere::Face·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>
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95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
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110 </div>110 </div>
111 </div>111 </div>
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113 <h2·class="memtitle"><span·class="permalink"><a·href="#a11997e4d1abe9d43d14f5a45cebe88a4">&#9670;&#160;</a></span>ecount</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a11997e4d1abe9d43d14f5a45cebe88a4">&#9670;&#160;</a></span>ecount</h2>
  
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128 </div>128 </div>
129 </div>129 </div>
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144 </div>144 </div>
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79 <a·href="../../de/d42/a04975.html">List·of·all·members</a>··</div>79 <a·href="../../de/d42/a04975.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementConnectionPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementConnectionPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementConnectionPredicate:</div>85 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementConnectionPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
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175 </table>175 </table>
176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>176 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
177 <div·class="textblock">177 <div·class="textblock">
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>179 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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181 <h2·class="memtitle"><span·class="permalink"><a·href="#a34e7bcdc3df5fbf333439964397c8168">&#9670;&#160;</a></span>CESelementConnectionPredicate()</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#a34e7bcdc3df5fbf333439964397c8168">&#9670;&#160;</a></span>CESelementConnectionPredicate()</h2>
  
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200 ··</tr>200 ··</tr>
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202 </div><div·class="memdoc">202 </div><div·class="memdoc">
  
203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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207 <h2·class="memtitle"><span·class="permalink"><a·href="#ad263281fc16dcdedf90ed34f941a3ec1">&#9670;&#160;</a></span>~CESelementConnectionPredicate()</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#ad263281fc16dcdedf90ed34f941a3ec1">&#9670;&#160;</a></span>~CESelementConnectionPredicate()</h2>
  
208 <div·class="memitem">208 <div·class="memitem">
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338 ··</td>338 ··</td>
339 ··<td·class="mlabels-right">339 ··<td·class="mlabels-right">
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78 ··<div·class="headertitle"><div·class="title">solventParameter.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">charmmImproperTorsion.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
85 </div>87 </div>
86 <p><a·href="../../d5/df9/a00044_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d5/df9/a00044_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 102 <tr·class="memitem:a18d420c0121c8e05702d3575d239061b"·id="r_a18d420c0121c8e05702d3575d239061b"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df9/a00044.html#a18d420c0121c8e05702d3575d239061b">CHARMM_IMPROPER_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·IT&quot;</td></tr>
 103 <tr·class="memdesc:a18d420c0121c8e05702d3575d239061b"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·improper·torsions··<br·/></td></tr>
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97 </table>105 </table>
 106 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 107 <a·id="a18d420c0121c8e05702d3575d239061b"·name="a18d420c0121c8e05702d3575d239061b"></a>
 108 <h2·class="memtitle"><span·class="permalink"><a·href="#a18d420c0121c8e05702d3575d239061b">&#9670;&#160;</a></span>CHARMM_IMPROPER_TORSIONS_ENABLED</h2>
  
 109 <div·class="memitem">
 110 <div·class="memproto">
 111 ······<table·class="memname">
 112 ········<tr>
 113 ··········<td·class="memname">#define·CHARMM_IMPROPER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·IT&quot;</td>
 114 ········</tr>
 115 ······</table>
 116 </div><div·class="memdoc">
  
 117 <p>flag·to·enable·improper·torsions·</p>
  
 118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df9/a00044_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d5/df9/a00044_source.html">charmmImproperTorsion.h</a>.</p>
  
 119 </div>
 120 </div>
98 </div><!--·contents·-->121 </div><!--·contents·-->
99 <!--·start·footer·part·-->122 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>123 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 <a·href="../../dd/d8c/a04151.html">List·of·all·members</a>··</div>79 <a·href="../../dd/d8c/a04151.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCRYST1·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCRYST1·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>86 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d68/a04158.html">UnitCell</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d68/a04158.html">UnitCell</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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96 <tr·class="separator:abee0fc370edfcc7114bc7146c3a090d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:abee0fc370edfcc7114bc7146c3a090d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:ace6146dbf55e134d48500cfb6628f301"·id="r_ace6146dbf55e134d48500cfb6628f301"><td·class="memItemLeft"·align="right"·valign="top">struct·<a·class="el"·href="../../d2/d68/a04158.html">BALL::PDB::RecordCRYST1::UnitCell</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d07/a04154.html#ace6146dbf55e134d48500cfb6628f301">unit_cell</a></td></tr>97 <tr·class="memitem:ace6146dbf55e134d48500cfb6628f301"·id="r_ace6146dbf55e134d48500cfb6628f301"><td·class="memItemLeft"·align="right"·valign="top">struct·<a·class="el"·href="../../d2/d68/a04158.html">BALL::PDB::RecordCRYST1::UnitCell</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d07/a04154.html#ace6146dbf55e134d48500cfb6628f301">unit_cell</a></td></tr>
98 <tr·class="separator:ace6146dbf55e134d48500cfb6628f301"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:ace6146dbf55e134d48500cfb6628f301"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00564">564</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00564">564</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
103 </div><h2·class="groupheader">Member·Data·Documentation</h2>103 </div><h2·class="groupheader">Member·Data·Documentation</h2>
104 <a·id="abee0fc370edfcc7114bc7146c3a090d7"·name="abee0fc370edfcc7114bc7146c3a090d7"></a>104 <a·id="abee0fc370edfcc7114bc7146c3a090d7"·name="abee0fc370edfcc7114bc7146c3a090d7"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#abee0fc370edfcc7114bc7146c3a090d7">&#9670;&#160;</a></span>record_name</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#abee0fc370edfcc7114bc7146c3a090d7">&#9670;&#160;</a></span>record_name</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
109 ········<tr>109 ········<tr>
110 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCRYST1::record_name</td>110 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordCRYST1::record_name</td>
111 ········</tr>111 ········</tr>
112 ······</table>112 ······</table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00567">567</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00567">567</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
115 </div>115 </div>
116 </div>116 </div>
117 <a·id="ac7bc8a8606732a22217757742312e28c"·name="ac7bc8a8606732a22217757742312e28c"></a>117 <a·id="ac7bc8a8606732a22217757742312e28c"·name="ac7bc8a8606732a22217757742312e28c"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7bc8a8606732a22217757742312e28c">&#9670;&#160;</a></span>record_type</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7bc8a8606732a22217757742312e28c">&#9670;&#160;</a></span>record_type</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
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125 ······<table·class="memname">125 ······<table·class="memname">
126 ········<tr>126 ········<tr>
127 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCRYST1::record_type</td>127 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCRYST1::record_type</td>
128 ········</tr>128 ········</tr>
129 ······</table>129 ······</table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00566">566</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
134 <a·id="ace6146dbf55e134d48500cfb6628f301"·name="ace6146dbf55e134d48500cfb6628f301"></a>134 <a·id="ace6146dbf55e134d48500cfb6628f301"·name="ace6146dbf55e134d48500cfb6628f301"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#ace6146dbf55e134d48500cfb6628f301">&#9670;&#160;</a></span>unit_cell</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#ace6146dbf55e134d48500cfb6628f301">&#9670;&#160;</a></span>unit_cell</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d3/dc0/a06211.html">List·of·all·members</a>··</div>78 <a·href="../../d3/dc0/a06211.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::BuriedPolar:</div>84 Inheritance·diagram·for·BALL::BuriedPolar:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d0b/a06214.png"·usemap="#BALL::BuriedPolar_map"·alt=""/>87 ··<img·src="../../d6/d0b/a06214.png"·usemap="#BALL::BuriedPolar_map"·alt=""/>
88 ··<map·id="BALL::BuriedPolar_map"·name="BALL::BuriedPolar_map">88 ··<map·id="BALL::BuriedPolar_map"·name="BALL::BuriedPolar_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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199 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>199 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
200 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>200 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
201 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>201 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
202 </table>202 </table>
203 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>203 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
204 <div·class="textblock"><p>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>204 <div·class="textblock"><p>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">buriedPolar.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">buriedPolar.h</a>.</p>
206 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>206 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
207 <a·id="af216d2206e2a65a4959924ff9e43300f"·name="af216d2206e2a65a4959924ff9e43300f"></a>207 <a·id="af216d2206e2a65a4959924ff9e43300f"·name="af216d2206e2a65a4959924ff9e43300f"></a>
208 <h2·class="memtitle"><span·class="permalink"><a·href="#af216d2206e2a65a4959924ff9e43300f">&#9670;&#160;</a></span>BuriedPolar()·<span·class="overload">[1/2]</span></h2>208 <h2·class="memtitle"><span·class="permalink"><a·href="#af216d2206e2a65a4959924ff9e43300f">&#9670;&#160;</a></span>BuriedPolar()·<span·class="overload">[1/2]</span></h2>
  
209 <div·class="memitem">209 <div·class="memitem">
210 <div·class="memproto">210 <div·class="memproto">
211 ······<table·class="memname">211 ······<table·class="memname">
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78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="#friends">Friends</a>·&#124;79 <a·href="#friends">Friends</a>·&#124;
80 <a·href="../../de/d49/a06155.html">List·of·all·members</a>··</div>80 <a·href="../../de/d49/a06155.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::ScoreGridSet·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::ScoreGridSet·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/SCORING/COMMON/scoreGridSet.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
87 Public·Member·Functions</h2></td></tr>87 Public·Member·Functions</h2></td></tr>
88 <tr·class="memitem:a862bc785e6d5a73f55bd89e3a8c1273b"·id="r_a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a862bc785e6d5a73f55bd89e3a8c1273b">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;v_origin,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;size,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;resolution)</td></tr>88 <tr·class="memitem:a862bc785e6d5a73f55bd89e3a8c1273b"·id="r_a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a862bc785e6d5a73f55bd89e3a8c1273b">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;v_origin,·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&amp;size,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;resolution)</td></tr>
89 <tr·class="separator:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a862bc785e6d5a73f55bd89e3a8c1273b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aa49ca80e64163bc0906b45294990dfb3"·id="r_aa49ca80e64163bc0906b45294990dfb3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#aa49ca80e64163bc0906b45294990dfb3">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs)</td></tr>90 <tr·class="memitem:aa49ca80e64163bc0906b45294990dfb3"·id="r_aa49ca80e64163bc0906b45294990dfb3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#aa49ca80e64163bc0906b45294990dfb3">ScoreGridSet</a>·(<a·class="el"·href="../../dc/d40/a06134.html">GridBasedScoring</a>·*gbs)</td></tr>
91 <tr·class="separator:aa49ca80e64163bc0906b45294990dfb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa49ca80e64163bc0906b45294990dfb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 162, 15 lines modifiedOffset 162, 15 lines modified
162 Friends</h2></td></tr>162 Friends</h2></td></tr>
163 <tr·class="memitem:a6ada750044d8e240c475addd2a90530d"·id="r_a6ada750044d8e240c475addd2a90530d"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a6ada750044d8e240c475addd2a90530d">GridBasedScoring</a></td></tr>163 <tr·class="memitem:a6ada750044d8e240c475addd2a90530d"·id="r_a6ada750044d8e240c475addd2a90530d"><td·class="memItemLeft"·align="right"·valign="top">class&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06158.html#a6ada750044d8e240c475addd2a90530d">GridBasedScoring</a></td></tr>
164 <tr·class="separator:a6ada750044d8e240c475addd2a90530d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>164 <tr·class="separator:a6ada750044d8e240c475addd2a90530d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
165 </table>165 </table>
166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
167 <div·class="textblock"><p>A·<a·class="el"·href="../../d6/d0c/a06158.html">ScoreGridSet</a>·is·a·set·of·grids·that·describes·a·specified·area·with·one·Grid·for·each·AtomType·</p>167 <div·class="textblock"><p>A·<a·class="el"·href="../../d6/d0c/a06158.html">ScoreGridSet</a>·is·a·set·of·grids·that·describes·a·specified·area·with·one·Grid·for·each·AtomType·</p>
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">scoreGridSet.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
169 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>169 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
170 <a·id="a862bc785e6d5a73f55bd89e3a8c1273b"·name="a862bc785e6d5a73f55bd89e3a8c1273b"></a>170 <a·id="a862bc785e6d5a73f55bd89e3a8c1273b"·name="a862bc785e6d5a73f55bd89e3a8c1273b"></a>
171 <h2·class="memtitle"><span·class="permalink"><a·href="#a862bc785e6d5a73f55bd89e3a8c1273b">&#9670;&#160;</a></span>ScoreGridSet()·<span·class="overload">[1/4]</span></h2>171 <h2·class="memtitle"><span·class="permalink"><a·href="#a862bc785e6d5a73f55bd89e3a8c1273b">&#9670;&#160;</a></span>ScoreGridSet()·<span·class="overload">[1/4]</span></h2>
  
172 <div·class="memitem">172 <div·class="memitem">
173 <div·class="memproto">173 <div·class="memproto">
174 ······<table·class="memname">174 ······<table·class="memname">
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817 ··</td>817 ··</td>
818 ··<td·class="mlabels-right">818 ··<td·class="mlabels-right">
819 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>819 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
820 ··</tr>820 ··</tr>
821 </table>821 </table>
822 </div><div·class="memdoc">822 </div><div·class="memdoc">
  
823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">scoreGridSet.h</a>.</p>823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
824 </div>824 </div>
825 </div>825 </div>
826 <h2·class="groupheader">Member·Data·Documentation</h2>826 <h2·class="groupheader">Member·Data·Documentation</h2>
827 <a·id="a587fe0687bd6bffc128460cc87fdcbfd"·name="a587fe0687bd6bffc128460cc87fdcbfd"></a>827 <a·id="a587fe0687bd6bffc128460cc87fdcbfd"·name="a587fe0687bd6bffc128460cc87fdcbfd"></a>
828 <h2·class="memtitle"><span·class="permalink"><a·href="#a587fe0687bd6bffc128460cc87fdcbfd">&#9670;&#160;</a></span>interaction_no_scale_</h2>828 <h2·class="memtitle"><span·class="permalink"><a·href="#a587fe0687bd6bffc128460cc87fdcbfd">&#9670;&#160;</a></span>interaction_no_scale_</h2>
  
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834 ······<table·class="memname">834 ······<table·class="memname">
835 ········<tr>835 ········<tr>
836 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoreGridSet::interaction_no_scale_</td>836 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoreGridSet::interaction_no_scale_</td>
837 ········</tr>837 ········</tr>
838 ······</table>838 ······</table>
839 </div><div·class="memdoc">839 </div><div·class="memdoc">
  
840 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">scoreGridSet.h</a>.</p>840 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
841 </div>841 </div>
842 </div>842 </div>
843 <a·id="ac26538db3053ad933e51713d9aa26727"·name="ac26538db3053ad933e51713d9aa26727"></a>843 <a·id="ac26538db3053ad933e51713d9aa26727"·name="ac26538db3053ad933e51713d9aa26727"></a>
844 <h2·class="memtitle"><span·class="permalink"><a·href="#ac26538db3053ad933e51713d9aa26727">&#9670;&#160;</a></span>name</h2>844 <h2·class="memtitle"><span·class="permalink"><a·href="#ac26538db3053ad933e51713d9aa26727">&#9670;&#160;</a></span>name</h2>
  
845 <div·class="memitem">845 <div·class="memitem">
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850 ······<table·class="memname">850 ······<table·class="memname">
851 ········<tr>851 ········<tr>
852 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::ScoreGridSet::name</td>852 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::ScoreGridSet::name</td>
853 ········</tr>853 ········</tr>
854 ······</table>854 ······</table>
855 </div><div·class="memdoc">855 </div><div·class="memdoc">
  
856 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">scoreGridSet.h</a>.</p>856 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00109">109</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
857 </div>857 </div>
858 </div>858 </div>
859 <a·id="ad863fb6326e79c2f441e65ee84a65d21"·name="ad863fb6326e79c2f441e65ee84a65d21"></a>859 <a·id="ad863fb6326e79c2f441e65ee84a65d21"·name="ad863fb6326e79c2f441e65ee84a65d21"></a>
860 <h2·class="memtitle"><span·class="permalink"><a·href="#ad863fb6326e79c2f441e65ee84a65d21">&#9670;&#160;</a></span>reference_interactions</h2>860 <h2·class="memtitle"><span·class="permalink"><a·href="#ad863fb6326e79c2f441e65ee84a65d21">&#9670;&#160;</a></span>reference_interactions</h2>
  
861 <div·class="memitem">861 <div·class="memitem">
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867 ········<tr>867 ········<tr>
868 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ScoreGridSet::reference_interactions</td>868 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::ScoreGridSet::reference_interactions</td>
869 ········</tr>869 ········</tr>
870 ······</table>870 ······</table>
871 </div><div·class="memdoc">871 </div><div·class="memdoc">
872 <p>the·average·number·of·interactions·per·reference·ligand·atom·</p>872 <p>the·average·number·of·interactions·per·reference·ligand·atom·</p>
  
873 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">scoreGridSet.h</a>.</p>873 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">scoreGridSet.h</a>.</p>
  
874 </div>874 </div>
875 </div>875 </div>
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877 <!--·start·footer·part·-->877 <!--·start·footer·part·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d9/d20/a06219.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d20/a06219.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/COMPONENTS/buriedPolar.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a77a179658945ca7141206c9bd90927a7"·id="r_a77a179658945ca7141206c9bd90927a7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#a77a179658945ca7141206c9bd90927a7">BP_R1_OFFSET</a></td></tr>86 <tr·class="memitem:a77a179658945ca7141206c9bd90927a7"·id="r_a77a179658945ca7141206c9bd90927a7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#a77a179658945ca7141206c9bd90927a7">BP_R1_OFFSET</a></td></tr>
87 <tr·class="separator:a77a179658945ca7141206c9bd90927a7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a77a179658945ca7141206c9bd90927a7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ad562533d267f964ece73b64cd1109643"·id="r_ad562533d267f964ece73b64cd1109643"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#ad562533d267f964ece73b64cd1109643">BP_R2_OFFSET</a></td></tr>88 <tr·class="memitem:ad562533d267f964ece73b64cd1109643"·id="r_ad562533d267f964ece73b64cd1109643"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#ad562533d267f964ece73b64cd1109643">BP_R2_OFFSET</a></td></tr>
89 <tr·class="separator:ad562533d267f964ece73b64cd1109643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ad562533d267f964ece73b64cd1109643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:abc8916ec4dd4df70935a70f4b595138e"·id="r_abc8916ec4dd4df70935a70f4b595138e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#abc8916ec4dd4df70935a70f4b595138e">VERBOSITY</a></td></tr>90 <tr·class="memitem:abc8916ec4dd4df70935a70f4b595138e"·id="r_abc8916ec4dd4df70935a70f4b595138e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0c/a06222.html#abc8916ec4dd4df70935a70f4b595138e">VERBOSITY</a></td></tr>
91 <tr·class="separator:abc8916ec4dd4df70935a70f4b595138e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:abc8916ec4dd4df70935a70f4b595138e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../d6/d0c/a06222.html">Default</a>·values·for·SLICK·options.·</p>94 <div·class="textblock"><p><a·class="el"·href="../../d6/d0c/a06222.html">Default</a>·values·for·SLICK·options.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">buriedPolar.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dea/a02057_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/dea/a02057_source.html">buriedPolar.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a77a179658945ca7141206c9bd90927a7"·name="a77a179658945ca7141206c9bd90927a7"></a>97 <a·id="a77a179658945ca7141206c9bd90927a7"·name="a77a179658945ca7141206c9bd90927a7"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a77a179658945ca7141206c9bd90927a7">&#9670;&#160;</a></span>BP_R1_OFFSET</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a77a179658945ca7141206c9bd90927a7">&#9670;&#160;</a></span>BP_R1_OFFSET</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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112 ··</td>112 ··</td>
113 ··<td·class="mlabels-right">113 ··<td·class="mlabels-right">
114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
115 ··</tr>115 ··</tr>
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117 </div><div·class="memdoc">117 </div><div·class="memdoc">
  
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85 <table·class="memberdecls">88 <table·class="memberdecls">
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82 <a·href="../../da/d2b/a05283.html">List·of·all·members</a>··</div>82 <a·href="../../da/d2b/a05283.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::MMFF94TorsionParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>83 ··<div·class="headertitle"><div·class="title">BALL::MMFF94TorsionParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
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89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d6/d14/a05286.png"·usemap="#BALL::MMFF94TorsionParameters_map"·alt=""/>91 ··<img·src="../../d6/d14/a05286.png"·usemap="#BALL::MMFF94TorsionParameters_map"·alt=""/>
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164 <tr·class="separator:a93d594348590763af82e2e85b8d5a0d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>164 <tr·class="separator:a93d594348590763af82e2e85b8d5a0d2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
165 </table>165 </table>
166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
167 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·torsions·(see·MMFFTOR.PAR)·</p>167 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·torsions·(see·MMFFTOR.PAR)·</p>
  
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174 ······<table·class="memname">174 ······<table·class="memname">
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179 ········</tr>179 ········</tr>
180 ······</table>180 ······</table>
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182 <p>Map·with·the·force·constant·and·reference·angle.·</p>182 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00372">372</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
184 </div>184 </div>
185 </div>185 </div>
186 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>186 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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188 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d2dddf9412c39f6e7c045ff4c8972b1">&#9670;&#160;</a></span>MMFF94TorsionParameters()</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d2dddf9412c39f6e7c045ff4c8972b1">&#9670;&#160;</a></span>MMFF94TorsionParameters()</h2>
  
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446 ··</td>446 ··</td>
447 ··<td·class="mlabels-right">447 ··<td·class="mlabels-right">
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494 ··</td>494 ··</td>
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500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00405">405</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>500 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00405">405</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
501 </div>501 </div>
502 </div>502 </div>
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520 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>520 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
521 ··</tr>521 ··</tr>
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524 <p>parameters·</p>524 <p>parameters·</p>
  
525 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00402">402</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>525 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00402">402</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
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66 </div>66 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">graphVertex.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">partialBondOrderAssignment.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
 85 <code>#include·&lt;vector&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d6/d15/a01697_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d6/d15/a01697_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5b/a06902.html">BALL::GraphVertex&lt;·Vertex,·Edge,·Face·&gt;</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc7/a06818.html">BALL::PartialBondOrderAssignment</a></td></tr>
 92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·full·or·partial·solution·to·the·AStar-based·bond·order·assignment·problem.··<a·href="../../db/dc7/a06818.html#details">More...</a><br·/></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>99 </table>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d9/dc9/a03347.html">List·of·all·members</a>··</div>77 <a·href="../../d9/dc9/a03347.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::NamedProperty·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::NamedProperty·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/CONCEPT/property.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/CONCEPT/property.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::NamedProperty:</div>83 Inheritance·diagram·for·BALL::NamedProperty:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d18/a03350.png"·usemap="#BALL::NamedProperty_map"·alt=""/>86 ··<img·src="../../d6/d18/a03350.png"·usemap="#BALL::NamedProperty_map"·alt=""/>
87 ··<map·id="BALL::NamedProperty_map"·name="BALL::NamedProperty_map">87 ··<map·id="BALL::NamedProperty_map"·name="BALL::NamedProperty_map">
88 <area·href="../../da/d6e/a03314.html"·alt="BALL::PersistentObject"·shape="rect"·coords="0,112,141,136"/>88 <area·href="../../da/d6e/a03314.html"·alt="BALL::PersistentObject"·shape="rect"·coords="0,112,141,136"/>
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252 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>252 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
253 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>253 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
254 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>254 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
255 </table>255 </table>
256 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>256 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
257 <div·class="textblock"><p>Named·Property·Class.·</p>257 <div·class="textblock"><p>Named·Property·Class.·</p>
  
258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">property.h</a>.</p>258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">property.h</a>.</p>
259 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>259 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
260 <a·id="a6c1c545a19dfb73abdc308457bc406a6"·name="a6c1c545a19dfb73abdc308457bc406a6"></a>260 <a·id="a6c1c545a19dfb73abdc308457bc406a6"·name="a6c1c545a19dfb73abdc308457bc406a6"></a>
261 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c1c545a19dfb73abdc308457bc406a6">&#9670;&#160;</a></span>Type</h2>261 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c1c545a19dfb73abdc308457bc406a6">&#9670;&#160;</a></span>Type</h2>
  
262 <div·class="memitem">262 <div·class="memitem">
263 <div·class="memproto">263 <div·class="memproto">
264 ······<table·class="memname">264 ······<table·class="memname">
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287 </td></tr>287 </td></tr>
288 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"·name="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"></a>NONE&#160;</td><td·class="fielddoc"><p>Properties·of·this·type·do·not·contain·any·data.·Use·this·type·to·indicate·that·an·object·has·a·certain·property.·The·type·can·be·seen·as·an·extension·of·the·bit·properties·used·in·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·except·for·the·user-defined·name.·</p>288 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"·name="a6c1c545a19dfb73abdc308457bc406a6a29d54927d365abafe0360d84c2454ca2"></a>NONE&#160;</td><td·class="fielddoc"><p>Properties·of·this·type·do·not·contain·any·data.·Use·this·type·to·indicate·that·an·object·has·a·certain·property.·The·type·can·be·seen·as·an·extension·of·the·bit·properties·used·in·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·except·for·the·user-defined·name.·</p>
289 </td></tr>289 </td></tr>
290 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"·name="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"></a>SMART_OBJECT&#160;</td><td·class="fielddoc"><p>Object-type·properties·contain·a·smart·pointer·to·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>.·Here,·destruction·will·autmatically·be·handled·by·the·smart·pointer·implementation.·</p>290 <tr><td·class="fieldname"><a·id="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"·name="a6c1c545a19dfb73abdc308457bc406a6ab0c15fc4c4a168810bb991dc1dc4da2d"></a>SMART_OBJECT&#160;</td><td·class="fielddoc"><p>Object-type·properties·contain·a·smart·pointer·to·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>.·Here,·destruction·will·autmatically·be·handled·by·the·smart·pointer·implementation.·</p>
291 </td></tr>291 </td></tr>
292 </table>292 </table>
  
293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1f/a01364_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../de/d1f/a01364_source.html">property.h</a>.</p>293 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/db8/a00797_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../da/db8/a00797_source.html">property.h</a>.</p>
  
294 </div>294 </div>
295 </div>295 </div>
296 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>296 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
297 <a·id="ac01c5af4bfa69fe159b765e2b72997f5"·name="ac01c5af4bfa69fe159b765e2b72997f5"></a>297 <a·id="ac01c5af4bfa69fe159b765e2b72997f5"·name="ac01c5af4bfa69fe159b765e2b72997f5"></a>
298 <h2·class="memtitle"><span·class="permalink"><a·href="#ac01c5af4bfa69fe159b765e2b72997f5">&#9670;&#160;</a></span>NamedProperty()·<span·class="overload">[1/12]</span></h2>298 <h2·class="memtitle"><span·class="permalink"><a·href="#ac01c5af4bfa69fe159b765e2b72997f5">&#9670;&#160;</a></span>NamedProperty()·<span·class="overload">[1/12]</span></h2>
  
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d0/df3/a08087.html">List·of·all·members</a>··</div>80 <a·href="../../d0/df3/a08087.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoleculeColorProcessor·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoleculeColorProcessor·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::MoleculeColorProcessor:</div>86 Inheritance·diagram·for·BALL::VIEW::MoleculeColorProcessor:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d6/d18/a08090.png"·usemap="#BALL::VIEW::MoleculeColorProcessor_map"·alt=""/>89 ··<img·src="../../d6/d18/a08090.png"·usemap="#BALL::VIEW::MoleculeColorProcessor_map"·alt=""/>
90 ··<map·id="BALL::VIEW::MoleculeColorProcessor_map"·name="BALL::VIEW::MoleculeColorProcessor_map">90 ··<map·id="BALL::VIEW::MoleculeColorProcessor_map"·name="BALL::VIEW::MoleculeColorProcessor_map">
91 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>91 <area·href="../../de/de3/a08082.html"·alt="BALL::VIEW::PositionColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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242 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"·id="r_aca8cefb33c4b6745e085cd5b908528b1"><td·class="memItemLeft"·align="right"·valign="top">typedef·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>242 <tr·class="memitem:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"·id="r_aca8cefb33c4b6745e085cd5b908528b1"><td·class="memItemLeft"·align="right"·valign="top">typedef·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#aca8cefb33c4b6745e085cd5b908528b1">argument_pointer</a></td></tr>
243 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>243 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
244 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>244 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
245 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>245 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
246 </table>246 </table>
247 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>247 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
248 <div·class="textblock">248 <div·class="textblock">
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
250 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>250 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
251 <a·id="a4d4ac1e39229117a16b5ec86288b9434"·name="a4d4ac1e39229117a16b5ec86288b9434"></a>251 <a·id="a4d4ac1e39229117a16b5ec86288b9434"·name="a4d4ac1e39229117a16b5ec86288b9434"></a>
252 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d4ac1e39229117a16b5ec86288b9434">&#9670;&#160;</a></span>MoleculeColorProcessor()</h2>252 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d4ac1e39229117a16b5ec86288b9434">&#9670;&#160;</a></span>MoleculeColorProcessor()</h2>
  
253 <div·class="memitem">253 <div·class="memitem">
254 <div·class="memproto">254 <div·class="memproto">
255 ······<table·class="memname">255 ······<table·class="memname">
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316 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>316 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
317 ··</tr>317 ··</tr>
318 </table>318 </table>
319 </div><div·class="memdoc">319 </div><div·class="memdoc">
  
320 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>320 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#a4df8dc63db7666f8d4c52d1a13415b98">BALL::VIEW::PositionColorProcessor</a>.</p>
  
321 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>321 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
322 </div>322 </div>
323 </div>323 </div>
324 <a·id="a2a95ec5d5cd2f5d18a677ac87182ef78"·name="a2a95ec5d5cd2f5d18a677ac87182ef78"></a>324 <a·id="a2a95ec5d5cd2f5d18a677ac87182ef78"·name="a2a95ec5d5cd2f5d18a677ac87182ef78"></a>
325 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a95ec5d5cd2f5d18a677ac87182ef78">&#9670;&#160;</a></span>isOK_()</h2>325 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a95ec5d5cd2f5d18a677ac87182ef78">&#9670;&#160;</a></span>isOK_()</h2>
  
326 <div·class="memitem">326 <div·class="memitem">
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346 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>346 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">protected</span><span·class="mlabel">virtual</span></span>··</td>
347 ··</tr>347 ··</tr>
348 </table>348 </table>
349 </div><div·class="memdoc">349 </div><div·class="memdoc">
  
350 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>350 <p>Reimplemented·from·<a·class="el"·href="../../de/de3/a08082.html#ad495e3c1cfb9735754566c3d007ae9e7">BALL::VIEW::PositionColorProcessor</a>.</p>
  
351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>351 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
352 </div>352 </div>
353 </div>353 </div>
354 <h2·class="groupheader">Member·Data·Documentation</h2>354 <h2·class="groupheader">Member·Data·Documentation</h2>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d88/a04587.html">List·of·all·members</a>··</div>78 <a·href="../../db/d88/a04587.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Fragment·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Fragment·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Fragment·&gt;:</div>84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Fragment·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>
113 <tr·class="separator:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>
115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00108">108</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="af2fd9d4c552527f8ba4a9518611d6501"·name="af2fd9d4c552527f8ba4a9518611d6501"></a>121 <a·id="af2fd9d4c552527f8ba4a9518611d6501"·name="af2fd9d4c552527f8ba4a9518611d6501"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#af2fd9d4c552527f8ba4a9518611d6501">&#9670;&#160;</a></span>~KernelPredicate()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#af2fd9d4c552527f8ba4a9518611d6501">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
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143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#aa48640e1f536da69a1952b1e19d4a77c">&#9670;&#160;</a></span>operator()()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#aa48640e1f536da69a1952b1e19d4a77c">&#9670;&#160;</a></span>operator()()</h2>
  
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168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00155">155</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
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179 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8179 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="../../d5/d9d/a03343.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d9d/a03343.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;:</div>83 Inheritance·diagram·for·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
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88 <area·href="../../d6/dd5/a03214.html"·alt="BALL::BinaryFunctor&lt;·T1,·T2,·Processor::Result·&gt;"·shape="rect"·coords="0,0,298,24"/>88 <area·href="../../d6/dd5/a03214.html"·alt="BALL::BinaryFunctor&lt;·T1,·T2,·Processor::Result·&gt;"·shape="rect"·coords="0,0,298,24"/>
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128 <tr·class="separator:a4d19e0031e04ca4c2fe2ea456859e461·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a4d19e0031e04ca4c2fe2ea456859e461·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 <tr·class="memitem:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"·id="r_a0f977c8d9e7b181a901b7f5747c43c07"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T2·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html#a0f977c8d9e7b181a901b7f5747c43c07">const_second_argument_pointer</a></td></tr>129 <tr·class="memitem:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"·id="r_a0f977c8d9e7b181a901b7f5747c43c07"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T2·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html#a0f977c8d9e7b181a901b7f5747c43c07">const_second_argument_pointer</a></td></tr>
130 <tr·class="separator:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a0f977c8d9e7b181a901b7f5747c43c07·inherit·pub_types_a03214"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>133 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>
134 class·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;</div>134 class·BALL::ConstBinaryProcessor&lt;·T1,·T2·&gt;</div>
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
136 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>136 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
137 <a·id="a5d2ea44213fe53fa1ca10ab912e3c29e"·name="a5d2ea44213fe53fa1ca10ab912e3c29e"></a>137 <a·id="a5d2ea44213fe53fa1ca10ab912e3c29e"·name="a5d2ea44213fe53fa1ca10ab912e3c29e"></a>
138 <h2·class="memtitle"><span·class="permalink"><a·href="#a5d2ea44213fe53fa1ca10ab912e3c29e">&#9670;&#160;</a></span>~ConstBinaryProcessor()</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#a5d2ea44213fe53fa1ca10ab912e3c29e">&#9670;&#160;</a></span>~ConstBinaryProcessor()</h2>
  
139 <div·class="memitem">139 <div·class="memitem">
140 <div·class="memproto">140 <div·class="memproto">
141 <div·class="memtemplate">141 <div·class="memtemplate">
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156 ··<td·class="mlabels-right">156 ··<td·class="mlabels-right">
157 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>157 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
158 ··</tr>158 ··</tr>
159 </table>159 </table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
161 <p>Destructor·</p>161 <p>Destructor·</p>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 <h2·class="groupheader">Member·Function·Documentation</h2>165 <h2·class="groupheader">Member·Function·Documentation</h2>
166 <a·id="a19009e64df473db327d0a8a0c8c3084d"·name="a19009e64df473db327d0a8a0c8c3084d"></a>166 <a·id="a19009e64df473db327d0a8a0c8c3084d"·name="a19009e64df473db327d0a8a0c8c3084d"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a19009e64df473db327d0a8a0c8c3084d">&#9670;&#160;</a></span>finish()</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a19009e64df473db327d0a8a0c8c3084d">&#9670;&#160;</a></span>finish()</h2>
  
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187 ··<td·class="mlabels-right">187 ··<td·class="mlabels-right">
188 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>188 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
189 ··</tr>189 ··</tr>
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191 </div><div·class="memdoc">191 </div><div·class="memdoc">
192 <p>finish·method·</p>192 <p>finish·method·</p>
  
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
194 </div>194 </div>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d6/d22/a00245_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/d22/a00245_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RunPythonThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RunPythonThread·Class·Reference</div></div>
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82 <div·class="contents">82 <div·class="contents">
  
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112 <div·class="textblock">112 <div·class="textblock">
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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79 </div><!--header-->79 </div><!--header-->
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85 <p><a·href="../../d6/d27/a01163_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d6/d27/a01163_source.html">Go·to·the·source·code·of·this·file.</a></p>
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83 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
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85 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
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90 <code>#include·&lt;vector&gt;</code><br·/> 
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93 <p><a·href="../../d6/d27/a01781_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d6/d27/a01781_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 <a·href="../../da/d9e/a03059.html">List·of·all·members</a>··</div>79 <a·href="../../da/d9e/a03059.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexOverflow·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexOverflow·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::IndexOverflow:</div>85 Inheritance·diagram·for·BALL::Exception::IndexOverflow:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
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149 ··<table·class="params">149 ··<table·class="params">
150 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>150 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>
151 ····<tr><td·class="paramname">size</td><td>largest·value·allowed·for·index·</td></tr>151 ····<tr><td·class="paramname">size</td><td>largest·value·allowed·for·index·</td></tr>
152 ··</table>152 ··</table>
153 ··</dd>153 ··</dd>
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155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
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158 <h2·class="memtitle"><span·class="permalink"><a·href="#a083222a94f90ffd59f8ce0f7c898f1e6">&#9670;&#160;</a></span>IndexOverflow()</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a083222a94f90ffd59f8ce0f7c898f1e6">&#9670;&#160;</a></span>IndexOverflow()</h2>
  
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218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
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236 ··</td>236 ··</td>
237 ··<td·class="mlabels-right">237 ··<td·class="mlabels-right">
238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
239 ··</tr>239 ··</tr>
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241 </div><div·class="memdoc">241 </div><div·class="memdoc">
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pairExpInteractionEnergyProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">charmmNonBonded.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d2/df5/a00137_source.html">BALL/MOLMEC/PARAMETER/charmmEEF1.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/> 
89 </div>88 </div>
90 <p><a·href="../../d6/d2d/a00047_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d6/d2d/a00047_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">90 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>92 Classes</h2></td></tr>
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc5/a06522.html">BALL::PairExpInteractionEnergyProcessor::Option</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 </table><table·class="memberdecls">
 101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
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 104 <tr·class="memdesc:ab2c10785a59e30d5d071d26326adcfc3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·NonBonded··<br·/></td></tr>
 105 <tr·class="separator:ab2c10785a59e30d5d071d26326adcfc3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>106 </table>
 107 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 108 <a·id="ab2c10785a59e30d5d071d26326adcfc3"·name="ab2c10785a59e30d5d071d26326adcfc3"></a>
 109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2c10785a59e30d5d071d26326adcfc3">&#9670;&#160;</a></span>CHARMM_NB_ENABLED</h2>
  
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 111 <div·class="memproto">
 112 ······<table·class="memname">
 113 ········<tr>
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 115 ········</tr>
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 118 <p>flag·to·enable·NonBonded·</p>
  
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">embeddable.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">gridVisualisation.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
85 <code>#include·&lt;typeinfo&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../d6/d2f/a01394_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/d2f/a01394_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>87 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html">BALL::Embeddable</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d06/a08166.html">BALL::VIEW::GridVisualisation</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
100 Macros</h2></td></tr> 
101 <tr·class="memitem:a3b71888e44546068e37b21d2be0f9e24"·id="r_a3b71888e44546068e37b21d2be0f9e24"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d2f/a01394.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE</a>(TYPE,··BASE)</td></tr> 
102 <tr·class="separator:a3b71888e44546068e37b21d2be0f9e24"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>97 </table>
104 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
105 <a·id="a3b71888e44546068e37b21d2be0f9e24"·name="a3b71888e44546068e37b21d2be0f9e24"></a> 
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b71888e44546068e37b21d2be0f9e24">&#9670;&#160;</a></span>BALL_EMBEDDABLE</h2> 
  
107 <div·class="memitem"> 
108 <div·class="memproto"> 
109 ······<table·class="memname"> 
110 ········<tr> 
111 ··········<td·class="memname">#define·BALL_EMBEDDABLE</td> 
112 ··········<td>(</td> 
113 ··········<td·class="paramtype">&#160;</td> 
114 ··········<td·class="paramname">TYPE,·</td> 
115 ········</tr> 
116 ········<tr> 
117 ··········<td·class="paramkey"></td> 
118 ··········<td></td> 
119 ··········<td·class="paramtype">&#160;</td> 
120 ··········<td·class="paramname">BASE&#160;</td> 
121 ········</tr> 
122 ········<tr> 
123 ··········<td></td> 
124 ··········<td>)</td> 
125 ··········<td></td><td></td> 
126 ········</tr> 
127 ······</table> 
128 </div><div·class="memdoc"> 
129 <p>Embeddable·macro.·This·macro·defines·all·methods·required·for·clases·derived·from·Embeddable.·It·should·be·included·in·the·class·definition·of·each·of·these·classes,·even·for·classes·further·down·in·the·inheritance.·The·argument·ist·just·the·class·type,·e.g.·BALL::ModularWidget.·</p> 
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">embeddable.h</a>.</p> 
  
131 </div> 
132 </div> 
133 </div><!--·contents·-->98 </div><!--·contents·-->
134 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
135 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
136 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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138 </body>103 </body>
139 </html>104 </html>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d10/a06147.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d10/a06147.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::LinearBaseFunction·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::LinearBaseFunction·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d95/a02075_source.html">BALL/SCORING/COMMON/linearBaseFunction.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/SCORING/COMMON/linearBaseFunction.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::LinearBaseFunction:</div>84 Inheritance·diagram·for·BALL::LinearBaseFunction:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d30/a06150.png"·usemap="#BALL::LinearBaseFunction_map"·alt=""/>87 ··<img·src="../../d6/d30/a06150.png"·usemap="#BALL::LinearBaseFunction_map"·alt=""/>
88 ··<map·id="BALL::LinearBaseFunction_map"·name="BALL::LinearBaseFunction_map">88 ··<map·id="BALL::LinearBaseFunction_map"·name="BALL::LinearBaseFunction_map">
89 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>89 <area·href="../../df/d58/a06118.html"·alt="BALL::ScoringBaseFunction"·shape="rect"·coords="0,0,170,24"/>
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125 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:adab8355ca21367a8cd1d5a9d90340e12·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"·id="r_af4424697aecfa637e161b6e60776960a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>126 <tr·class="memitem:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"·id="r_af4424697aecfa637e161b6e60776960a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d58/a06118.html#af4424697aecfa637e161b6e60776960a">upper_</a></td></tr>
127 <tr·class="separator:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:af4424697aecfa637e161b6e60776960a·inherit·pro_attribs_a06118"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p>Linear·base·function·</p>130 <div·class="textblock"><p>Linear·base·function·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d95/a02075_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d9/d95/a02075_source.html">linearBaseFunction.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">linearBaseFunction.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a7b9a546442dcc5ca2d615f4c8069898b"·name="a7b9a546442dcc5ca2d615f4c8069898b"></a>133 <a·id="a7b9a546442dcc5ca2d615f4c8069898b"·name="a7b9a546442dcc5ca2d615f4c8069898b"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b9a546442dcc5ca2d615f4c8069898b">&#9670;&#160;</a></span>LinearBaseFunction()·<span·class="overload">[1/2]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b9a546442dcc5ca2d615f4c8069898b">&#9670;&#160;</a></span>LinearBaseFunction()·<span·class="overload">[1/2]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/d45/a06251.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d45/a06251.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::CHGroup·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::CHGroup·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a3a2963cbb362f4589ab78b3272b735a1"·id="r_a3a2963cbb362f4589ab78b3272b735a1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a3a2963cbb362f4589ab78b3272b735a1">CHGroup</a>·()</td></tr>86 <tr·class="memitem:a3a2963cbb362f4589ab78b3272b735a1"·id="r_a3a2963cbb362f4589ab78b3272b735a1"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a3a2963cbb362f4589ab78b3272b735a1">CHGroup</a>·()</td></tr>
87 <tr·class="separator:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a3a2963cbb362f4589ab78b3272b735a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a5058e70af8b4d8108e3af79810563d2d"·id="r_a5058e70af8b4d8108e3af79810563d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a5058e70af8b4d8108e3af79810563d2d">~CHGroup</a>·()</td></tr>88 <tr·class="memitem:a5058e70af8b4d8108e3af79810563d2d"·id="r_a5058e70af8b4d8108e3af79810563d2d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a5058e70af8b4d8108e3af79810563d2d">~CHGroup</a>·()</td></tr>
89 <tr·class="separator:a5058e70af8b4d8108e3af79810563d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a5058e70af8b4d8108e3af79810563d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 <tr·class="separator:a98c7eff24a20f4df61dacb03449548cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a98c7eff24a20f4df61dacb03449548cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:a47059722a1665354fa55fc91def85a0d"·id="r_a47059722a1665354fa55fc91def85a0d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a47059722a1665354fa55fc91def85a0d">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>105 <tr·class="memitem:a47059722a1665354fa55fc91def85a0d"·id="r_a47059722a1665354fa55fc91def85a0d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3a/a06254.html#a47059722a1665354fa55fc91def85a0d">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
106 <tr·class="separator:a47059722a1665354fa55fc91def85a0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a47059722a1665354fa55fc91def85a0d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>109 <div·class="textblock"><p>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">CHPISlick.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="a3a2963cbb362f4589ab78b3272b735a1"·name="a3a2963cbb362f4589ab78b3272b735a1"></a>112 <a·id="a3a2963cbb362f4589ab78b3272b735a1"·name="a3a2963cbb362f4589ab78b3272b735a1"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a2963cbb362f4589ab78b3272b735a1">&#9670;&#160;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a2963cbb362f4589ab78b3272b735a1">&#9670;&#160;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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228 ··</td>228 ··</td>
229 ··<td·class="mlabels-right">229 ··<td·class="mlabels-right">
230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
231 ··</tr>231 ··</tr>
232 </table>232 </table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">CHPISlick.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
  
235 </div>235 </div>
236 </div>236 </div>
237 <a·id="ae3285b23237b12f8b081973673cb6094"·name="ae3285b23237b12f8b081973673cb6094"></a>237 <a·id="ae3285b23237b12f8b081973673cb6094"·name="ae3285b23237b12f8b081973673cb6094"></a>
238 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3285b23237b12f8b081973673cb6094">&#9670;&#160;</a></span>getHAtom()</h2>238 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3285b23237b12f8b081973673cb6094">&#9670;&#160;</a></span>getHAtom()</h2>
  
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255 ··</td>255 ··</td>
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257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
258 ··</tr>258 ··</tr>
259 </table>259 </table>
260 </div><div·class="memdoc">260 </div><div·class="memdoc">
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">CHPISlick.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
  
262 </div>262 </div>
263 </div>263 </div>
264 <a·id="a8a009b424b2a1e878d9772439592e537"·name="a8a009b424b2a1e878d9772439592e537"></a>264 <a·id="a8a009b424b2a1e878d9772439592e537"·name="a8a009b424b2a1e878d9772439592e537"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a009b424b2a1e878d9772439592e537">&#9670;&#160;</a></span>setAtoms()</h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a009b424b2a1e878d9772439592e537">&#9670;&#160;</a></span>setAtoms()</h2>
  
266 <div·class="memitem">266 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d4/ddd/a05199.html">List·of·all·members</a>··</div>78 <a·href="../../d4/ddd/a05199.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d22/a01514_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aad14d300e733d74e3619fef461c4d48b"·id="r_aad14d300e733d74e3619fef461c4d48b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#aad14d300e733d74e3619fef461c4d48b">UPDATE_METHOD</a></td></tr>86 <tr·class="memitem:aad14d300e733d74e3619fef461c4d48b"·id="r_aad14d300e733d74e3619fef461c4d48b"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#aad14d300e733d74e3619fef461c4d48b">UPDATE_METHOD</a></td></tr>
87 <tr·class="separator:aad14d300e733d74e3619fef461c4d48b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aad14d300e733d74e3619fef461c4d48b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a44b5068e06928da7fad765fbef361ba9"·id="r_a44b5068e06928da7fad765fbef361ba9"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a44b5068e06928da7fad765fbef361ba9">CORRECTION_PARAMETER</a></td></tr>88 <tr·class="memitem:a44b5068e06928da7fad765fbef361ba9"·id="r_a44b5068e06928da7fad765fbef361ba9"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a44b5068e06928da7fad765fbef361ba9">CORRECTION_PARAMETER</a></td></tr>
89 <tr·class="separator:a44b5068e06928da7fad765fbef361ba9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a44b5068e06928da7fad765fbef361ba9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a687cc5f768f59e0ded73f5a46d1d90b7"·id="r_a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a687cc5f768f59e0ded73f5a46d1d90b7">NUM_OF_COLUMNS</a></td></tr>90 <tr·class="memitem:a687cc5f768f59e0ded73f5a46d1d90b7"·id="r_a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html#a687cc5f768f59e0ded73f5a46d1d90b7">NUM_OF_COLUMNS</a></td></tr>
91 <tr·class="separator:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a687cc5f768f59e0ded73f5a46d1d90b7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a44b5068e06928da7fad765fbef361ba9"·name="a44b5068e06928da7fad765fbef361ba9"></a>97 <a·id="a44b5068e06928da7fad765fbef361ba9"·name="a44b5068e06928da7fad765fbef361ba9"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a44b5068e06928da7fad765fbef361ba9">&#9670;&#160;</a></span>CORRECTION_PARAMETER</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a44b5068e06928da7fad765fbef361ba9">&#9670;&#160;</a></span>CORRECTION_PARAMETER</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>Which·correction·parameter·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RATIO_OF_SHIFT_PARAMS.·</p>117 <p>Which·correction·parameter·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RATIO_OF_SHIFT_PARAMS.·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="a687cc5f768f59e0ded73f5a46d1d90b7"·name="a687cc5f768f59e0ded73f5a46d1d90b7"></a>121 <a·id="a687cc5f768f59e0ded73f5a46d1d90b7"·name="a687cc5f768f59e0ded73f5a46d1d90b7"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a687cc5f768f59e0ded73f5a46d1d90b7">&#9670;&#160;</a></span>NUM_OF_COLUMNS</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a687cc5f768f59e0ded73f5a46d1d90b7">&#9670;&#160;</a></span>NUM_OF_COLUMNS</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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137 ··<td·class="mlabels-right">137 ··<td·class="mlabels-right">
138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
139 ··</tr>139 ··</tr>
140 </table>140 </table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
142 <p>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·5.·</p>142 <p>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·5.·</p>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="aad14d300e733d74e3619fef461c4d48b"·name="aad14d300e733d74e3619fef461c4d48b"></a>146 <a·id="aad14d300e733d74e3619fef461c4d48b"·name="aad14d300e733d74e3619fef461c4d48b"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#aad14d300e733d74e3619fef461c4d48b">&#9670;&#160;</a></span>UPDATE_METHOD</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#aad14d300e733d74e3619fef461c4d48b">&#9670;&#160;</a></span>UPDATE_METHOD</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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162 ··<td·class="mlabels-right">162 ··<td·class="mlabels-right">
163 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>163 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
164 ··</tr>164 ··</tr>
165 </table>165 </table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
167 <p>Which·update·method·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RANK_2.·</p>167 <p>Which·update·method·should·be·used?·<a·class="el"·href="../../d6/d3b/a05202.html">Default</a>·is·RANK_2.·</p>
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 </div><!--·contents·-->171 </div><!--·contents·-->
172 <!--·start·footer·part·-->172 <!--·start·footer·part·-->
173 <hr·class="footer"/><address·class="footer"><small>173 <hr·class="footer"/><address·class="footer"><small>
174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·RDFParameter.h·File·Reference</title>8 <title>BALL:·rGroupAssembler.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">RDFParameter.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">rGroupAssembler.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
 82 <div·class="textblock"><code>#include·&lt;map&gt;</code><br·/>
 83 <code>#include·&lt;vector&gt;</code><br·/>
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>88 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
86 </div>90 </div>
87 <p><a·href="../../d6/d3d/a01784_source.html">Go·to·the·source·code·of·this·file.</a></p>91 <p><a·href="../../d6/d3d/a01784_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">92 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>94 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d75/a07034.html">BALL::RDFParameter</a></td></tr>95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html">BALL::RGroupAssembler</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">97 </table><table·class="memberdecls">
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95 Namespaces</h2></td></tr>99 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d7/d2a/a06883.html">List·of·all·members</a>··</div>77 <a·href="../../d7/d2a/a06883.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::GeometricCenterProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::GeometricCenterProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::GeometricCenterProcessor:</div>83 Inheritance·diagram·for·BALL::GeometricCenterProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d3f/a06886.png"·usemap="#BALL::GeometricCenterProcessor_map"·alt=""/>86 ··<img·src="../../d6/d3f/a06886.png"·usemap="#BALL::GeometricCenterProcessor_map"·alt=""/>
87 ··<map·id="BALL::GeometricCenterProcessor_map"·name="BALL::GeometricCenterProcessor_map">87 ··<map·id="BALL::GeometricCenterProcessor_map"·name="BALL::GeometricCenterProcessor_map">
88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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127 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p>Calculates·the·geometric·center·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·This·processor·calculates·the·geometric·center·of·the·atom·coordinates·of·a·given·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>The·geometric·center·is·calculated·as·follows:·</dd></dl>130 <div·class="textblock"><p>Calculates·the·geometric·center·of·a·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·This·processor·calculates·the·geometric·center·of·the·atom·coordinates·of·a·given·molecular·object.·</p><dl·class="section·user"><dt></dt><dd>The·geometric·center·is·calculated·as·follows:·</dd></dl>
131 <dl·class="section·user"><dt></dt><dd>[·\vec{C}·=·\frac{1}{N}·\sum_{i}{N}·\vec{r_i}·]·Where·$\vec{r_i}$·represents·the·coordinates·of·the·ith·atom.·</dd></dl>131 <dl·class="section·user"><dt></dt><dd>[·\vec{C}·=·\frac{1}{N}·\sum_{i}{N}·\vec{r_i}·]·Where·$\vec{r_i}$·represents·the·coordinates·of·the·ith·atom.·</dd></dl>
132 <dl·class="section·user"><dt></dt><dd></dd></dl>132 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
134 </div><h2·class="groupheader">Member·Function·Documentation</h2>134 </div><h2·class="groupheader">Member·Function·Documentation</h2>
135 <a·id="a81a6e09db713ae534841b16ce0df0f83"·name="a81a6e09db713ae534841b16ce0df0f83"></a>135 <a·id="a81a6e09db713ae534841b16ce0df0f83"·name="a81a6e09db713ae534841b16ce0df0f83"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a81a6e09db713ae534841b16ce0df0f83">&#9670;&#160;</a></span>finish()</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a81a6e09db713ae534841b16ce0df0f83">&#9670;&#160;</a></span>finish()</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 <table·class="mlabels">139 <table·class="mlabels">
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200 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>200 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
201 ··</tr>201 ··</tr>
202 </table>202 </table>
203 </div><div·class="memdoc">203 </div><div·class="memdoc">
  
204 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>204 <p>Reimplemented·from·<a·class="el"·href="../../db/dee/a03338.html#a7ae8716d8fcdb01fcccc794d9ae2c29a">BALL::ConstUnaryProcessor&lt;·Atom·&gt;</a>.</p>
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 <a·id="abd6dd939339353494b797bb26d497315"·name="abd6dd939339353494b797bb26d497315"></a>208 <a·id="abd6dd939339353494b797bb26d497315"·name="abd6dd939339353494b797bb26d497315"></a>
209 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6dd939339353494b797bb26d497315">&#9670;&#160;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>209 <h2·class="memtitle"><span·class="permalink"><a·href="#abd6dd939339353494b797bb26d497315">&#9670;&#160;</a></span>operator()()·<span·class="overload">[2/2]</span></h2>
  
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149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <table·class="fieldtable">150 <table·class="fieldtable">
151 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="aab70a3b7e74ca0e899c132ea5a1e9915a73af376a8457712b9d2e8826a1cd6a48"·name="aab70a3b7e74ca0e899c132ea5a1e9915a73af376a8457712b9d2e8826a1cd6a48"></a>edge_bond_ptr&#160;</td><td·class="fielddoc"></td></tr>151 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="aab70a3b7e74ca0e899c132ea5a1e9915a73af376a8457712b9d2e8826a1cd6a48"·name="aab70a3b7e74ca0e899c132ea5a1e9915a73af376a8457712b9d2e8826a1cd6a48"></a>edge_bond_ptr&#160;</td><td·class="fielddoc"></td></tr>
152 </table>152 </table>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="a7ea3d66609d49526a0f1d9e41acbfe45"·name="a7ea3d66609d49526a0f1d9e41acbfe45"></a>156 <a·id="a7ea3d66609d49526a0f1d9e41acbfe45"·name="a7ea3d66609d49526a0f1d9e41acbfe45"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ea3d66609d49526a0f1d9e41acbfe45">&#9670;&#160;</a></span>edge_orig_ptr_t</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ea3d66609d49526a0f1d9e41acbfe45">&#9670;&#160;</a></span>edge_orig_ptr_t</h2>
  
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168 </div><div·class="memdoc">168 </div><div·class="memdoc">
169 <table·class="fieldtable">169 <table·class="fieldtable">
170 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"·name="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"></a>edge_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>170 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"·name="a7ea3d66609d49526a0f1d9e41acbfe45ad4dd12a94d2fcce2e63661941ec088be"></a>edge_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>
171 </table>171 </table>
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
173 </div>173 </div>
174 </div>174 </div>
175 <a·id="a87d27442ae5afaecf2a9e598fb446ac4"·name="a87d27442ae5afaecf2a9e598fb446ac4"></a>175 <a·id="a87d27442ae5afaecf2a9e598fb446ac4"·name="a87d27442ae5afaecf2a9e598fb446ac4"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#a87d27442ae5afaecf2a9e598fb446ac4">&#9670;&#160;</a></span>vertex_atom_ptr_t</h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#a87d27442ae5afaecf2a9e598fb446ac4">&#9670;&#160;</a></span>vertex_atom_ptr_t</h2>
  
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188 <table·class="fieldtable">188 <table·class="fieldtable">
189 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a87d27442ae5afaecf2a9e598fb446ac4a664517580fcbfac1bd9d77bed729125a"·name="a87d27442ae5afaecf2a9e598fb446ac4a664517580fcbfac1bd9d77bed729125a"></a>vertex_atom_ptr&#160;</td><td·class="fielddoc"></td></tr>189 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a87d27442ae5afaecf2a9e598fb446ac4a664517580fcbfac1bd9d77bed729125a"·name="a87d27442ae5afaecf2a9e598fb446ac4a664517580fcbfac1bd9d77bed729125a"></a>vertex_atom_ptr&#160;</td><td·class="fielddoc"></td></tr>
190 </table>190 </table>
  
191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
192 </div>192 </div>
193 </div>193 </div>
194 <a·id="a2fd0e83b1e83f42bc1e1478e553e61c5"·name="a2fd0e83b1e83f42bc1e1478e553e61c5"></a>194 <a·id="a2fd0e83b1e83f42bc1e1478e553e61c5"·name="a2fd0e83b1e83f42bc1e1478e553e61c5"></a>
195 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fd0e83b1e83f42bc1e1478e553e61c5">&#9670;&#160;</a></span>vertex_bag_content_t</h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fd0e83b1e83f42bc1e1478e553e61c5">&#9670;&#160;</a></span>vertex_bag_content_t</h2>
  
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207 <table·class="fieldtable">207 <table·class="fieldtable">
208 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"·name="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"></a>vertex_bag_content&#160;</td><td·class="fielddoc"></td></tr>208 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"·name="a2fd0e83b1e83f42bc1e1478e553e61c5ac0bfd3de45cc56596b226b58e7c53f53"></a>vertex_bag_content&#160;</td><td·class="fielddoc"></td></tr>
209 </table>209 </table>
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
211 </div>211 </div>
212 </div>212 </div>
213 <a·id="a297460c732560bfc6e189f187f9d4fe6"·name="a297460c732560bfc6e189f187f9d4fe6"></a>213 <a·id="a297460c732560bfc6e189f187f9d4fe6"·name="a297460c732560bfc6e189f187f9d4fe6"></a>
214 <h2·class="memtitle"><span·class="permalink"><a·href="#a297460c732560bfc6e189f187f9d4fe6">&#9670;&#160;</a></span>vertex_bag_special_t</h2>214 <h2·class="memtitle"><span·class="permalink"><a·href="#a297460c732560bfc6e189f187f9d4fe6">&#9670;&#160;</a></span>vertex_bag_special_t</h2>
  
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225 </div><div·class="memdoc">225 </div><div·class="memdoc">
226 <table·class="fieldtable">226 <table·class="fieldtable">
227 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a297460c732560bfc6e189f187f9d4fe6a513a2653ad66e6c3105e438112bdb0c1"·name="a297460c732560bfc6e189f187f9d4fe6a513a2653ad66e6c3105e438112bdb0c1"></a>vertex_bag_special&#160;</td><td·class="fielddoc"></td></tr>227 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a297460c732560bfc6e189f187f9d4fe6a513a2653ad66e6c3105e438112bdb0c1"·name="a297460c732560bfc6e189f187f9d4fe6a513a2653ad66e6c3105e438112bdb0c1"></a>vertex_bag_special&#160;</td><td·class="fielddoc"></td></tr>
228 </table>228 </table>
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
230 </div>230 </div>
231 </div>231 </div>
232 <a·id="ad1a2d225245def99c57cf2423484b7e7"·name="ad1a2d225245def99c57cf2423484b7e7"></a>232 <a·id="ad1a2d225245def99c57cf2423484b7e7"·name="ad1a2d225245def99c57cf2423484b7e7"></a>
233 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1a2d225245def99c57cf2423484b7e7">&#9670;&#160;</a></span>vertex_bag_type_t</h2>233 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1a2d225245def99c57cf2423484b7e7">&#9670;&#160;</a></span>vertex_bag_type_t</h2>
  
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244 </div><div·class="memdoc">244 </div><div·class="memdoc">
245 <table·class="fieldtable">245 <table·class="fieldtable">
246 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ad1a2d225245def99c57cf2423484b7e7a2f51514f617866461b98b2d75c0a2f8d"·name="ad1a2d225245def99c57cf2423484b7e7a2f51514f617866461b98b2d75c0a2f8d"></a>vertex_bag_type&#160;</td><td·class="fielddoc"></td></tr>246 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ad1a2d225245def99c57cf2423484b7e7a2f51514f617866461b98b2d75c0a2f8d"·name="ad1a2d225245def99c57cf2423484b7e7a2f51514f617866461b98b2d75c0a2f8d"></a>vertex_bag_type&#160;</td><td·class="fielddoc"></td></tr>
247 </table>247 </table>
  
248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
249 </div>249 </div>
250 </div>250 </div>
251 <a·id="a3a78eebd717beccc5fe14833703f3087"·name="a3a78eebd717beccc5fe14833703f3087"></a>251 <a·id="a3a78eebd717beccc5fe14833703f3087"·name="a3a78eebd717beccc5fe14833703f3087"></a>
252 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a78eebd717beccc5fe14833703f3087">&#9670;&#160;</a></span>vertex_orig_ptr_t</h2>252 <h2·class="memtitle"><span·class="permalink"><a·href="#a3a78eebd717beccc5fe14833703f3087">&#9670;&#160;</a></span>vertex_orig_ptr_t</h2>
  
253 <div·class="memitem">253 <div·class="memitem">
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261 ········</tr>261 ········</tr>
262 ······</table>262 ······</table>
263 </div><div·class="memdoc">263 </div><div·class="memdoc">
264 <table·class="fieldtable">264 <table·class="fieldtable">
265 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a3a78eebd717beccc5fe14833703f3087a4d875da5dabb191f3c4eaac95de775b5"·name="a3a78eebd717beccc5fe14833703f3087a4d875da5dabb191f3c4eaac95de775b5"></a>vertex_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>265 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a3a78eebd717beccc5fe14833703f3087a4d875da5dabb191f3c4eaac95de775b5"·name="a3a78eebd717beccc5fe14833703f3087a4d875da5dabb191f3c4eaac95de775b5"></a>vertex_orig_ptr&#160;</td><td·class="fielddoc"></td></tr>
266 </table>266 </table>
  
267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>267 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
268 </div>268 </div>
269 </div>269 </div>
270 <h2·class="groupheader">Function·Documentation</h2>270 <h2·class="groupheader">Function·Documentation</h2>
271 <a·id="a197553177ee353348ec3f95c88ed8905"·name="a197553177ee353348ec3f95c88ed8905"></a>271 <a·id="a197553177ee353348ec3f95c88ed8905"·name="a197553177ee353348ec3f95c88ed8905"></a>
272 <h2·class="memtitle"><span·class="permalink"><a·href="#a197553177ee353348ec3f95c88ed8905">&#9670;&#160;</a></span>BOOST_INSTALL_PROPERTY()·<span·class="overload">[1/7]</span></h2>272 <h2·class="memtitle"><span·class="permalink"><a·href="#a197553177ee353348ec3f95c88ed8905">&#9670;&#160;</a></span>BOOST_INSTALL_PROPERTY()·<span·class="overload">[1/7]</span></h2>
  
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d5/d60/a05279.html">List·of·all·members</a>··</div>81 <a·href="../../d5/d60/a05279.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchBendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::MMFF94StretchBendParameters:</div>87 Inheritance·diagram·for·BALL::MMFF94StretchBendParameters:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d6/d45/a05282.png"·usemap="#BALL::MMFF94StretchBendParameters_map"·alt=""/>90 ··<img·src="../../d6/d45/a05282.png"·usemap="#BALL::MMFF94StretchBendParameters_map"·alt=""/>
91 ··<map·id="BALL::MMFF94StretchBendParameters_map"·name="BALL::MMFF94StretchBendParameters_map">91 ··<map·id="BALL::MMFF94StretchBendParameters_map"·name="BALL::MMFF94StretchBendParameters_map">
92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,234,24"/>92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,234,24"/>
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160 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>160 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
161 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>161 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
162 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>162 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
163 </table>163 </table>
164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·stretch-bend·interactions·(see·MMFFSTBN.PAR)·</p>165 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·stretch-bend·interactions·(see·MMFFSTBN.PAR)·</p>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
167 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>167 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
168 <a·id="a56ab1823805eac5fc9883a82a5f0d866"·name="a56ab1823805eac5fc9883a82a5f0d866"></a>168 <a·id="a56ab1823805eac5fc9883a82a5f0d866"·name="a56ab1823805eac5fc9883a82a5f0d866"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a56ab1823805eac5fc9883a82a5f0d866">&#9670;&#160;</a></span>StretchBendMap</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a56ab1823805eac5fc9883a82a5f0d866">&#9670;&#160;</a></span>StretchBendMap</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
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176 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d45/a05282.html#a56ab1823805eac5fc9883a82a5f0d866">BALL::MMFF94StretchBendParameters::StretchBendMap</a></td>176 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d45/a05282.html#a56ab1823805eac5fc9883a82a5f0d866">BALL::MMFF94StretchBendParameters::StretchBendMap</a></td>
177 ········</tr>177 ········</tr>
178 ······</table>178 ······</table>
179 </div><div·class="memdoc">179 </div><div·class="memdoc">
  
180 <p>Map·with·the·force·constant·and·reference·angle.·</p>180 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="a9e41e2bd8cf5dd69aab695358c093807"·name="a9e41e2bd8cf5dd69aab695358c093807"></a>185 <a·id="a9e41e2bd8cf5dd69aab695358c093807"·name="a9e41e2bd8cf5dd69aab695358c093807"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e41e2bd8cf5dd69aab695358c093807">&#9670;&#160;</a></span>MMFF94StretchBendParameters()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e41e2bd8cf5dd69aab695358c093807">&#9670;&#160;</a></span>MMFF94StretchBendParameters()</h2>
  
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502 ··</td>502 ··</td>
503 ··<td·class="mlabels-right">503 ··<td·class="mlabels-right">
504 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>504 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
505 ··</tr>505 ··</tr>
506 </table>506 </table>
507 </div><div·class="memdoc">507 </div><div·class="memdoc">
  
508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00356">356</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00356">356</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
509 </div>509 </div>
510 </div>510 </div>
511 <a·id="a0f1fb1de74753b2ad88644f57546ed26"·name="a0f1fb1de74753b2ad88644f57546ed26"></a>511 <a·id="a0f1fb1de74753b2ad88644f57546ed26"·name="a0f1fb1de74753b2ad88644f57546ed26"></a>
512 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f1fb1de74753b2ad88644f57546ed26">&#9670;&#160;</a></span>parameters_</h2>512 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f1fb1de74753b2ad88644f57546ed26">&#9670;&#160;</a></span>parameters_</h2>
  
513 <div·class="memitem">513 <div·class="memitem">
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528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
529 ··</tr>529 ··</tr>
530 </table>530 </table>
531 </div><div·class="memdoc">531 </div><div·class="memdoc">
  
532 <p>parameters·</p>532 <p>parameters·</p>
  
533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00355">355</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00355">355</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
534 </div>534 </div>
535 </div>535 </div>
536 <a·id="ad245c270589252181f848ac2c9521495"·name="ad245c270589252181f848ac2c9521495"></a>536 <a·id="ad245c270589252181f848ac2c9521495"·name="ad245c270589252181f848ac2c9521495"></a>
537 <h2·class="memtitle"><span·class="permalink"><a·href="#ad245c270589252181f848ac2c9521495">&#9670;&#160;</a></span>parameters_by_row_</h2>537 <h2·class="memtitle"><span·class="permalink"><a·href="#ad245c270589252181f848ac2c9521495">&#9670;&#160;</a></span>parameters_by_row_</h2>
  
538 <div·class="memitem">538 <div·class="memitem">
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552 ··</td>552 ··</td>
553 ··<td·class="mlabels-right">553 ··<td·class="mlabels-right">
554 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>554 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
555 ··</tr>555 ··</tr>
556 </table>556 </table>
557 </div><div·class="memdoc">557 </div><div·class="memdoc">
  
558 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>558 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
559 </div>559 </div>
560 </div>560 </div>
561 </div><!--·contents·-->561 </div><!--·contents·-->
562 <!--·start·footer·part·-->562 <!--·start·footer·part·-->
563 <hr·class="footer"/><address·class="footer"><small>563 <hr·class="footer"/><address·class="footer"><small>
564 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8564 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d27/a07395.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d27/a07395.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TCPIOStream·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TCPIOStream·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TCPIOStream:</div>84 Inheritance·diagram·for·BALL::TCPIOStream:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d49/a07398.png"·alt=""/>87 ··<img·src="../../d6/d49/a07398.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
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97 <tr·class="memitem:a836f056c658e2c201a90c1e3ee8237b3"·id="r_a836f056c658e2c201a90c1e3ee8237b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html#a836f056c658e2c201a90c1e3ee8237b3">TCPIOStream</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hostname,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·port)</td></tr>97 <tr·class="memitem:a836f056c658e2c201a90c1e3ee8237b3"·id="r_a836f056c658e2c201a90c1e3ee8237b3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d49/a07398.html#a836f056c658e2c201a90c1e3ee8237b3">TCPIOStream</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hostname,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·port)</td></tr>
98 <tr·class="separator:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a836f056c658e2c201a90c1e3ee8237b3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p>This·class·provides·a·very·thin·layer·around·the·asio·(or·boost::asio,·depending·on·your·setup)·functions·for·handling·asynchronous·io.</p>101 <div·class="textblock"><p>This·class·provides·a·very·thin·layer·around·the·asio·(or·boost::asio,·depending·on·your·setup)·functions·for·handling·asynchronous·io.</p>
102 <p>Please·use·this·class·instead·of·asio·directly·whenever·possible,·since·we·want·to·encapsulate·a·number·of·details·(asio·-·namespace,·correct·names·of·header·files,·...)·to·allow·boost-integrated·asio·as·well·as·the·pure·library.·</p>102 <p>Please·use·this·class·instead·of·asio·directly·whenever·possible,·since·we·want·to·encapsulate·a·number·of·details·(asio·-·namespace,·correct·names·of·header·files,·...)·to·allow·boost-integrated·asio·as·well·as·the·pure·library.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a70a4db3daad8dde01b25cacfb4c7b1af"·name="a70a4db3daad8dde01b25cacfb4c7b1af"></a>105 <a·id="a70a4db3daad8dde01b25cacfb4c7b1af"·name="a70a4db3daad8dde01b25cacfb4c7b1af"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a70a4db3daad8dde01b25cacfb4c7b1af">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[1/3]</span></h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a70a4db3daad8dde01b25cacfb4c7b1af">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[1/3]</span></h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <table·class="mlabels">109 <table·class="mlabels">
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122 ··</td>122 ··</td>
123 ··<td·class="mlabels-right">123 ··<td·class="mlabels-right">
124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
125 ··</tr>125 ··</tr>
126 </table>126 </table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <a·id="a7550262f8369c4818380352f1d65eae2"·name="a7550262f8369c4818380352f1d65eae2"></a>131 <a·id="a7550262f8369c4818380352f1d65eae2"·name="a7550262f8369c4818380352f1d65eae2"></a>
132 <h2·class="memtitle"><span·class="permalink"><a·href="#a7550262f8369c4818380352f1d65eae2">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[2/3]</span></h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#a7550262f8369c4818380352f1d65eae2">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[2/3]</span></h2>
  
133 <div·class="memitem">133 <div·class="memitem">
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161 ··<td·class="mlabels-right">161 ··<td·class="mlabels-right">
162 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>162 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
163 ··</tr>163 ··</tr>
164 </table>164 </table>
165 </div><div·class="memdoc">165 </div><div·class="memdoc">
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
167 </div>167 </div>
168 </div>168 </div>
169 <a·id="a836f056c658e2c201a90c1e3ee8237b3"·name="a836f056c658e2c201a90c1e3ee8237b3"></a>169 <a·id="a836f056c658e2c201a90c1e3ee8237b3"·name="a836f056c658e2c201a90c1e3ee8237b3"></a>
170 <h2·class="memtitle"><span·class="permalink"><a·href="#a836f056c658e2c201a90c1e3ee8237b3">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[3/3]</span></h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#a836f056c658e2c201a90c1e3ee8237b3">&#9670;&#160;</a></span>TCPIOStream()·<span·class="overload">[3/3]</span></h2>
  
171 <div·class="memitem">171 <div·class="memitem">
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198 ··</td>198 ··</td>
199 ··<td·class="mlabels-right">199 ··<td·class="mlabels-right">
200 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>200 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
201 ··</tr>201 ··</tr>
202 </table>202 </table>
203 </div><div·class="memdoc">203 </div><div·class="memdoc">
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
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209 <hr·class="footer"/><address·class="footer"><small>209 <hr·class="footer"/><address·class="footer"><small>
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81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;82 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
83 <a·href="../../d1/de1/a08011.html">List·of·all·members</a>··</div>83 <a·href="../../d1/de1/a08011.html">List·of·all·members</a>··</div>
84 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIOperationMode·Class·Reference</div></div>84 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIOperationMode·Class·Reference</div></div>
85 </div><!--header-->85 </div><!--header-->
86 <div·class="contents">86 <div·class="contents">
  
87 <p><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code></p>87 <p><code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
90 Public·Types</h2></td></tr>90 Public·Types</h2></td></tr>
91 <tr·class="memitem:aa6ed37ef1f10b6991c83722ec811cff7"·id="r_aa6ed37ef1f10b6991c83722ec811cff7"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7">OperationMode</a>·{·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a9588e48658cdd7cff034dd329ec9086b">MODE_FULL</a>·=·091 <tr·class="memitem:aa6ed37ef1f10b6991c83722ec811cff7"·id="r_aa6ed37ef1f10b6991c83722ec811cff7"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7">OperationMode</a>·{·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a9588e48658cdd7cff034dd329ec9086b">MODE_FULL</a>·=·0
92 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b">MODE_ADVANCED</a>92 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b">MODE_ADVANCED</a>
93 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413">MODE_KIOSK</a>93 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413">MODE_KIOSK</a>
94 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0">MODE_ALL</a>94 ,·<a·class="el"·href="../../d6/d4e/a08014.html#aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0">MODE_ALL</a>
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136 <tr·class="separator:a960d89128dd8e030708c5c27730c7c9c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a960d89128dd8e030708c5c27730c7c9c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 <tr·class="memitem:a353559541921d92cebf53e81f65c7fbb"·id="r_a353559541921d92cebf53e81f65c7fbb"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a973c78a12d2d4c404701f52408e1755e">Mutex</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d4e/a08014.html#a353559541921d92cebf53e81f65c7fbb">create_mutex_</a></td></tr>137 <tr·class="memitem:a353559541921d92cebf53e81f65c7fbb"·id="r_a353559541921d92cebf53e81f65c7fbb"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a973c78a12d2d4c404701f52408e1755e">Mutex</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d4e/a08014.html#a353559541921d92cebf53e81f65c7fbb">create_mutex_</a></td></tr>
138 <tr·class="separator:a353559541921d92cebf53e81f65c7fbb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a353559541921d92cebf53e81f65c7fbb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 </table>139 </table>
140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
141 <div·class="textblock"><p>A·singleton·that·manages·the·operation·mode·of·our·user·interface.·</p>141 <div·class="textblock"><p>A·singleton·that·manages·the·operation·mode·of·our·user·interface.·</p>
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd5/a00215_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/dd5/a00215_source.html">UIOperationMode.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
143 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>143 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
144 <a·id="aa6ed37ef1f10b6991c83722ec811cff7"·name="aa6ed37ef1f10b6991c83722ec811cff7"></a>144 <a·id="aa6ed37ef1f10b6991c83722ec811cff7"·name="aa6ed37ef1f10b6991c83722ec811cff7"></a>
145 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6ed37ef1f10b6991c83722ec811cff7">&#9670;&#160;</a></span>OperationMode</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6ed37ef1f10b6991c83722ec811cff7">&#9670;&#160;</a></span>OperationMode</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
147 <div·class="memproto">147 <div·class="memproto">
148 ······<table·class="memname">148 ······<table·class="memname">
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156 <table·class="fieldtable">156 <table·class="fieldtable">
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158 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b"·name="aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b"></a>MODE_ADVANCED&#160;</td><td·class="fielddoc"></td></tr>158 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b"·name="aa6ed37ef1f10b6991c83722ec811cff7a4f020a54b330e2be5fc5f072ceea734b"></a>MODE_ADVANCED&#160;</td><td·class="fielddoc"></td></tr>
159 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413"·name="aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413"></a>MODE_KIOSK&#160;</td><td·class="fielddoc"></td></tr>159 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413"·name="aa6ed37ef1f10b6991c83722ec811cff7a12ce87d490e335bfd6aa9103ed755413"></a>MODE_KIOSK&#160;</td><td·class="fielddoc"></td></tr>
160 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0"·name="aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0"></a>MODE_ALL&#160;</td><td·class="fielddoc"></td></tr>160 <tr><td·class="fieldname"><a·id="aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0"·name="aa6ed37ef1f10b6991c83722ec811cff7a5c30b9b12851b1af9f19c507543545e0"></a>MODE_ALL&#160;</td><td·class="fielddoc"></td></tr>
161 </table>161 </table>
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd5/a00215_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/dd5/a00215_source.html">UIOperationMode.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>165 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
166 <a·id="a48859f6f86b88a19cf7b1f5dd5d1c237"·name="a48859f6f86b88a19cf7b1f5dd5d1c237"></a>166 <a·id="a48859f6f86b88a19cf7b1f5dd5d1c237"·name="a48859f6f86b88a19cf7b1f5dd5d1c237"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a48859f6f86b88a19cf7b1f5dd5d1c237">&#9670;&#160;</a></span>~UIOperationMode()</h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a48859f6f86b88a19cf7b1f5dd5d1c237">&#9670;&#160;</a></span>~UIOperationMode()</h2>
  
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396 ··</td>396 ··</td>
397 ··<td·class="mlabels-right">397 ··<td·class="mlabels-right">
398 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>398 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
399 ··</tr>399 ··</tr>
400 </table>400 </table>
401 </div><div·class="memdoc">401 </div><div·class="memdoc">
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dd5/a00215_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d3/dd5/a00215_source.html">UIOperationMode.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d48/a00995_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d48/a00995_source.html">UIOperationMode.h</a>.</p>
  
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
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84 <p><a·href="../../d6/d53/a01688_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/d53/a01688_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::APSMatcher::APSTerm·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::APSMatcher::APSTerm·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
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101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a65302c18e337b08df1b4abc2357f77d9"·name="a65302c18e337b08df1b4abc2357f77d9"></a>102 <a·id="a65302c18e337b08df1b4abc2357f77d9"·name="a65302c18e337b08df1b4abc2357f77d9"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a65302c18e337b08df1b4abc2357f77d9">&#9670;&#160;</a></span>APSTerm()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a65302c18e337b08df1b4abc2357f77d9">&#9670;&#160;</a></span>APSTerm()</h2>
  
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131 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>131 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
136 </div>136 </div>
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138 <h2·class="groupheader">Member·Data·Documentation</h2>138 <h2·class="groupheader">Member·Data·Documentation</h2>
139 <a·id="a7f20a248471a475358f307d163b809a5"·name="a7f20a248471a475358f307d163b809a5"></a>139 <a·id="a7f20a248471a475358f307d163b809a5"·name="a7f20a248471a475358f307d163b809a5"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f20a248471a475358f307d163b809a5">&#9670;&#160;</a></span>feature_number</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f20a248471a475358f307d163b809a5">&#9670;&#160;</a></span>feature_number</h2>
  
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148 ··········<td·class="memname">int·BALL::GAFFCESParser::APSMatcher::APSTerm::feature_number</td>148 ··········<td·class="memname">int·BALL::GAFFCESParser::APSMatcher::APSTerm::feature_number</td>
149 ········</tr>149 ········</tr>
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87 <tr·class="separator:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a4d0436137c6c56f39f49ecaeca5b4e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ac194530ab12c17abbb7f818428e9eb18"·id="r_ac194530ab12c17abbb7f818428e9eb18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#ac194530ab12c17abbb7f818428e9eb18">AromaticRing</a>·(const·<a·class="el"·href="../../d6/d60/a06230.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>88 <tr·class="memitem:ac194530ab12c17abbb7f818428e9eb18"·id="r_ac194530ab12c17abbb7f818428e9eb18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#ac194530ab12c17abbb7f818428e9eb18">AromaticRing</a>·(const·<a·class="el"·href="../../d6/d60/a06230.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>
89 <tr·class="separator:ac194530ab12c17abbb7f818428e9eb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac194530ab12c17abbb7f818428e9eb18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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102 <tr·class="separator:a2af7bbc604937aadcc7663319008af77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a2af7bbc604937aadcc7663319008af77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:a72c3fa50aaaf49d8c743fbee0fe6960d"·id="r_a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a72c3fa50aaaf49d8c743fbee0fe6960d">update</a>·()</td></tr>103 <tr·class="memitem:a72c3fa50aaaf49d8c743fbee0fe6960d"·id="r_a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a06230.html#a72c3fa50aaaf49d8c743fbee0fe6960d">update</a>·()</td></tr>
104 <tr·class="separator:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a72c3fa50aaaf49d8c743fbee0fe6960d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>107 <div·class="textblock"><p>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a4d0436137c6c56f39f49ecaeca5b4e6c"·name="a4d0436137c6c56f39f49ecaeca5b4e6c"></a>110 <a·id="a4d0436137c6c56f39f49ecaeca5b4e6c"·name="a4d0436137c6c56f39f49ecaeca5b4e6c"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d0436137c6c56f39f49ecaeca5b4e6c">&#9670;&#160;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a4d0436137c6c56f39f49ecaeca5b4e6c">&#9670;&#160;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/db9/a08407.html">List·of·all·members</a>··</div>78 <a·href="../../d6/db9/a08407.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ComboBoxDelegate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ComboBoxDelegate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d5d/a00311_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ComboBoxDelegate:</div>84 Inheritance·diagram·for·BALL::VIEW::ComboBoxDelegate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d60/a08410.png"·usemap="#BALL::VIEW::ComboBoxDelegate_map"·alt=""/>87 ··<img·src="../../d6/d60/a08410.png"·usemap="#BALL::VIEW::ComboBoxDelegate_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ComboBoxDelegate_map"·name="BALL::VIEW::ComboBoxDelegate_map">88 ··<map·id="BALL::VIEW::ComboBoxDelegate_map"·name="BALL::VIEW::ComboBoxDelegate_map">
89 <area·href="../../df/dc8/a20086.html"·alt="QItemDelegate"·shape="rect"·coords="0,0,196,24"/>89 <area·href="../../df/dc8/a20086.html"·alt="QItemDelegate"·shape="rect"·coords="0,0,196,24"/>
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102 <tr·class="memitem:a42ebdd0ad7ddba8c2fdfa7264667416a"·id="r_a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a42ebdd0ad7ddba8c2fdfa7264667416a">setModelData</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·QAbstractItemModel·*model,·const·QModelIndex·&amp;index)·const</td></tr>102 <tr·class="memitem:a42ebdd0ad7ddba8c2fdfa7264667416a"·id="r_a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a42ebdd0ad7ddba8c2fdfa7264667416a">setModelData</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·QAbstractItemModel·*model,·const·QModelIndex·&amp;index)·const</td></tr>
103 <tr·class="separator:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a42ebdd0ad7ddba8c2fdfa7264667416a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 <tr·class="memitem:a82a2651b03c094ed072e0fc0b1015a82"·id="r_a82a2651b03c094ed072e0fc0b1015a82"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a82a2651b03c094ed072e0fc0b1015a82">updateEditorGeometry</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·const·QStyleOptionViewItem·&amp;option,·const·QModelIndex·&amp;index)·const</td></tr>104 <tr·class="memitem:a82a2651b03c094ed072e0fc0b1015a82"·id="r_a82a2651b03c094ed072e0fc0b1015a82"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d60/a08410.html#a82a2651b03c094ed072e0fc0b1015a82">updateEditorGeometry</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*editor,·const·QStyleOptionViewItem·&amp;option,·const·QModelIndex·&amp;index)·const</td></tr>
105 <tr·class="separator:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a82a2651b03c094ed072e0fc0b1015a82"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock">108 <div·class="textblock">
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">hotkeyTable.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="a0ec20e9d68113656c0c18597626fc9f7"·name="a0ec20e9d68113656c0c18597626fc9f7"></a>111 <a·id="a0ec20e9d68113656c0c18597626fc9f7"·name="a0ec20e9d68113656c0c18597626fc9f7"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ec20e9d68113656c0c18597626fc9f7">&#9670;&#160;</a></span>ComboBoxDelegate()</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ec20e9d68113656c0c18597626fc9f7">&#9670;&#160;</a></span>ComboBoxDelegate()</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
115 ······<table·class="memname">115 ······<table·class="memname">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d5/d5a/a05239.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d5a/a05239.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::MMFF94OutOfPlaneBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::MMFF94OutOfPlaneBend·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/MOLMEC/MMFF94/MMFF94OutOfPlaneBend.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dfe/a00125_source.html">BALL/MOLMEC/MMFF94/MMFF94OutOfPlaneBend.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::MMFF94OutOfPlaneBend:</div>85 Inheritance·diagram·for·BALL::MMFF94OutOfPlaneBend:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d6/d63/a05242.png"·usemap="#BALL::MMFF94OutOfPlaneBend_map"·alt=""/>88 ··<img·src="../../d6/d63/a05242.png"·usemap="#BALL::MMFF94OutOfPlaneBend_map"·alt=""/>
89 ··<map·id="BALL::MMFF94OutOfPlaneBend_map"·name="BALL::MMFF94OutOfPlaneBend_map">89 ··<map·id="BALL::MMFF94OutOfPlaneBend_map"·name="BALL::MMFF94OutOfPlaneBend_map">
90 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,196,80"/>90 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,196,80"/>
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238 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>238 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
239 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>239 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
240 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>240 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
241 </table>241 </table>
242 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>242 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
243 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·Out·of·plane·component·</p>243 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·Out·of·plane·component·</p>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">MMFF94OutOfPlaneBend.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dfe/a00125_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../dc/dfe/a00125_source.html">MMFF94OutOfPlaneBend.h</a>.</p>
245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
246 <a·id="a7056b9c9d9e49b7bb856d29141140644"·name="a7056b9c9d9e49b7bb856d29141140644"></a>246 <a·id="a7056b9c9d9e49b7bb856d29141140644"·name="a7056b9c9d9e49b7bb856d29141140644"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a7056b9c9d9e49b7bb856d29141140644">&#9670;&#160;</a></span>MMFF94OutOfPlaneBend()·<span·class="overload">[1/3]</span></h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a7056b9c9d9e49b7bb856d29141140644">&#9670;&#160;</a></span>MMFF94OutOfPlaneBend()·<span·class="overload">[1/3]</span></h2>
  
248 <div·class="memitem">248 <div·class="memitem">
249 <div·class="memproto">249 <div·class="memproto">
250 ······<table·class="memname">250 ······<table·class="memname">
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386 ··</td>386 ··</td>
387 ··<td·class="mlabels-right">387 ··<td·class="mlabels-right">
388 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>388 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
389 ··</tr>389 ··</tr>
390 </table>390 </table>
391 </div><div·class="memdoc">391 </div><div·class="memdoc">
  
392 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">MMFF94OutOfPlaneBend.h</a>.</p>392 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dfe/a00125_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/dfe/a00125_source.html">MMFF94OutOfPlaneBend.h</a>.</p>
  
393 </div>393 </div>
394 </div>394 </div>
395 <a·id="af863150866399c1a89d5bd16224d8e5a"·name="af863150866399c1a89d5bd16224d8e5a"></a>395 <a·id="af863150866399c1a89d5bd16224d8e5a"·name="af863150866399c1a89d5bd16224d8e5a"></a>
396 <h2·class="memtitle"><span·class="permalink"><a·href="#af863150866399c1a89d5bd16224d8e5a">&#9670;&#160;</a></span>setup()</h2>396 <h2·class="memtitle"><span·class="permalink"><a·href="#af863150866399c1a89d5bd16224d8e5a">&#9670;&#160;</a></span>setup()</h2>
  
397 <div·class="memitem">397 <div·class="memitem">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d33/a07815.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d33/a07815.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Message·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Message·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Message:</div>83 Inheritance·diagram·for·BALL::VIEW::Message:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d6e/a07818.png"·usemap="#BALL::VIEW::Message_map"·alt=""/>86 ··<img·src="../../d6/d6e/a07818.png"·usemap="#BALL::VIEW::Message_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Message_map"·name="BALL::VIEW::Message_map">87 ··<map·id="BALL::VIEW::Message_map"·name="BALL::VIEW::Message_map">
88 <area·href="../../d5/d6c/a07826.html"·alt="BALL::VIEW::CompositeMessage"·shape="rect"·coords="293,56,576,80"/>88 <area·href="../../d5/d6c/a07826.html"·alt="BALL::VIEW::CompositeMessage"·shape="rect"·coords="293,56,576,80"/>
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127 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>128 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
129 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memSeparator"·colspan="2">&#160;</td></tr>129 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
130 </table>130 </table>
131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>131 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
132 <div·class="textblock"><p>General·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·class.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·is·the·base·class·of·all·message·classes·and·provides·a·base·interface.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·classes·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·for·the·purpose·of·communication·between·several·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·classes.·Each·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·handels·in·its·<b>onNotify()</b>·method·messages·that·are·relevant·for·that·class·by·means·of·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>.·This·class·can·be·given·a·sender·object·that·is·a·pointer·to·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·that·has·initially·sent·the·message.·This·methods·concerning·the·sender·object·are·internally·used·and·no·user·interaction·is·necessary.·A·message·can·be·deletable·or·not.·If·a·message·is·deletable·it·will·be·deleted·after·all·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·has·been·informed·of·this·message.·Therefore·a·deletable·message·must·be·created·with·the·<b>·new</b>·command.·All·messages·should·be·created·with·the·<b>·new</b>·command,·since·they·will·be·automatically·deleted·after·all·ConnectionObjects·have·been·notified.·See·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·for·further·information·concerning·message·handling.·and·message·posting.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>132 <div·class="textblock"><p>General·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·class.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·is·the·base·class·of·all·message·classes·and·provides·a·base·interface.·<a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·classes·will·be·sent·through·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·tree·for·the·purpose·of·communication·between·several·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·classes.·Each·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·handels·in·its·<b>onNotify()</b>·method·messages·that·are·relevant·for·that·class·by·means·of·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>.·This·class·can·be·given·a·sender·object·that·is·a·pointer·to·the·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·that·has·initially·sent·the·message.·This·methods·concerning·the·sender·object·are·internally·used·and·no·user·interaction·is·necessary.·A·message·can·be·deletable·or·not.·If·a·message·is·deletable·it·will·be·deleted·after·all·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·objects·has·been·informed·of·this·message.·Therefore·a·deletable·message·must·be·created·with·the·<b>·new</b>·command.·All·messages·should·be·created·with·the·<b>·new</b>·command,·since·they·will·be·automatically·deleted·after·all·ConnectionObjects·have·been·notified.·See·<a·class="el"·href="../../d3/d43/a07798.html">ConnectionObject</a>·for·further·information·concerning·message·handling.·and·message·posting.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
135 <a·id="aea650b095897024b3d13059fde10428a"·name="aea650b095897024b3d13059fde10428a"></a>135 <a·id="aea650b095897024b3d13059fde10428a"·name="aea650b095897024b3d13059fde10428a"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#aea650b095897024b3d13059fde10428a">&#9670;&#160;</a></span>Message()·<span·class="overload">[1/2]</span></h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#aea650b095897024b3d13059fde10428a">&#9670;&#160;</a></span>Message()·<span·class="overload">[1/2]</span></h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 ······<table·class="memname">139 ······<table·class="memname">
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220 ··<td·class="mlabels-right">220 ··<td·class="mlabels-right">
221 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>221 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
222 ··</tr>222 ··</tr>
223 </table>223 </table>
224 </div><div·class="memdoc">224 </div><div·class="memdoc">
225 <p>Access·the·optional·data·stored·in·this·message.·The·data·is·stored·as·a·boost::any·to·allow·any·kind·of·data·sets.·</p><dl·class="section·return"><dt>Returns</dt><dd>a·mutable·reference·to·the·data·</dd></dl>225 <p>Access·the·optional·data·stored·in·this·message.·The·data·is·stored·as·a·boost::any·to·allow·any·kind·of·data·sets.·</p><dl·class="section·return"><dt>Returns</dt><dd>a·mutable·reference·to·the·data·</dd></dl>
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
227 </div>227 </div>
228 </div>228 </div>
229 <a·id="a1152b409b964af4299f1d69037006412"·name="a1152b409b964af4299f1d69037006412"></a>229 <a·id="a1152b409b964af4299f1d69037006412"·name="a1152b409b964af4299f1d69037006412"></a>
230 <h2·class="memtitle"><span·class="permalink"><a·href="#a1152b409b964af4299f1d69037006412">&#9670;&#160;</a></span>getSender()</h2>230 <h2·class="memtitle"><span·class="permalink"><a·href="#a1152b409b964af4299f1d69037006412">&#9670;&#160;</a></span>getSender()</h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/dec/a04595.html">List·of·all·members</a>··</div>78 <a·href="../../dd/dec/a04595.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Chain·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Chain·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Chain·&gt;:</div>84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Chain·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d71/a04598.png"·usemap="#BALL::KernelPredicate_3C_20Chain_20_3E_map"·alt=""/>87 ··<img·src="../../d6/d71/a04598.png"·usemap="#BALL::KernelPredicate_3C_20Chain_20_3E_map"·alt=""/>
88 ··<map·id="BALL::KernelPredicate_3C_20Chain_20_3E_map"·name="BALL::KernelPredicate_3C_20Chain_20_3E_map">88 ··<map·id="BALL::KernelPredicate_3C_20Chain_20_3E_map"·name="BALL::KernelPredicate_3C_20Chain_20_3E_map">
89 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>89 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>
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112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>
113 <tr·class="separator:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>
115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="aa9c271e4c68fded745af27ebe4775827"·name="aa9c271e4c68fded745af27ebe4775827"></a>121 <a·id="aa9c271e4c68fded745af27ebe4775827"·name="aa9c271e4c68fded745af27ebe4775827"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9c271e4c68fded745af27ebe4775827">&#9670;&#160;</a></span>~KernelPredicate()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9c271e4c68fded745af27ebe4775827">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 <table·class="mlabels">125 <table·class="mlabels">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
147 <a·id="ac41e4ee3becf4ea5c4010ab5e731a334"·name="ac41e4ee3becf4ea5c4010ab5e731a334"></a>147 <a·id="ac41e4ee3becf4ea5c4010ab5e731a334"·name="ac41e4ee3becf4ea5c4010ab5e731a334"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ac41e4ee3becf4ea5c4010ab5e731a334">&#9670;&#160;</a></span>operator()()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ac41e4ee3becf4ea5c4010ab5e731a334">&#9670;&#160;</a></span>operator()()</h2>
  
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168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
169 ··</tr>169 ··</tr>
170 </table>170 </table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
174 </div>174 </div>
175 </div>175 </div>
176 </div><!--·contents·-->176 </div><!--·contents·-->
177 <!--·start·footer·part·-->177 <!--·start·footer·part·-->
178 <hr·class="footer"/><address·class="footer"><small>178 <hr·class="footer"/><address·class="footer"><small>
179 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8179 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/d54/a07391.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d54/a07391.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·boost::mutex·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·boost::mutex·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TMutex&lt;·boost::mutex·&gt;:</div>84 Inheritance·diagram·for·BALL::TMutex&lt;·boost::mutex·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d75/a07394.png"·alt=""/>87 ··<img·src="../../d6/d75/a07394.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
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95 <tr·class="memitem:a9eb22267cf352079bcbb79ac2a36ff1b"·id="r_a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a9eb22267cf352079bcbb79ac2a36ff1b">lock</a>·()</td></tr>95 <tr·class="memitem:a9eb22267cf352079bcbb79ac2a36ff1b"·id="r_a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a9eb22267cf352079bcbb79ac2a36ff1b">lock</a>·()</td></tr>
96 <tr·class="separator:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a9eb22267cf352079bcbb79ac2a36ff1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a2fa509640dfd78b5ab9ba05f4d58b198"·id="r_a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a2fa509640dfd78b5ab9ba05f4d58b198">tryLock</a>·()</td></tr>97 <tr·class="memitem:a2fa509640dfd78b5ab9ba05f4d58b198"·id="r_a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d75/a07394.html#a2fa509640dfd78b5ab9ba05f4d58b198">tryLock</a>·()</td></tr>
98 <tr·class="separator:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a2fa509640dfd78b5ab9ba05f4d58b198"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a607bf966bec047137dce3483dd46901a"·name="a607bf966bec047137dce3483dd46901a"></a>104 <a·id="a607bf966bec047137dce3483dd46901a"·name="a607bf966bec047137dce3483dd46901a"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a607bf966bec047137dce3483dd46901a">&#9670;&#160;</a></span>TMutex()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a607bf966bec047137dce3483dd46901a">&#9670;&#160;</a></span>TMutex()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <table·class="mlabels">108 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Function·Documentation</h2>129 <h2·class="groupheader">Member·Function·Documentation</h2>
130 <a·id="a9eb22267cf352079bcbb79ac2a36ff1b"·name="a9eb22267cf352079bcbb79ac2a36ff1b"></a>130 <a·id="a9eb22267cf352079bcbb79ac2a36ff1b"·name="a9eb22267cf352079bcbb79ac2a36ff1b"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a9eb22267cf352079bcbb79ac2a36ff1b">&#9670;&#160;</a></span>lock()</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a9eb22267cf352079bcbb79ac2a36ff1b">&#9670;&#160;</a></span>lock()</h2>
  
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148 ··</td>148 ··</td>
149 ··<td·class="mlabels-right">149 ··<td·class="mlabels-right">
150 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>150 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
151 ··</tr>151 ··</tr>
152 </table>152 </table>
153 </div><div·class="memdoc">153 </div><div·class="memdoc">
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
155 </div>155 </div>
156 </div>156 </div>
157 <a·id="a2fa509640dfd78b5ab9ba05f4d58b198"·name="a2fa509640dfd78b5ab9ba05f4d58b198"></a>157 <a·id="a2fa509640dfd78b5ab9ba05f4d58b198"·name="a2fa509640dfd78b5ab9ba05f4d58b198"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fa509640dfd78b5ab9ba05f4d58b198">&#9670;&#160;</a></span>tryLock()</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fa509640dfd78b5ab9ba05f4d58b198">&#9670;&#160;</a></span>tryLock()</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
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175 ··</td>175 ··</td>
176 ··<td·class="mlabels-right">176 ··<td·class="mlabels-right">
177 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>177 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
178 ··</tr>178 ··</tr>
179 </table>179 </table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00165">165</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 </div><!--·contents·-->184 </div><!--·contents·-->
185 <!--·start·footer·part·-->185 <!--·start·footer·part·-->
186 <hr·class="footer"/><address·class="footer"><small>186 <hr·class="footer"/><address·class="footer"><small>
187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d55/a04603.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d55/a04603.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ProteinIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ProteinIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/KERNEL/proteinIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d33/a00536_source.html">BALL/KERNEL/proteinIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ProteinIteratorTraits:</div>84 Inheritance·diagram·for·BALL::ProteinIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d76/a04606.png"·usemap="#BALL::ProteinIteratorTraits_map"·alt=""/>87 ··<img·src="../../d6/d76/a04606.png"·usemap="#BALL::ProteinIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::ProteinIteratorTraits_map"·name="BALL::ProteinIteratorTraits_map">88 ··<map·id="BALL::ProteinIteratorTraits_map"·name="BALL::ProteinIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p><a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·</p>196 <div·class="textblock"><p><a·class="el"·href="../../d6/d76/a04606.html">ProteinIteratorTraits</a>·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">proteinIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="a44ad6589bc3a32a9d459cbc8391f1bbb"·name="a44ad6589bc3a32a9d459cbc8391f1bbb"></a>199 <a·id="a44ad6589bc3a32a9d459cbc8391f1bbb"·name="a44ad6589bc3a32a9d459cbc8391f1bbb"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#a44ad6589bc3a32a9d459cbc8391f1bbb">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a44ad6589bc3a32a9d459cbc8391f1bbb">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">proteinIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="a0eda649fe29779bf88042faf39df7b17"·name="a0eda649fe29779bf88042faf39df7b17"></a>225 <a·id="a0eda649fe29779bf88042faf39df7b17"·name="a0eda649fe29779bf88042faf39df7b17"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eda649fe29779bf88042faf39df7b17">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a0eda649fe29779bf88042faf39df7b17">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">proteinIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="a0b6a2c76b77bda9ee42632db69580545"·name="a0b6a2c76b77bda9ee42632db69580545"></a>253 <a·id="a0b6a2c76b77bda9ee42632db69580545"·name="a0b6a2c76b77bda9ee42632db69580545"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b6a2c76b77bda9ee42632db69580545">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b6a2c76b77bda9ee42632db69580545">&#9670;&#160;</a></span>ProteinIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
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282 ··</td>282 ··</td>
283 ··<td·class="mlabels-right">283 ··<td·class="mlabels-right">
284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
285 ··</tr>285 ··</tr>
286 </table>286 </table>
287 </div><div·class="memdoc">287 </div><div·class="memdoc">
  
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">proteinIterator.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <h2·class="groupheader">Member·Function·Documentation</h2>291 <h2·class="groupheader">Member·Function·Documentation</h2>
292 <a·id="ad7db2d3a5a93f85abe76d0614eef20eb"·name="ad7db2d3a5a93f85abe76d0614eef20eb"></a>292 <a·id="ad7db2d3a5a93f85abe76d0614eef20eb"·name="ad7db2d3a5a93f85abe76d0614eef20eb"></a>
293 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7db2d3a5a93f85abe76d0614eef20eb">&#9670;&#160;</a></span>operator=()</h2>293 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7db2d3a5a93f85abe76d0614eef20eb">&#9670;&#160;</a></span>operator=()</h2>
  
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
  
317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">proteinIterator.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d33/a00536_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d4/d33/a00536_source.html">proteinIterator.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
320 <a·id="abf42f35ad5aed3ec14369516642b61a1"·name="abf42f35ad5aed3ec14369516642b61a1"></a>320 <a·id="abf42f35ad5aed3ec14369516642b61a1"·name="abf42f35ad5aed3ec14369516642b61a1"></a>
321 <h2·class="memtitle"><span·class="permalink"><a·href="#abf42f35ad5aed3ec14369516642b61a1">&#9670;&#160;</a></span>resetPredicate()</h2>321 <h2·class="memtitle"><span·class="permalink"><a·href="#abf42f35ad5aed3ec14369516642b61a1">&#9670;&#160;</a></span>resetPredicate()</h2>
  
322 <div·class="memitem">322 <div·class="memitem">
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338 ··</td>338 ··</td>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d95/a00299_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/VIEW/DIALOGS/editSettings.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>
88 <code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/VIEW/KERNEL/editOperation.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
89 <code>#include·&lt;<a·class="el"·href="../../d5/de9/a00176_source.html">BALL/VIEW/KERNEL/MODES/interactionModeManager.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
91 <code>#include·&lt;QtCore/QTimer&gt;</code><br·/> 
92 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/> 
93 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
94 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/> 
95 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
96 <code>#include·&lt;QtGui/QPicture&gt;</code><br·/> 
97 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
98 </div>84 </div>
99 <p><a·href="../../d6/d80/a00371_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/d80/a00371_source.html">Go·to·the·source·code·of·this·file.</a></p>
100 <table·class="memberdecls">86 <table·class="memberdecls">
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78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">peak.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">colorButton.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/MATHS/vector2.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;iostream&gt;</code><br·/>83 <code>#include·&lt;QtGui/QColor&gt;</code><br·/>
86 </div>84 </div>
87 <p><a·href="../../d6/d80/a01076_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/d80/a01076_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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95 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
100 Typedefs</h2></td></tr> 
101 <tr><td·colspan="2"><div·class="groupHeader">Convenience·typedefs</div></td></tr> 
102 <tr><td·colspan="2"><div·class="groupText"><p>&lt;&gt;·</p> 
103 </div></td></tr> 
104 <tr·class="memitem:ab46247e29a43a1a1d46ba14179939626"·id="r_ab46247e29a43a1a1d46ba14179939626"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d55/a05514.html">Peak</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab46247e29a43a1a1d46ba14179939626">BALL::Peak1D</a></td></tr> 
105 <tr·class="separator:ab46247e29a43a1a1d46ba14179939626"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:ae957c679a09ef3708d3d034f07322616"·id="r_ae957c679a09ef3708d3d034f07322616"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d55/a05514.html">Peak</a>&lt;·<a·class="el"·href="../../de/d48/a02167.html#ga79bc772aca78579b6294de9f76e7cdc0">Vector2</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae957c679a09ef3708d3d034f07322616">BALL::Peak2D</a></td></tr> 
107 <tr·class="separator:ae957c679a09ef3708d3d034f07322616"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 <tr·class="memitem:a1a192b65d4ac6b75a1be5b88e647d1c2"·id="r_a1a192b65d4ac6b75a1be5b88e647d1c2"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d55/a05514.html">Peak</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a1a192b65d4ac6b75a1be5b88e647d1c2">BALL::Peak3D</a></td></tr> 
109 <tr·class="separator:a1a192b65d4ac6b75a1be5b88e647d1c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
110 </table><table·class="memberdecls"> 
111 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
112 Functions</h2></td></tr> 
113 <tr·class="memitem:ac0c7f7d27bf7156191e440ea4e9f3ce8"·id="r_ac0c7f7d27bf7156191e440ea4e9f3ce8"><td·class="memTemplParams"·colspan="2">template&lt;typename·PositionType·&gt;·</td></tr> 
114 <tr·class="memitem:ac0c7f7d27bf7156191e440ea4e9f3ce8"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac0c7f7d27bf7156191e440ea4e9f3ce8">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../d7/d55/a05514.html">Peak</a>&lt;·PositionType·&gt;·&amp;peak)</td></tr> 
115 <tr·class="separator:ac0c7f7d27bf7156191e440ea4e9f3ce8"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
116 </table>98 </table>
117 </div><!--·contents·-->99 </div><!--·contents·-->
118 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
119 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
120 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
121 </small></address>103 </small></address>
122 </body>104 </body>
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d7/d3e/a08091.html">List·of·all·members</a>··</div>80 <a·href="../../d7/d3e/a08091.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueNameColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueNameColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::ResidueNameColorProcessor:</div>86 Inheritance·diagram·for·BALL::VIEW::ResidueNameColorProcessor:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d6/d80/a08094.png"·usemap="#BALL::VIEW::ResidueNameColorProcessor_map"·alt=""/>89 ··<img·src="../../d6/d80/a08094.png"·usemap="#BALL::VIEW::ResidueNameColorProcessor_map"·alt=""/>
90 ··<map·id="BALL::VIEW::ResidueNameColorProcessor_map"·name="BALL::VIEW::ResidueNameColorProcessor_map">90 ··<map·id="BALL::VIEW::ResidueNameColorProcessor_map"·name="BALL::VIEW::ResidueNameColorProcessor_map">
91 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>91 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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230 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>230 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
231 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>231 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
232 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>232 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
233 </table>233 </table>
234 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>234 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
235 <div·class="textblock"><p><a·class="el"·href="../../d6/d80/a08094.html">ResidueNameColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·residue·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(A·residue·color·of·a·given·atom·is·the·color·of·the·residue·the·atom·is·contained·in).·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>·is·initialized·that·contains·all·colors·corresponding·to·the·names·of·the·residues.·</p>235 <div·class="textblock"><p><a·class="el"·href="../../d6/d80/a08094.html">ResidueNameColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·It·is·used·for·calculating·residue·colors·of·a·given·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·object·(A·residue·color·of·a·given·atom·is·the·color·of·the·residue·the·atom·is·contained·in).·In·the·constructor·a·<a·class="el"·href="../../d2/d57/a07458.html">ColorMap</a>·is·initialized·that·contains·all·colors·corresponding·to·the·names·of·the·residues.·</p>
  
236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>236 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00222">222</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
237 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>237 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
238 <a·id="abb880fda481b297ce6f30452a2586153"·name="abb880fda481b297ce6f30452a2586153"></a>238 <a·id="abb880fda481b297ce6f30452a2586153"·name="abb880fda481b297ce6f30452a2586153"></a>
239 <h2·class="memtitle"><span·class="permalink"><a·href="#abb880fda481b297ce6f30452a2586153">&#9670;&#160;</a></span>ResidueNameColorProcessor()</h2>239 <h2·class="memtitle"><span·class="permalink"><a·href="#abb880fda481b297ce6f30452a2586153">&#9670;&#160;</a></span>ResidueNameColorProcessor()</h2>
  
240 <div·class="memitem">240 <div·class="memitem">
241 <div·class="memproto">241 <div·class="memproto">
242 ······<table·class="memname">242 ······<table·class="memname">
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341 ··</td>341 ··</td>
342 ··<td·class="mlabels-right">342 ··<td·class="mlabels-right">
343 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>343 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
344 ··</tr>344 ··</tr>
345 </table>345 </table>
346 </div><div·class="memdoc">346 </div><div·class="memdoc">
  
347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>347 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
348 </div>348 </div>
349 </div>349 </div>
350 <a·id="a1dd36a1a079b6dfec3f7935cff5126e1"·name="a1dd36a1a079b6dfec3f7935cff5126e1"></a>350 <a·id="a1dd36a1a079b6dfec3f7935cff5126e1"·name="a1dd36a1a079b6dfec3f7935cff5126e1"></a>
351 <h2·class="memtitle"><span·class="permalink"><a·href="#a1dd36a1a079b6dfec3f7935cff5126e1">&#9670;&#160;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>351 <h2·class="memtitle"><span·class="permalink"><a·href="#a1dd36a1a079b6dfec3f7935cff5126e1">&#9670;&#160;</a></span>getColorMap()·<span·class="overload">[2/2]</span></h2>
  
352 <div·class="memitem">352 <div·class="memitem">
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368 ··</td>368 ··</td>
369 ··<td·class="mlabels-right">369 ··<td·class="mlabels-right">
370 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>370 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
371 ··</tr>371 ··</tr>
372 </table>372 </table>
373 </div><div·class="memdoc">373 </div><div·class="memdoc">
  
374 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>374 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00245">245</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
375 </div>375 </div>
376 </div>376 </div>
377 <a·id="a0f7e1906bd729119bb8a3009b5c1ab17"·name="a0f7e1906bd729119bb8a3009b5c1ab17"></a>377 <a·id="a0f7e1906bd729119bb8a3009b5c1ab17"·name="a0f7e1906bd729119bb8a3009b5c1ab17"></a>
378 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f7e1906bd729119bb8a3009b5c1ab17">&#9670;&#160;</a></span>setTransparency()</h2>378 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f7e1906bd729119bb8a3009b5c1ab17">&#9670;&#160;</a></span>setTransparency()</h2>
  
379 <div·class="memitem">379 <div·class="memitem">
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422 ··</td>422 ··</td>
423 ··<td·class="mlabels-right">423 ··<td·class="mlabels-right">
424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
425 ··</tr>425 ··</tr>
426 </table>426 </table>
427 </div><div·class="memdoc">427 </div><div·class="memdoc">
  
428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>428 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
429 </div>429 </div>
430 </div>430 </div>
431 <a·id="aa5323770b278517ecbcaaa568c60142c"·name="aa5323770b278517ecbcaaa568c60142c"></a>431 <a·id="aa5323770b278517ecbcaaa568c60142c"·name="aa5323770b278517ecbcaaa568c60142c"></a>
432 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5323770b278517ecbcaaa568c60142c">&#9670;&#160;</a></span>dummy_residue</h2>432 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5323770b278517ecbcaaa568c60142c">&#9670;&#160;</a></span>dummy_residue</h2>
  
433 <div·class="memitem">433 <div·class="memitem">
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446 ··</td>446 ··</td>
447 ··<td·class="mlabels-right">447 ··<td·class="mlabels-right">
448 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>448 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
449 ··</tr>449 ··</tr>
450 </table>450 </table>
451 </div><div·class="memdoc">451 </div><div·class="memdoc">
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00249">249</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
  
453 </div>453 </div>
454 </div>454 </div>
455 </div><!--·contents·-->455 </div><!--·contents·-->
456 <!--·start·footer·part·-->456 <!--·start·footer·part·-->
457 <hr·class="footer"/><address·class="footer"><small>457 <hr·class="footer"/><address·class="footer"><small>
458 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8458 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·bufferedRenderer.h·File·Reference</title>8 <title>BALL:·sphere3.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">bufferedRenderer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">sphere3.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;iostream&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d61/a00302_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d6/d82/a00293_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/d82/a00293_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d0b/a08254.html">BALL::VIEW::BufferedRenderer</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de5/a04902.html">BALL::TSphere3&lt;·T·&gt;</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
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 101 <tr·class="memitem:ga658cca7bdcf3610107c050091491d04b"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga658cca7bdcf3610107c050091491d04b">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../d8/de5/a04902.html">TSphere3</a>&lt;·T·&gt;·&amp;sphere)</td></tr>
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 104 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga73c09b993f6a16c37c9031b8aecb9175">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d8/de5/a04902.html">TSphere3</a>&lt;·T·&gt;·&amp;sphere)</td></tr>
 105 <tr·class="separator:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>106 </table>
98 </div><!--·contents·-->107 </div><!--·contents·-->
99 <!--·start·footer·part·-->108 <!--·start·footer·part·-->
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">connectivityDescriptors.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">KCFFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/def/a01016_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d6/d82/a00920_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/d82/a00920_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dc8/a05658.html">BALL::ZagrebIndex</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dfb/a03946.html">BALL::KCFFile</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dde/a05662.html">BALL::BalabanIndexJ</a></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
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93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·amberStretch.h·File·Reference</title>8 <title>BALL:·dockingAlgorithm.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">amberStretch.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">dockingAlgorithm.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/dd2/a01604_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/>
84 </div>87 </div>
85 <p><a·href="../../d6/d82/a01565_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d6/d82/a01565_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">89 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>91 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d41/a04946.html">BALL::AmberStretch</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
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105 <h2·class="memtitle"><span·class="permalink"><a·href="#abed13effad750c4ea7ace62777cbd2f1">&#9670;&#160;</a></span>AMBER_STRETCH_ENABLED</h2> 
  
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112 ······</table> 
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114 <p>flag·to·enable·Stretches·</p> 
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a01565_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/d82/a01565_source.html">amberStretch.h</a>.</p> 
  
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78 ··<div·class="headertitle"><div·class="title">forceFieldComponent.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">johnsonBoveyShiftProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
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86 <p><a·href="../../d6/d82/a01607_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d6/d82/a01607_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">90 <table·class="memberdecls">
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78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">charmmImproperTorsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">evolutionaryDocking.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
87 </div>85 </div>
88 <p><a·href="../../d6/d83/a01544_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d6/d83/a01544_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">87 <table·class="memberdecls">
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99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
101 Macros</h2></td></tr> 
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103 <tr·class="memdesc:a18d420c0121c8e05702d3575d239061b"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·improper·torsions··<br·/></td></tr> 
104 <tr·class="separator:a18d420c0121c8e05702d3575d239061b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>101 </table>
106 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
107 <a·id="a18d420c0121c8e05702d3575d239061b"·name="a18d420c0121c8e05702d3575d239061b"></a> 
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a18d420c0121c8e05702d3575d239061b">&#9670;&#160;</a></span>CHARMM_IMPROPER_TORSIONS_ENABLED</h2> 
  
109 <div·class="memitem"> 
110 <div·class="memproto"> 
111 ······<table·class="memname"> 
112 ········<tr> 
113 ··········<td·class="memname">#define·CHARMM_IMPROPER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·IT&quot;</td> 
114 ········</tr> 
115 ······</table> 
116 </div><div·class="memdoc"> 
  
117 <p>flag·to·enable·improper·torsions·</p> 
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">charmmImproperTorsion.h</a>.</p> 
  
119 </div> 
120 </div> 
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123 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/dfa/a07511.html">List·of·all·members</a>··</div>77 <a·href="../../d6/dfa/a07511.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Vertex2:</div>83 Inheritance·diagram·for·BALL::VIEW::Vertex2:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d83/a07514.png"·usemap="#BALL::VIEW::Vertex2_map"·alt=""/>86 ··<img·src="../../d6/d83/a07514.png"·usemap="#BALL::VIEW::Vertex2_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Vertex2_map"·name="BALL::VIEW::Vertex2_map">87 ··<map·id="BALL::VIEW::Vertex2_map"·name="BALL::VIEW::Vertex2_map">
88 <area·href="../../d3/d4c/a08174.html"·alt="BALL::VIEW::Line"·shape="rect"·coords="0,56,182,80"/>88 <area·href="../../d3/d4c/a08174.html"·alt="BALL::VIEW::Line"·shape="rect"·coords="0,56,182,80"/>
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174 <tr·class="separator:ad98802e658eed2c138ac21db9574c318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>174 <tr·class="separator:ad98802e658eed2c138ac21db9574c318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
175 <tr·class="memitem:ab8b17878311b121da64370a3d6f188bb"·id="r_ab8b17878311b121da64370a3d6f188bb"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d83/a07514.html#ab8b17878311b121da64370a3d6f188bb">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>175 <tr·class="memitem:ab8b17878311b121da64370a3d6f188bb"·id="r_ab8b17878311b121da64370a3d6f188bb"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d83/a07514.html#ab8b17878311b121da64370a3d6f188bb">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
176 <tr·class="separator:ab8b17878311b121da64370a3d6f188bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>176 <tr·class="separator:ab8b17878311b121da64370a3d6f188bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
177 </table>177 </table>
178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>178 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
179 <div·class="textblock"><p><a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·two·vertices.·It·provides·the·derived·class·with·methods·for·accessing·that·vertices.·Further·there·is·the·possibility·to·give·an·address·to·a·Vector3·as·vertice.·So·if·the·values·of·these·given·vectors·changes,·the·values·of·the·vectors·changes·as·well.·To·avoid·segmentation·faults·these·vector·addresses·must·be·valid·as·long·as·the·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>179 <div·class="textblock"><p><a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·two·vertices.·It·provides·the·derived·class·with·methods·for·accessing·that·vertices.·Further·there·is·the·possibility·to·give·an·address·to·a·Vector3·as·vertice.·So·if·the·values·of·these·given·vectors·changes,·the·values·of·the·vectors·changes·as·well.·To·avoid·segmentation·faults·these·vector·addresses·must·be·valid·as·long·as·the·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">vertex2.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d5c/a01358_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../de/d5c/a01358_source.html">vertex2.h</a>.</p>
181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="a492795bd02b5ff8c6a2829aed4920d04"·name="a492795bd02b5ff8c6a2829aed4920d04"></a>182 <a·id="a492795bd02b5ff8c6a2829aed4920d04"·name="a492795bd02b5ff8c6a2829aed4920d04"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a492795bd02b5ff8c6a2829aed4920d04">&#9670;&#160;</a></span>Vertex2()·<span·class="overload">[1/2]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a492795bd02b5ff8c6a2829aed4920d04">&#9670;&#160;</a></span>Vertex2()·<span·class="overload">[1/2]</span></h2>
  
184 <div·class="memitem">184 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/d55/a07443.html">List·of·all·members</a>··</div>77 <a·href="../../de/d55/a07443.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorExtension2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorExtension2·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::ColorExtension2:</div>83 Inheritance·diagram·for·BALL::VIEW::ColorExtension2:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d89/a07446.png"·usemap="#BALL::VIEW::ColorExtension2_map"·alt=""/>86 ··<img·src="../../d6/d89/a07446.png"·usemap="#BALL::VIEW::ColorExtension2_map"·alt=""/>
87 ··<map·id="BALL::VIEW::ColorExtension2_map"·name="BALL::VIEW::ColorExtension2_map">87 ··<map·id="BALL::VIEW::ColorExtension2_map"·name="BALL::VIEW::ColorExtension2_map">
88 <area·href="../../dd/da2/a08210.html"·alt="BALL::VIEW::TwoColoredLine"·shape="rect"·coords="0,56,182,80"/>88 <area·href="../../dd/da2/a08210.html"·alt="BALL::VIEW::TwoColoredLine"·shape="rect"·coords="0,56,182,80"/>
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124 <tr·class="separator:a483ff1cc1501ea74626edb9a00c497a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:a483ff1cc1501ea74626edb9a00c497a2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 </table>125 </table>
126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>126 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
127 <div·class="textblock"><p>Base·class·for·geometric·objects·that·need·two·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>127 <div·class="textblock"><p>Base·class·for·geometric·objects·that·need·two·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>
128 <dd>128 <dd>
129 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>129 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">colorExtensions.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a0c0526f561d1df5b03ad9b08e1957f22"·name="a0c0526f561d1df5b03ad9b08e1957f22"></a>132 <a·id="a0c0526f561d1df5b03ad9b08e1957f22"·name="a0c0526f561d1df5b03ad9b08e1957f22"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c0526f561d1df5b03ad9b08e1957f22">&#9670;&#160;</a></span>ColorExtension2()·<span·class="overload">[1/2]</span></h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c0526f561d1df5b03ad9b08e1957f22">&#9670;&#160;</a></span>ColorExtension2()·<span·class="overload">[1/2]</span></h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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8 <title>BALL:·nucleicAcid.h·File·Reference</title>8 <title>BALL:·enumerator.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">nucleicAcid.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">enumerator.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d72/a00803_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;vector&gt;</code><br·/>
 86 <code>#include·&lt;list&gt;</code><br·/>
 87 <code>#include·&lt;algorithm&gt;</code><br·/>
 88 <code>#include·&lt;BALL/CONCEPT/enumerator.iC&gt;</code><br·/>
84 </div>89 </div>
85 <p><a·href="../../d6/d8b/a00821_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d6/d8b/a00821_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">91 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>93 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df8/a04550.html">BALL::NucleicAcid</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html">BALL::EnumeratorIndex</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d77/a03270.html">BALL::EnumeratorIndex::IncompatibleIndex</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/deb/a03274.html">BALL::Enumerator&lt;·Container,·SiteIterator,·Variant·&gt;</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d7f/a03278.html">BALL::Enumerator&lt;·Container,·SiteIterator,·Variant·&gt;::IteratorTraits_</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">102 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>104 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
99 <tr·class="memitem:a5a1d37bfd74850a659f3eedb6a62a01a"·id="r_a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8b/a00821.html#a5a1d37bfd74850a659f3eedb6a62a01a">BALL_NUCLEICACID_DEFAULT_ID</a>&#160;&#160;&#160;&quot;&quot;</td></tr> 
100 <tr·class="separator:a5a1d37bfd74850a659f3eedb6a62a01a"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>107 </table>
102 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
103 <a·id="a5a1d37bfd74850a659f3eedb6a62a01a"·name="a5a1d37bfd74850a659f3eedb6a62a01a"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a5a1d37bfd74850a659f3eedb6a62a01a">&#9670;&#160;</a></span>BALL_NUCLEICACID_DEFAULT_ID</h2> 
  
105 <div·class="memitem"> 
106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">#define·BALL_NUCLEICACID_DEFAULT_ID&#160;&#160;&#160;&quot;&quot;</td> 
110 ········</tr> 
111 ······</table> 
112 </div><div·class="memdoc"> 
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">nucleicAcid.h</a>.</p> 
  
114 </div> 
115 </div> 
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">aromaticityProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">connectionObject.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d1c/a00605_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>82 <code>#include·&lt;BALL/VIEW/KERNEL/connectionObject.iC&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d6/d8d/a01007_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/d8d/a01007_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>87 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d82/a05598.html">BALL::AromaticityProcessor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d43/a07798.html">BALL::VIEW::ConnectionObject</a></td></tr>
89 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··<a·href="../../dd/d82/a05598.html#details">More...</a><br·/></td></tr> 
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd6/a05602.html">BALL::AromaticityProcessor::Option</a></td></tr> 
92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··<a·href="../../dd/dd6/a05602.html#details">More...</a><br·/></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc0/a05606.html">BALL::AromaticityProcessor::Default</a></td></tr> 
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d9/dc0/a05606.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
99 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>97 </table>
103 </div><!--·contents·-->98 </div><!--·contents·-->
104 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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108 </body>103 </body>
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../dc/dc1/a03263.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dc1/a03263.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1c/a01397_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::EnumeratorIndex:</div>84 Inheritance·diagram·for·BALL::EnumeratorIndex:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d8d/a03266.png"·alt=""/>87 ··<img·src="../../d6/d8d/a03266.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
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142 <tr·class="separator:afb03b9fd916fbe9a9a5b624ab59191b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:afb03b9fd916fbe9a9a5b624ab59191b6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 <tr·class="memitem:a1900ba6876bf573a0dd3ce43120b2696"·id="r_a1900ba6876bf573a0dd3ce43120b2696"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html#a1900ba6876bf573a0dd3ce43120b2696">operator&lt;=</a>·(const·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·&amp;rhs)·const</td></tr>143 <tr·class="memitem:a1900ba6876bf573a0dd3ce43120b2696"·id="r_a1900ba6876bf573a0dd3ce43120b2696"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d8d/a03266.html#a1900ba6876bf573a0dd3ce43120b2696">operator&lt;=</a>·(const·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·&amp;rhs)·const</td></tr>
144 <tr·class="separator:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memSeparator"·colspan="2">&#160;</td></tr>144 <tr·class="separator:a1900ba6876bf573a0dd3ce43120b2696"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
145 </table>145 </table>
146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
147 <div·class="textblock"><p><a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·The·<a·class="el"·href="../../da/deb/a03274.html">Enumerator</a>·class·provides·a·means·for·enumerating·all·possible·combinations·of·objects.·The·counting·is·hereby·done·by·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·This·class·is·derived·from·vector·and·additionally·contains·two·vectors·of·the·same·size·which·hold·the·modulus·and·the·base·for·each·digit.·The·values·of·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·vector·itself·are·interpreted·as·an·inhomogenous·number·consisting·of·digits·that·have·different·bases.·The·bases·are·the·numbers·of·possibilities·for·each·variant·in·the·list.·Most·significant·component·is·operator·[]·(0),·so·incrementing·starts·at·operator·[]·(size()·-·1)·</p><dl·class="section·user"><dt></dt><dd></dd></dl>147 <div·class="textblock"><p><a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·The·<a·class="el"·href="../../da/deb/a03274.html">Enumerator</a>·class·provides·a·means·for·enumerating·all·possible·combinations·of·objects.·The·counting·is·hereby·done·by·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·class.·This·class·is·derived·from·vector·and·additionally·contains·two·vectors·of·the·same·size·which·hold·the·modulus·and·the·base·for·each·digit.·The·values·of·the·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·vector·itself·are·interpreted·as·an·inhomogenous·number·consisting·of·digits·that·have·different·bases.·The·bases·are·the·numbers·of·possibilities·for·each·variant·in·the·list.·Most·significant·component·is·operator·[]·(0),·so·incrementing·starts·at·operator·[]·(size()·-·1)·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1c/a01397_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d1c/a01397_source.html">enumerator.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="a6c25610ea04e155e078bb9cbc20f4a2e"·name="a6c25610ea04e155e078bb9cbc20f4a2e"></a>150 <a·id="a6c25610ea04e155e078bb9cbc20f4a2e"·name="a6c25610ea04e155e078bb9cbc20f4a2e"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c25610ea04e155e078bb9cbc20f4a2e">&#9670;&#160;</a></span>EnumeratorIndex()·<span·class="overload">[1/2]</span></h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c25610ea04e155e078bb9cbc20f4a2e">&#9670;&#160;</a></span>EnumeratorIndex()·<span·class="overload">[1/2]</span></h2>
  
152 <div·class="memitem">152 <div·class="memitem">
153 <div·class="memproto">153 <div·class="memproto">
154 ······<table·class="memname">154 ······<table·class="memname">
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186 <p>Detailed·Constructor·</p><dl·class="params"><dt>Parameters</dt><dd>186 <p>Detailed·Constructor·</p><dl·class="params"><dt>Parameters</dt><dd>
187 ··<table·class="params">187 ··<table·class="params">
188 ····<tr><td·class="paramname">variant_list</td><td>the·list·of·variants·to·be·applied·</td></tr>188 ····<tr><td·class="paramname">variant_list</td><td>the·list·of·variants·to·be·applied·</td></tr>
189 ··</table>189 ··</table>
190 ··</dd>190 ··</dd>
191 </dl>191 </dl>
  
192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1c/a01397_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../d7/d1c/a01397_source.html">enumerator.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
  
193 </div>193 </div>
194 </div>194 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
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85 <p><a·href="../../d6/d8e/a01979_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/d8e/a01979_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">hydrogenBondSlick.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">baseFunction.h·File·Reference</div></div>
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80 <div·class="contents">80 <div·class="contents">
  
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
84 </div> 
85 <p><a·href="../../d6/d90/a01964_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d6/d90/a01964_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">BALL::MoleculeObjectCreator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::MoleculeObjectCreator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
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84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/d90/a03298.png"·usemap="#BALL::MoleculeObjectCreator_map"·alt=""/>86 ··<img·src="../../d6/d90/a03298.png"·usemap="#BALL::MoleculeObjectCreator_map"·alt=""/>
87 ··<map·id="BALL::MoleculeObjectCreator_map"·name="BALL::MoleculeObjectCreator_map">87 ··<map·id="BALL::MoleculeObjectCreator_map"·name="BALL::MoleculeObjectCreator_map">
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112 <tr·class="separator:a1f2e6b0b7876763e2ed1c00ae06c8c98·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a1f2e6b0b7876763e2ed1c00ae06c8c98·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"·id="r_a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>113 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"·id="r_a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>
114 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664·inherit·pub_methods_a03306"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p><a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·class.·The·class·<a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·is·a·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·that·represent·molecular·structures·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·Objects·that·do·not·represent·molecular·structures·will·not·be·converted.·All·necessary·initialization·and·registration·of·molecular·structure·patterns·will·be·done·in·the·method·initPersistenceManager.·The·conversion·will·be·executed·in·the·method·convertObject.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>117 <div·class="textblock"><p><a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·class.·The·class·<a·class="el"·href="../../d6/d90/a03298.html">MoleculeObjectCreator</a>·is·a·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·that·represent·molecular·structures·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·Objects·that·do·not·represent·molecular·structures·will·not·be·converted.·All·necessary·initialization·and·registration·of·molecular·structure·patterns·will·be·done·in·the·method·initPersistenceManager.·The·conversion·will·be·executed·in·the·method·convertObject.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/de2/a01442_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/de2/a01442_source.html">moleculeObjectCreator.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/db7/a00812_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/db7/a00812_source.html">moleculeObjectCreator.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="acc4d37331307406a46b22c84e1b834be"·name="acc4d37331307406a46b22c84e1b834be"></a>120 <a·id="acc4d37331307406a46b22c84e1b834be"·name="acc4d37331307406a46b22c84e1b834be"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#acc4d37331307406a46b22c84e1b834be">&#9670;&#160;</a></span>MoleculeObjectCreator()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#acc4d37331307406a46b22c84e1b834be">&#9670;&#160;</a></span>MoleculeObjectCreator()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
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8 <title>BALL:·slickEnergy.h·File·Reference</title>8 <title>BALL:·gridedPLP.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">slickEnergy.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">gridedPLP.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d3e/a00116_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../d6/d94/a02033_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/d94/a02033_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>88 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a06438.html">BALL::SLICKEnergy</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a06398.html">BALL::GridedPLP</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d41/a06442.html">BALL::SLICKEnergy::Option</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de6/a06446.html">BALL::SLICKEnergy::Default</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
99 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>96 </table>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d6/d12/a03891.html">List·of·all·members</a>··</div>79 <a·href="../../d6/d12/a03891.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::block·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::block·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:aecf73f30bb0982093a13289f796b808e"·id="r_aecf73f30bb0982093a13289f796b808e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#aecf73f30bb0982093a13289f796b808e">operator&gt;&gt;</a>·(std::ostream·&amp;os)·const</td></tr>87 <tr·class="memitem:aecf73f30bb0982093a13289f796b808e"·id="r_aecf73f30bb0982093a13289f796b808e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#aecf73f30bb0982093a13289f796b808e">operator&gt;&gt;</a>·(std::ostream·&amp;os)·const</td></tr>
88 <tr·class="separator:aecf73f30bb0982093a13289f796b808e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:aecf73f30bb0982093a13289f796b808e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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94 <tr·class="separator:a80bceb0aacb3d8e0cf9984879b5ba69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a80bceb0aacb3d8e0cf9984879b5ba69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a75f43052d5319c96086ff051786b8a37"·id="r_a75f43052d5319c96086ff051786b8a37"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#a75f43052d5319c96086ff051786b8a37">data</a></td></tr>95 <tr·class="memitem:a75f43052d5319c96086ff051786b8a37"·id="r_a75f43052d5319c96086ff051786b8a37"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d94/a03894.html#a75f43052d5319c96086ff051786b8a37">data</a></td></tr>
96 <tr·class="separator:a75f43052d5319c96086ff051786b8a37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a75f43052d5319c96086ff051786b8a37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>Nested·class·for·the·data·blocks·of·the·GAMESSFile·</p>99 <div·class="textblock"><p>Nested·class·for·the·data·blocks·of·the·GAMESSFile·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
101 </div><h2·class="groupheader">Member·Function·Documentation</h2>101 </div><h2·class="groupheader">Member·Function·Documentation</h2>
102 <a·id="aecf73f30bb0982093a13289f796b808e"·name="aecf73f30bb0982093a13289f796b808e"></a>102 <a·id="aecf73f30bb0982093a13289f796b808e"·name="aecf73f30bb0982093a13289f796b808e"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#aecf73f30bb0982093a13289f796b808e">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#aecf73f30bb0982093a13289f796b808e">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 ······<table·class="memname">106 ······<table·class="memname">
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128 ········<tr>128 ········<tr>
129 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::GAMESSDatFile::block::blockname</td>129 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::GAMESSDatFile::block::blockname</td>
130 ········</tr>130 ········</tr>
131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p>The·name·of·this·block·</p>133 <p>The·name·of·this·block·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 <a·id="a75f43052d5319c96086ff051786b8a37"·name="a75f43052d5319c96086ff051786b8a37"></a>137 <a·id="a75f43052d5319c96086ff051786b8a37"·name="a75f43052d5319c96086ff051786b8a37"></a>
138 <h2·class="memtitle"><span·class="permalink"><a·href="#a75f43052d5319c96086ff051786b8a37">&#9670;&#160;</a></span>data</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#a75f43052d5319c96086ff051786b8a37">&#9670;&#160;</a></span>data</h2>
  
139 <div·class="memitem">139 <div·class="memitem">
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145 ········<tr>145 ········<tr>
146 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::GAMESSDatFile::block::data</td>146 ··········<td·class="memname"><a·class="el"·href="../../de/d7e/a03618.html">StringHashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·BALL::GAMESSDatFile::block::data</td>
147 ········</tr>147 ········</tr>
148 ······</table>148 ······</table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <p>Stores·the·data·in·key·-·value·format·</p>150 <p>Stores·the·data·in·key·-·value·format·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 </div><!--·contents·-->154 </div><!--·contents·-->
155 <!--·start·footer·part·-->155 <!--·start·footer·part·-->
156 <hr·class="footer"/><address·class="footer"><small>156 <hr·class="footer"/><address·class="footer"><small>
157 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8157 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../da/d97/a06539.html">List·of·all·members</a>··</div>78 <a·href="../../da/d97/a06539.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/dff/a01910_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::PCMCavFreeEnergyProcessor:</div>84 Inheritance·diagram·for·BALL::PCMCavFreeEnergyProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/d95/a06542.png"·usemap="#BALL::PCMCavFreeEnergyProcessor_map"·alt=""/>87 ··<img·src="../../d6/d95/a06542.png"·usemap="#BALL::PCMCavFreeEnergyProcessor_map"·alt=""/>
88 ··<map·id="BALL::PCMCavFreeEnergyProcessor_map"·name="BALL::PCMCavFreeEnergyProcessor_map">88 ··<map·id="BALL::PCMCavFreeEnergyProcessor_map"·name="BALL::PCMCavFreeEnergyProcessor_map">
89 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>89 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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176 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>176 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
177 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>177 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
178 </table>178 </table>
179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
180 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·implemented·in·the·PCM·model.·It·is·based·on·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·and·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>The·energy·value·is·returned·in·units·of·kJ/mol.·</dd></dl>180 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·implemented·in·the·PCM·model.·It·is·based·on·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·and·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>The·energy·value·is·returned·in·units·of·kJ/mol.·</dd></dl>
181 <dl·class="section·user"><dt></dt><dd></dd></dl>181 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>183 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
184 <a·id="abb0d1748bb35df6612816eadb3ba45c7"·name="abb0d1748bb35df6612816eadb3ba45c7"></a>184 <a·id="abb0d1748bb35df6612816eadb3ba45c7"·name="abb0d1748bb35df6612816eadb3ba45c7"></a>
185 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0d1748bb35df6612816eadb3ba45c7">&#9670;&#160;</a></span>PCMCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>185 <h2·class="memtitle"><span·class="permalink"><a·href="#abb0d1748bb35df6612816eadb3ba45c7">&#9670;&#160;</a></span>PCMCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
186 <div·class="memitem">186 <div·class="memitem">
187 <div·class="memproto">187 <div·class="memproto">
188 ······<table·class="memname">188 ······<table·class="memname">
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350 ········<tr>350 ········<tr>
351 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PCMCavFreeEnergyProcessor::options</td>351 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PCMCavFreeEnergyProcessor::options</td>
352 ········</tr>352 ········</tr>
353 ······</table>353 ······</table>
354 </div><div·class="memdoc">354 </div><div·class="memdoc">
355 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>355 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
356 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>356 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
357 </div>357 </div>
358 </div>358 </div>
359 </div><!--·contents·-->359 </div><!--·contents·-->
360 <!--·start·footer·part·-->360 <!--·start·footer·part·-->
361 <hr·class="footer"/><address·class="footer"><small>361 <hr·class="footer"/><address·class="footer"><small>
362 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8362 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
79 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;79 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
80 <a·href="../../db/d47/a03199.html">List·of·all·members</a>··</div>80 <a·href="../../db/d47/a03199.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VersionInfo·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VersionInfo·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/d0e/a02124.html">Common·Definitions</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/COMMON/version.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d14/a00608_source.html">BALL/COMMON/version.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
87 Public·Types</h2></td></tr>87 Public·Types</h2></td></tr>
88 <tr·class="memitem:a4a1adc2c533684b3c2e5b7b19770df10"·id="r_a4a1adc2c533684b3c2e5b7b19770df10"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10">Type</a>·{·<br·/>88 <tr·class="memitem:a4a1adc2c533684b3c2e5b7b19770df10"·id="r_a4a1adc2c533684b3c2e5b7b19770df10"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10">Type</a>·{·<br·/>
89 &#160;&#160;<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a7810406baee9ef48fd8583cefa7e1b52">STABLE</a>89 &#160;&#160;<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a7810406baee9ef48fd8583cefa7e1b52">STABLE</a>
90 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a02fd20a0748c1427a43289ccbde8e027">ALPHA</a>90 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a02fd20a0748c1427a43289ccbde8e027">ALPHA</a>
91 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce">BETA</a>91 ,·<a·class="el"·href="../../d6/d9b/a03202.html#a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce">BETA</a>
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120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p>Version·information·class.·The·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·release,·release·data·and·related·version·can·be·retrieved·by·these·methods.·</p><dl·class="section·user"><dt></dt><dd>Stable·releases·are·designated·with·numbers·only.·</dd></dl>121 <div·class="textblock"><p>Version·information·class.·The·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·release,·release·data·and·related·version·can·be·retrieved·by·these·methods.·</p><dl·class="section·user"><dt></dt><dd>Stable·releases·are·designated·with·numbers·only.·</dd></dl>
122 <dl·class="section·user"><dt></dt><dd>Alpha,·beta,·nonpublic,·or·prereleases·are·suffixed·as·"alpha",·"beta",·"nonpublic",·and·"pre",·respectively.·</dd></dl>122 <dl·class="section·user"><dt></dt><dd>Alpha,·beta,·nonpublic,·or·prereleases·are·suffixed·as·"alpha",·"beta",·"nonpublic",·and·"pre",·respectively.·</dd></dl>
123 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d6/d9b/a03202.html">VersionInfo</a>·class·contains·only·static·methods·that·can·be·used·to·retrieve·the·desired·information.·</dd></dl>123 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d6/d9b/a03202.html">VersionInfo</a>·class·contains·only·static·methods·that·can·be·used·to·retrieve·the·desired·information.·</dd></dl>
124 <dl·class="section·user"><dt></dt><dd>The·release·string·(BALL_RELEASE_STRING)·is·defined·in·include/BALL/CONFIG/config.h·</dd></dl>124 <dl·class="section·user"><dt></dt><dd>The·release·string·(BALL_RELEASE_STRING)·is·defined·in·include/BALL/CONFIG/config.h·</dd></dl>
125 <dl·class="section·user"><dt></dt><dd></dd></dl>125 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">version.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
127 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>127 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
128 <a·id="a4a1adc2c533684b3c2e5b7b19770df10"·name="a4a1adc2c533684b3c2e5b7b19770df10"></a>128 <a·id="a4a1adc2c533684b3c2e5b7b19770df10"·name="a4a1adc2c533684b3c2e5b7b19770df10"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a1adc2c533684b3c2e5b7b19770df10">&#9670;&#160;</a></span>Type</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a4a1adc2c533684b3c2e5b7b19770df10">&#9670;&#160;</a></span>Type</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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144 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce"·name="a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce"></a>BETA&#160;</td><td·class="fielddoc"></td></tr>144 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce"·name="a4a1adc2c533684b3c2e5b7b19770df10a6f3d09733df110ff2a85a8b487ce55ce"></a>BETA&#160;</td><td·class="fielddoc"></td></tr>
145 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10ace10bb42649400cfba3a3ab03acc66f1"·name="a4a1adc2c533684b3c2e5b7b19770df10ace10bb42649400cfba3a3ab03acc66f1"></a>NONPUBLIC&#160;</td><td·class="fielddoc"></td></tr>145 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10ace10bb42649400cfba3a3ab03acc66f1"·name="a4a1adc2c533684b3c2e5b7b19770df10ace10bb42649400cfba3a3ab03acc66f1"></a>NONPUBLIC&#160;</td><td·class="fielddoc"></td></tr>
146 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10aebbd5f7a668154009ca39d9e029bcbe1"·name="a4a1adc2c533684b3c2e5b7b19770df10aebbd5f7a668154009ca39d9e029bcbe1"></a>PRERELEASE&#160;</td><td·class="fielddoc"></td></tr>146 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10aebbd5f7a668154009ca39d9e029bcbe1"·name="a4a1adc2c533684b3c2e5b7b19770df10aebbd5f7a668154009ca39d9e029bcbe1"></a>PRERELEASE&#160;</td><td·class="fielddoc"></td></tr>
147 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10aeeb78f9138bc16eb05bbd50745bc095e"·name="a4a1adc2c533684b3c2e5b7b19770df10aeeb78f9138bc16eb05bbd50745bc095e"></a>PATCHLVL&#160;</td><td·class="fielddoc"></td></tr>147 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10aeeb78f9138bc16eb05bbd50745bc095e"·name="a4a1adc2c533684b3c2e5b7b19770df10aeeb78f9138bc16eb05bbd50745bc095e"></a>PATCHLVL&#160;</td><td·class="fielddoc"></td></tr>
148 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10ae4993a9174e612cc46d3c43d42bc901a"·name="a4a1adc2c533684b3c2e5b7b19770df10ae4993a9174e612cc46d3c43d42bc901a"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>148 <tr><td·class="fieldname"><a·id="a4a1adc2c533684b3c2e5b7b19770df10ae4993a9174e612cc46d3c43d42bc901a"·name="a4a1adc2c533684b3c2e5b7b19770df10ae4993a9174e612cc46d3c43d42bc901a"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
149 </table>149 </table>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">version.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
  
151 </div>151 </div>
152 </div>152 </div>
153 <h2·class="groupheader">Member·Function·Documentation</h2>153 <h2·class="groupheader">Member·Function·Documentation</h2>
154 <a·id="afe0f2cb339247f4529d09c06bb06f6a1"·name="afe0f2cb339247f4529d09c06bb06f6a1"></a>154 <a·id="afe0f2cb339247f4529d09c06bb06f6a1"·name="afe0f2cb339247f4529d09c06bb06f6a1"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#afe0f2cb339247f4529d09c06bb06f6a1">&#9670;&#160;</a></span>getMajorRevision()</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#afe0f2cb339247f4529d09c06bb06f6a1">&#9670;&#160;</a></span>getMajorRevision()</h2>
  
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284 ··</td>284 ··</td>
285 ··<td·class="mlabels-right">285 ··<td·class="mlabels-right">
286 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>286 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
287 ··</tr>287 ··</tr>
288 </table>288 </table>
289 </div><div·class="memdoc">289 </div><div·class="memdoc">
  
290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">version.h</a>.</p>290 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
  
291 </div>291 </div>
292 </div>292 </div>
293 <a·id="a2b0df4a3d829238afd7aea9679ad4cc6"·name="a2b0df4a3d829238afd7aea9679ad4cc6"></a>293 <a·id="a2b0df4a3d829238afd7aea9679ad4cc6"·name="a2b0df4a3d829238afd7aea9679ad4cc6"></a>
294 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b0df4a3d829238afd7aea9679ad4cc6">&#9670;&#160;</a></span>RELEASE_WHAT_STRING</h2>294 <h2·class="memtitle"><span·class="permalink"><a·href="#a2b0df4a3d829238afd7aea9679ad4cc6">&#9670;&#160;</a></span>RELEASE_WHAT_STRING</h2>
  
295 <div·class="memitem">295 <div·class="memitem">
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308 ··</td>308 ··</td>
309 ··<td·class="mlabels-right">309 ··<td·class="mlabels-right">
310 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>310 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
311 ··</tr>311 ··</tr>
312 </table>312 </table>
313 </div><div·class="memdoc">313 </div><div·class="memdoc">
  
314 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">version.h</a>.</p>314 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d14/a00608_source.html#l00073">73</a>·of·file·<a·class="el"·href="../../d4/d14/a00608_source.html">version.h</a>.</p>
  
315 </div>315 </div>
316 </div>316 </div>
317 </div><!--·contents·-->317 </div><!--·contents·-->
318 <!--·start·footer·part·-->318 <!--·start·footer·part·-->
319 <hr·class="footer"/><address·class="footer"><small>319 <hr·class="footer"/><address·class="footer"><small>
320 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8320 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d1/dd1/a05275.html">List·of·all·members</a>··</div>81 <a·href="../../d1/dd1/a05275.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94BendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94BendParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::MMFF94BendParameters:</div>87 Inheritance·diagram·for·BALL::MMFF94BendParameters:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d6/d9e/a05278.png"·usemap="#BALL::MMFF94BendParameters_map"·alt=""/>90 ··<img·src="../../d6/d9e/a05278.png"·usemap="#BALL::MMFF94BendParameters_map"·alt=""/>
91 ··<map·id="BALL::MMFF94BendParameters_map"·name="BALL::MMFF94BendParameters_map">91 ··<map·id="BALL::MMFF94BendParameters_map"·name="BALL::MMFF94BendParameters_map">
92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,194,24"/>92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,194,24"/>
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154 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>155 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
156 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·bond·bending·(see·MMFFANG.PAR)·</p>159 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·bond·bending·(see·MMFFANG.PAR)·</p>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
162 <a·id="aeba13e4e2d6a40d4b4b7e915caf8fa31"·name="aeba13e4e2d6a40d4b4b7e915caf8fa31"></a>162 <a·id="aeba13e4e2d6a40d4b4b7e915caf8fa31"·name="aeba13e4e2d6a40d4b4b7e915caf8fa31"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#aeba13e4e2d6a40d4b4b7e915caf8fa31">&#9670;&#160;</a></span>BendMap</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#aeba13e4e2d6a40d4b4b7e915caf8fa31">&#9670;&#160;</a></span>BendMap</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
165 <div·class="memproto">165 <div·class="memproto">
166 ······<table·class="memname">166 ······<table·class="memname">
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170 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d9e/a05278.html#aeba13e4e2d6a40d4b4b7e915caf8fa31">BALL::MMFF94BendParameters::BendMap</a></td>170 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>,·std::pair&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·&gt;·<a·class="el"·href="../../d6/d9e/a05278.html#aeba13e4e2d6a40d4b4b7e915caf8fa31">BALL::MMFF94BendParameters::BendMap</a></td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
  
174 <p>Map·with·the·force·constant·and·reference·angle.·</p>174 <p>Map·with·the·force·constant·and·reference·angle.·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00269">269</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>178 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
179 <a·id="a4ff733b7e200a30367c5d07b58bdd2a8"·name="a4ff733b7e200a30367c5d07b58bdd2a8"></a>179 <a·id="a4ff733b7e200a30367c5d07b58bdd2a8"·name="a4ff733b7e200a30367c5d07b58bdd2a8"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ff733b7e200a30367c5d07b58bdd2a8">&#9670;&#160;</a></span>MMFF94BendParameters()</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ff733b7e200a30367c5d07b58bdd2a8">&#9670;&#160;</a></span>MMFF94BendParameters()</h2>
  
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420 ··</td>420 ··</td>
421 ··<td·class="mlabels-right">421 ··<td·class="mlabels-right">
422 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>422 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
423 ··</tr>423 ··</tr>
424 </table>424 </table>
425 </div><div·class="memdoc">425 </div><div·class="memdoc">
  
426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00300">300</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>426 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00300">300</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
427 </div>427 </div>
428 </div>428 </div>
429 <a·id="ade7d573a7d232612abd623307ae656e0"·name="ade7d573a7d232612abd623307ae656e0"></a>429 <a·id="ade7d573a7d232612abd623307ae656e0"·name="ade7d573a7d232612abd623307ae656e0"></a>
430 <h2·class="memtitle"><span·class="permalink"><a·href="#ade7d573a7d232612abd623307ae656e0">&#9670;&#160;</a></span>parameters_</h2>430 <h2·class="memtitle"><span·class="permalink"><a·href="#ade7d573a7d232612abd623307ae656e0">&#9670;&#160;</a></span>parameters_</h2>
  
431 <div·class="memitem">431 <div·class="memitem">
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446 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>446 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
447 ··</tr>447 ··</tr>
448 </table>448 </table>
449 </div><div·class="memdoc">449 </div><div·class="memdoc">
  
450 <p>parameters·</p>450 <p>parameters·</p>
  
451 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>451 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00299">299</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
452 </div>452 </div>
453 </div>453 </div>
454 </div><!--·contents·-->454 </div><!--·contents·-->
455 <!--·start·footer·part·-->455 <!--·start·footer·part·-->
456 <hr·class="footer"/><address·class="footer"><small>456 <hr·class="footer"/><address·class="footer"><small>
457 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8457 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-slots">Public·Slots</a>·&#124;77 <a·href="#pub-slots">Public·Slots</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../db/d57/a07639.html">List·of·all·members</a>··</div>79 <a·href="../../db/d57/a07639.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MinimizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MinimizationDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d34/a00476_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01268_source.html">BALL/VIEW/DIALOGS/minimizationDialog.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::MinimizationDialog:</div>85 Inheritance·diagram·for·BALL::VIEW::MinimizationDialog:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d6/da6/a07642.png"·usemap="#BALL::VIEW::MinimizationDialog_map"·alt=""/>88 ··<img·src="../../d6/da6/a07642.png"·usemap="#BALL::VIEW::MinimizationDialog_map"·alt=""/>
89 ··<map·id="BALL::VIEW::MinimizationDialog_map"·name="BALL::VIEW::MinimizationDialog_map">89 ··<map·id="BALL::VIEW::MinimizationDialog_map"·name="BALL::VIEW::MinimizationDialog_map">
90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,191,24"/>90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,191,24"/>
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210 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>210 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>
211 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>211 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>
212 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>212 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
213 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>213 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
214 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>214 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
215 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>215 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
216 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>216 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
217 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>217 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>
218 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>218 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
219 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>219 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>
220 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>220 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
221 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>221 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>
222 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>222 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
223 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>223 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>
224 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>224 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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239 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>239 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
240 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>240 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
241 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>241 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
242 </table>242 </table>
243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>243 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
244 <div·class="textblock"><p>Dialog·for·performing·energy·minimisations·</p>244 <div·class="textblock"><p>Dialog·for·performing·energy·minimisations·</p>
  
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d34/a00476_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d34/a00476_source.html">minimizationDialog.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01268_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/dd9/a01268_source.html">minimizationDialog.h</a>.</p>
246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
247 <a·id="ab7c79174f7f67916a550cd395d729fe2"·name="ab7c79174f7f67916a550cd395d729fe2"></a>247 <a·id="ab7c79174f7f67916a550cd395d729fe2"·name="ab7c79174f7f67916a550cd395d729fe2"></a>
248 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7c79174f7f67916a550cd395d729fe2">&#9670;&#160;</a></span>MinimizationDialog()</h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7c79174f7f67916a550cd395d729fe2">&#9670;&#160;</a></span>MinimizationDialog()</h2>
  
249 <div·class="memitem">249 <div·class="memitem">
250 <div·class="memproto">250 <div·class="memproto">
251 ······<table·class="memname">251 ······<table·class="memname">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
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8 <title>BALL:·kplsModel.h·File·Reference</title>8 <title>BALL:·amiraMeshFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">kplsModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">amiraMeshFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d6/dad/a00941_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/dad/a00941_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d88/a05742.html">BALL::QSAR::KPLSModel</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de2/a03830.html">BALL::AmiraMeshFile</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">bruker2DFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">compositeProperties.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d1c/a01229_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_compositeProperties.h&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d6/dae/a01304_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/dae/a01304_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d51/a03842.html">BALL::Bruker2DFile</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07558.html">BALL::VIEW::CompositeProperties</a></td></tr>
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93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 </div><!--·contents·-->99 </div><!--·contents·-->
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/d30/a05811.html">List·of·all·members</a>··</div>77 <a·href="../../da/d30/a05811.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeProcessor·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PartialChargeProcessor·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d59/a01013_source.html">BALL/QSAR/partialChargeProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00356_source.html">BALL/QSAR/partialChargeProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PartialChargeProcessor:</div>83 Inheritance·diagram·for·BALL::PartialChargeProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/db5/a05814.png"·usemap="#BALL::PartialChargeProcessor_map"·alt=""/>86 ··<img·src="../../d6/db5/a05814.png"·usemap="#BALL::PartialChargeProcessor_map"·alt=""/>
87 ··<map·id="BALL::PartialChargeProcessor_map"·name="BALL::PartialChargeProcessor_map">87 ··<map·id="BALL::PartialChargeProcessor_map"·name="BALL::PartialChargeProcessor_map">
88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>
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139 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>140 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
141 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p>Generic·.·\·</p>144 <div·class="textblock"><p>Generic·.·\·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d59/a01013_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/d59/a01013_source.html">partialChargeProcessor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00356_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d6/de1/a00356_source.html">partialChargeProcessor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a69179bf347f9b23bc0653e38a42f7c">&#9670;&#160;</a></span>PartialChargeProcessor()·<span·class="overload">[1/2]</span></h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a1a69179bf347f9b23bc0653e38a42f7c">&#9670;&#160;</a></span>PartialChargeProcessor()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·IMGDock.h·File·Reference</title>8 <title>BALL:·raytraceableContourSurfaceDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_3f369278b07109369b05d5a815b63ef8.html">IMGDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">IMGDock.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">raytraceableContourSurfaceDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d9/d25/a01157_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;BALL/VIEW/UIC/ui_raytraceableContourSurfaceDialog.h&gt;</code><br·/>
87 <code>#include·&lt;map&gt;</code><br·/>86 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
88 </div>87 </div>
89 <p><a·href="../../d6/db6/a01172_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d6/db6/a01172_source.html">Go·to·the·source·code·of·this·file.</a></p>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d9e/a08107.html">List·of·all·members</a>··</div>78 <a·href="../../da/d9e/a08107.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TemperatureFactorColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TemperatureFactorColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::TemperatureFactorColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::TemperatureFactorColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/dbf/a08110.png"·usemap="#BALL::VIEW::TemperatureFactorColorProcessor_map"·alt=""/>87 ··<img·src="../../d6/dbf/a08110.png"·usemap="#BALL::VIEW::TemperatureFactorColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::TemperatureFactorColorProcessor_map"·name="BALL::VIEW::TemperatureFactorColorProcessor_map">88 ··<map·id="BALL::VIEW::TemperatureFactorColorProcessor_map"·name="BALL::VIEW::TemperatureFactorColorProcessor_map">
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272 </table>272 </table>
273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
274 <div·class="textblock"><p>Coloring·by·the·temperature·factor·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>274 <div·class="textblock"><p>Coloring·by·the·temperature·factor·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>
  
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276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
277 <a·id="a45d45a30c60ec39d42d3d1a9056221d7"·name="a45d45a30c60ec39d42d3d1a9056221d7"></a>277 <a·id="a45d45a30c60ec39d42d3d1a9056221d7"·name="a45d45a30c60ec39d42d3d1a9056221d7"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#a45d45a30c60ec39d42d3d1a9056221d7">&#9670;&#160;</a></span>TemperatureFactorColorProcessor()</h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#a45d45a30c60ec39d42d3d1a9056221d7">&#9670;&#160;</a></span>TemperatureFactorColorProcessor()</h2>
  
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">piecewiseFunction.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">quadruple.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;limits&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d6/dc0/a00734_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/dc0/a00734_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
98 Typedefs</h2></td></tr> 
99 <tr·class="memitem:gaa649a1311071bb1ec10fced6556f62d5"·id="r_gaa649a1311071bb1ec10fced6556f62d5"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td></tr> 
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101 <tr·class="memitem:a6491c39aea67f1a9a33305d5f000bc2f"·id="r_a6491c39aea67f1a9a33305d5f000bc2f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a6491c39aea67f1a9a33305d5f000bc2f">BALL::Interval</a></td></tr> 
102 <tr·class="separator:a6491c39aea67f1a9a33305d5f000bc2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 </table>94 </table>
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107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/d3c/a08223.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d3c/a08223.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NestedDisplayList·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLDisplayList::NestedDisplayList·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d7b/a00296_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d7b/a01478_source.html">BALL/VIEW/RENDERING/glDisplayList.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NestedDisplayList:</div>84 Inheritance·diagram·for·BALL::VIEW::GLDisplayList::NestedDisplayList:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/dc8/a08226.png"·usemap="#BALL::VIEW::GLDisplayList::NestedDisplayList_map"·alt=""/>87 ··<img·src="../../d6/dc8/a08226.png"·usemap="#BALL::VIEW::GLDisplayList::NestedDisplayList_map"·alt=""/>
88 ··<map·id="BALL::VIEW::GLDisplayList::NestedDisplayList_map"·name="BALL::VIEW::GLDisplayList::NestedDisplayList_map">88 ··<map·id="BALL::VIEW::GLDisplayList::NestedDisplayList_map"·name="BALL::VIEW::GLDisplayList::NestedDisplayList_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,269,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,269,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a>·exception·class.·This·exception·will·be·thrown·whenever·a·display·list·is·tried·to·be·defined·inside·another·definition·of·a·display·list.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../d6/dc8/a08226.html">NestedDisplayList</a>·exception·class.·This·exception·will·be·thrown·whenever·a·display·list·is·tried·to·be·defined·inside·another·definition·of·a·display·list.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7b/a00296_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../db/d7b/a00296_source.html">glDisplayList.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d7b/a01478_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d8/d7b/a01478_source.html">glDisplayList.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a3b92c152b68b6f3c6d00e6e2137e6806"·name="a3b92c152b68b6f3c6d00e6e2137e6806"></a>147 <a·id="a3b92c152b68b6f3c6d00e6e2137e6806"·name="a3b92c152b68b6f3c6d00e6e2137e6806"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b92c152b68b6f3c6d00e6e2137e6806">&#9670;&#160;</a></span>NestedDisplayList()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b92c152b68b6f3c6d00e6e2137e6806">&#9670;&#160;</a></span>NestedDisplayList()</h2>
  
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8 <title>BALL:·featureSelection.h·File·Reference</title>8 <title>BALL:·moveMode.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">featureSelection.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">moveMode.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d08/a01028_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;set&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d6/dcf/a01031_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/dcf/a01031_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/d2e/a05719.html">List·of·all·members</a>··</div>77 <a·href="../../d8/d2e/a05719.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::GPModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::GPModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dd6/a00896_source.html">BALL/QSAR/gpModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/de6/a00404_source.html">BALL/QSAR/gpModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::GPModel:</div>83 Inheritance·diagram·for·BALL::QSAR::GPModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d6/dcf/a05722.png"·usemap="#BALL::QSAR::GPModel_map"·alt=""/>86 ··<img·src="../../d6/dcf/a05722.png"·usemap="#BALL::QSAR::GPModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::GPModel_map"·name="BALL::QSAR::GPModel_map">87 ··<map·id="BALL::QSAR::GPModel_map"·name="BALL::QSAR::GPModel_map">
88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>
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277 </table>277 </table>
278 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>278 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
279 <div·class="textblock"><p>class·for·gaussian·process·regression·</p>279 <div·class="textblock"><p>class·for·gaussian·process·regression·</p>
  
280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd6/a00896_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/dd6/a00896_source.html">gpModel.h</a>.</p>280 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de6/a00404_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/de6/a00404_source.html">gpModel.h</a>.</p>
281 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>281 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
282 <a·id="abb63fe84f49a966d9080153471f33a72"·name="abb63fe84f49a966d9080153471f33a72"></a>282 <a·id="abb63fe84f49a966d9080153471f33a72"·name="abb63fe84f49a966d9080153471f33a72"></a>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d1d/a07855.html">List·of·all·members</a>··</div>78 <a·href="../../de/d1d/a07855.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowDisplayPropertiesMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowDisplayPropertiesMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ShowDisplayPropertiesMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::ShowDisplayPropertiesMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/dd4/a07858.png"·usemap="#BALL::VIEW::ShowDisplayPropertiesMessage_map"·alt=""/>87 ··<img·src="../../d6/dd4/a07858.png"·usemap="#BALL::VIEW::ShowDisplayPropertiesMessage_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ShowDisplayPropertiesMessage_map"·name="BALL::VIEW::ShowDisplayPropertiesMessage_map">88 ··<map·id="BALL::VIEW::ShowDisplayPropertiesMessage_map"·name="BALL::VIEW::ShowDisplayPropertiesMessage_map">
89 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,268,24"/>89 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,268,24"/>
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113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
114 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock"><p>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·to·show·itself.</p><dl·class="section·user"><dt></dt><dd>Send·by·the·GeometriControl·and·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>117 <div·class="textblock"><p>Notify·the·<a·class="el"·href="../../da/dde/a07566.html">DisplayProperties</a>·dialog·to·show·itself.</p><dl·class="section·user"><dt></dt><dd>Send·by·the·GeometriControl·and·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>.·</dd></dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00677">677</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00677">677</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="a7cdfc47b89fcb299bf56b2e5d7929f04"·name="a7cdfc47b89fcb299bf56b2e5d7929f04"></a>120 <a·id="a7cdfc47b89fcb299bf56b2e5d7929f04"·name="a7cdfc47b89fcb299bf56b2e5d7929f04"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cdfc47b89fcb299bf56b2e5d7929f04">&#9670;&#160;</a></span>ShowDisplayPropertiesMessage()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a7cdfc47b89fcb299bf56b2e5d7929f04">&#9670;&#160;</a></span>ShowDisplayPropertiesMessage()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
140 ··</tr>140 ··</tr>
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80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSLTBRG·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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152 </div>152 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d8/d3d/a06135.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d3d/a06135.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
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91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a0d726c7ab0061252c7780b3f37bb2a3f"·name="a0d726c7ab0061252c7780b3f37bb2a3f"></a>95 <a·id="a0d726c7ab0061252c7780b3f37bb2a3f"·name="a0d726c7ab0061252c7780b3f37bb2a3f"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d726c7ab0061252c7780b3f37bb2a3f">&#9670;&#160;</a></span>SCOREGRID_INTERPOLATION</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d726c7ab0061252c7780b3f37bb2a3f">&#9670;&#160;</a></span>SCOREGRID_INTERPOLATION</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
113 </table>113 </table>
114 </div><div·class="memdoc">114 </div><div·class="memdoc">
115 <p>determines·whether·or·not·interpolation·should·be·used·in·order·to·calculated·the·score·from·the·precalculated·ScoreGridSets.·</p>115 <p>determines·whether·or·not·interpolation·should·be·used·in·order·to·calculated·the·score·from·the·precalculated·ScoreGridSets.·</p>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 <a·id="abc8efe81fbfbd23ae72292b2b909ea1e"·name="abc8efe81fbfbd23ae72292b2b909ea1e"></a>119 <a·id="abc8efe81fbfbd23ae72292b2b909ea1e"·name="abc8efe81fbfbd23ae72292b2b909ea1e"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#abc8efe81fbfbd23ae72292b2b909ea1e">&#9670;&#160;</a></span>SCOREGRID_RESOLUTION</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#abc8efe81fbfbd23ae72292b2b909ea1e">&#9670;&#160;</a></span>SCOREGRID_RESOLUTION</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
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135 ··<td·class="mlabels-right">135 ··<td·class="mlabels-right">
136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
137 ··</tr>137 ··</tr>
138 </table>138 </table>
139 </div><div·class="memdoc">139 </div><div·class="memdoc">
140 <p>the·resolution·of·the·ScoreGrids·in·units·of·Angstroem·(not·to·be·confused·with·<a·class="el"·href="../../d0/d64/a06166.html#a339f9de3ac313ad500b7e8d3a1b0d9f1">ScoringFunction::resolution_</a>,·which·is·the·resolution·of·the·_Hash_Grid·!!)·</p>140 <p>the·resolution·of·the·ScoreGrids·in·units·of·Angstroem·(not·to·be·confused·with·<a·class="el"·href="../../d0/d64/a06166.html#a339f9de3ac313ad500b7e8d3a1b0d9f1">ScoringFunction::resolution_</a>,·which·is·the·resolution·of·the·_Hash_Grid·!!)·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
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8 <title>BALL:·iconLoader.h·File·Reference</title>8 <title>BALL:·rombergIntegrator.h·File·Reference</title>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">iconLoader.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rombergIntegrator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/> 
82 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d1a/a00251_source.html">BALL/MATHS/numericalIntegrator.h</a>&gt;</code><br·/>
84 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
87 </div>82 </div>
88 <p><a·href="../../d6/de1/a00233_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d6/de1/a00233_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">84 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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96 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
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78 ··<div·class="headertitle"><div·class="title">geometricControl.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">partialChargeProcessor.h·File·Reference</div></div>
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80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/>83 <code>#include·&lt;vector&gt;</code><br·/>
85 <code>#include·&lt;QtWidgets/QMenu&gt;</code><br·/>84 <code>#include·&lt;utility&gt;</code><br·/>
86 </div>85 </div>
87 <p><a·href="../../d6/de1/a00356_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d6/de1/a00356_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">87 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 </table>97 </table>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/d44/a05675.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d44/a05675.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::SingularMatrixError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::SingularMatrixError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::SingularMatrixError:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::SingularMatrixError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/de4/a05678.png"·usemap="#BALL::QSAR::Exception::SingularMatrixError_map"·alt=""/>87 ··<img·src="../../d6/de4/a05678.png"·usemap="#BALL::QSAR::Exception::SingularMatrixError_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::SingularMatrixError_map"·name="BALL::QSAR::Exception::SingularMatrixError_map">88 ··<map·id="BALL::QSAR::Exception::SingularMatrixError_map"·name="BALL::QSAR::Exception::SingularMatrixError_map">
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·singular,·i.e.·non-invertible,·matrices·</p>143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·singular,·i.e.·non-invertible,·matrices·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a8a03967b3d03a0f48935dd4333441493"·name="a8a03967b3d03a0f48935dd4333441493"></a>146 <a·id="a8a03967b3d03a0f48935dd4333441493"·name="a8a03967b3d03a0f48935dd4333441493"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a03967b3d03a0f48935dd4333441493">&#9670;&#160;</a></span>SingularMatrixError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a03967b3d03a0f48935dd4333441493">&#9670;&#160;</a></span>SingularMatrixError()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../df/d8f/a07379.html">List·of·all·members</a>··</div>78 <a·href="../../df/d8f/a07379.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;:</div>84 Inheritance·diagram·for·BALL::TReadWriteLock&lt;·QReadWriteLock·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/de4/a07382.png"·alt=""/>87 ··<img·src="../../d6/de4/a07382.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
91 Public·Member·Functions</h2></td></tr>91 Public·Member·Functions</h2></td></tr>
92 <tr·class="memitem:ac67c8980e95bff9fa29135fc85a48790"·id="r_ac67c8980e95bff9fa29135fc85a48790"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de4/a07382.html#ac67c8980e95bff9fa29135fc85a48790">TReadWriteLock</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>92 <tr·class="memitem:ac67c8980e95bff9fa29135fc85a48790"·id="r_ac67c8980e95bff9fa29135fc85a48790"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de4/a07382.html#ac67c8980e95bff9fa29135fc85a48790">TReadWriteLock</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>
93 <tr·class="separator:ac67c8980e95bff9fa29135fc85a48790"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ac67c8980e95bff9fa29135fc85a48790"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="ac67c8980e95bff9fa29135fc85a48790"·name="ac67c8980e95bff9fa29135fc85a48790"></a>99 <a·id="ac67c8980e95bff9fa29135fc85a48790"·name="ac67c8980e95bff9fa29135fc85a48790"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#ac67c8980e95bff9fa29135fc85a48790">&#9670;&#160;</a></span>TReadWriteLock()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#ac67c8980e95bff9fa29135fc85a48790">&#9670;&#160;</a></span>TReadWriteLock()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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117 ··</td>117 ··</td>
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123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
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129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··82 <p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.··
83 ·<a·href="../../d6/de6/a03534.html#details">More...</a></p>83 ·<a·href="../../d6/de6/a03534.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey:</div>86 Inheritance·diagram·for·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d6/de6/a03534.png"·usemap="#BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·alt=""/>89 ··<img·src="../../d6/de6/a03534.png"·usemap="#BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·alt=""/>
90 ··<map·id="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·name="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map">90 ··<map·id="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map"·name="BALL::HashMap_3C_20Key_2C_20T_20_3E::IllegalKey_map">
91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>
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142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key,·class·T&gt;<br·/>146 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key,·class·T&gt;<br·/>
147 class·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</div><p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.·</p>147 class·BALL::HashMap&lt;·Key,·T·&gt;::IllegalKey</div><p><a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·illegal·key·exception.·</p>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="ae1e156a449ee3a807f4feabdce0e8ad3"·name="ae1e156a449ee3a807f4feabdce0e8ad3"></a>150 <a·id="ae1e156a449ee3a807f4feabdce0e8ad3"·name="ae1e156a449ee3a807f4feabdce0e8ad3"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1e156a449ee3a807f4feabdce0e8ad3">&#9670;&#160;</a></span>IllegalKey()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1e156a449ee3a807f4feabdce0e8ad3">&#9670;&#160;</a></span>IllegalKey()</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
153 <div·class="memproto">153 <div·class="memproto">
154 <div·class="memtemplate">154 <div·class="memtemplate">
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180 ··</td>180 ··</td>
181 ··<td·class="mlabels-right">181 ··<td·class="mlabels-right">
182 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>182 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
183 ··</tr>183 ··</tr>
184 </table>184 </table>
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186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
187 </div>187 </div>
188 </div>188 </div>
189 </div><!--·contents·-->189 </div><!--·contents·-->
190 <!--·start·footer·part·-->190 <!--·start·footer·part·-->
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192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8192 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d6/da4/a03663.html">List·of·all·members</a>··</div>81 <a·href="../../d6/da4/a03663.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::FlexibleMolecule·Class·Reference</div></div>82 ··<div·class="headertitle"><div·class="title">BALL::FlexibleMolecule·Class·Reference</div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::FlexibleMolecule:</div>87 Inheritance·diagram·for·BALL::FlexibleMolecule:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d6/de6/a03666.png"·usemap="#BALL::FlexibleMolecule_map"·alt=""/>90 ··<img·src="../../d6/de6/a03666.png"·usemap="#BALL::FlexibleMolecule_map"·alt=""/>
91 ··<map·id="BALL::FlexibleMolecule_map"·name="BALL::FlexibleMolecule_map">91 ··<map·id="BALL::FlexibleMolecule_map"·name="BALL::FlexibleMolecule_map">
92 <area·href="../../d1/d5f/a03706.html"·alt="BALL::Receptor"·shape="rect"·coords="0,56,145,80"/>92 <area·href="../../d1/d5f/a03706.html"·alt="BALL::Receptor"·shape="rect"·coords="0,56,145,80"/>
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153 <tr·class="separator:aa79417775ca49a5fd128cff7a27b07d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:aa79417775ca49a5fd128cff7a27b07d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
154 <tr·class="memitem:abf0057f60f48c20ba5ac43e66c7dc524"·id="r_abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#abf0057f60f48c20ba5ac43e66c7dc524">molecule_ownership_</a></td></tr>154 <tr·class="memitem:abf0057f60f48c20ba5ac43e66c7dc524"·id="r_abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a03666.html#abf0057f60f48c20ba5ac43e66c7dc524">molecule_ownership_</a></td></tr>
155 <tr·class="separator:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memSeparator"·colspan="2">&#160;</td></tr>155 <tr·class="separator:abf0057f60f48c20ba5ac43e66c7dc524"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
156 </table>156 </table>
157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>157 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
158 <div·class="textblock"><p><a·class="el"·href="../../d6/de6/a03666.html">FlexibleMolecule</a>·class.·This·class·represents·any·molecule·having·multiple·conformers.·</p>158 <div·class="textblock"><p><a·class="el"·href="../../d6/de6/a03666.html">FlexibleMolecule</a>·class.·This·class·represents·any·molecule·having·multiple·conformers.·</p>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
161 <a·id="a15e890acee176b276f3af96ddd9b47be"·name="a15e890acee176b276f3af96ddd9b47be"></a>161 <a·id="a15e890acee176b276f3af96ddd9b47be"·name="a15e890acee176b276f3af96ddd9b47be"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a15e890acee176b276f3af96ddd9b47be">&#9670;&#160;</a></span>FlexibleMolecule()·<span·class="overload">[1/2]</span></h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a15e890acee176b276f3af96ddd9b47be">&#9670;&#160;</a></span>FlexibleMolecule()·<span·class="overload">[1/2]</span></h2>
  
163 <div·class="memitem">163 <div·class="memitem">
164 <div·class="memproto">164 <div·class="memproto">
165 ······<table·class="memname">165 ······<table·class="memname">
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595 ··</td>595 ··</td>
596 ··<td·class="mlabels-right">596 ··<td·class="mlabels-right">
597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
598 ··</tr>598 ··</tr>
599 </table>599 </table>
600 </div><div·class="memdoc">600 </div><div·class="memdoc">
  
601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
602 </div>602 </div>
603 </div>603 </div>
604 <a·id="a83254e71d58fe82031bad841022f6324"·name="a83254e71d58fe82031bad841022f6324"></a>604 <a·id="a83254e71d58fe82031bad841022f6324"·name="a83254e71d58fe82031bad841022f6324"></a>
605 <h2·class="memtitle"><span·class="permalink"><a·href="#a83254e71d58fe82031bad841022f6324">&#9670;&#160;</a></span>conformations</h2>605 <h2·class="memtitle"><span·class="permalink"><a·href="#a83254e71d58fe82031bad841022f6324">&#9670;&#160;</a></span>conformations</h2>
  
606 <div·class="memitem">606 <div·class="memitem">
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619 ··</td>619 ··</td>
620 ··<td·class="mlabels-right">620 ··<td·class="mlabels-right">
621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>621 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
622 ··</tr>622 ··</tr>
623 </table>623 </table>
624 </div><div·class="memdoc">624 </div><div·class="memdoc">
  
625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
626 </div>626 </div>
627 </div>627 </div>
628 <a·id="ae1c2a7fc768cdac801685e7370f4bfee"·name="ae1c2a7fc768cdac801685e7370f4bfee"></a>628 <a·id="ae1c2a7fc768cdac801685e7370f4bfee"·name="ae1c2a7fc768cdac801685e7370f4bfee"></a>
629 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2a7fc768cdac801685e7370f4bfee">&#9670;&#160;</a></span>id</h2>629 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1c2a7fc768cdac801685e7370f4bfee">&#9670;&#160;</a></span>id</h2>
  
630 <div·class="memitem">630 <div·class="memitem">
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643 ··</td>643 ··</td>
644 ··<td·class="mlabels-right">644 ··<td·class="mlabels-right">
645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
646 ··</tr>646 ··</tr>
647 </table>647 </table>
648 </div><div·class="memdoc">648 </div><div·class="memdoc">
  
649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
650 </div>650 </div>
651 </div>651 </div>
652 <a·id="a250113eb9683c992707471d9d1fe620d"·name="a250113eb9683c992707471d9d1fe620d"></a>652 <a·id="a250113eb9683c992707471d9d1fe620d"·name="a250113eb9683c992707471d9d1fe620d"></a>
653 <h2·class="memtitle"><span·class="permalink"><a·href="#a250113eb9683c992707471d9d1fe620d">&#9670;&#160;</a></span>molecule</h2>653 <h2·class="memtitle"><span·class="permalink"><a·href="#a250113eb9683c992707471d9d1fe620d">&#9670;&#160;</a></span>molecule</h2>
  
654 <div·class="memitem">654 <div·class="memitem">
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667 ··</td>667 ··</td>
668 ··<td·class="mlabels-right">668 ··<td·class="mlabels-right">
669 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>669 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
670 ··</tr>670 ··</tr>
671 </table>671 </table>
672 </div><div·class="memdoc">672 </div><div·class="memdoc">
  
673 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>673 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00112">112</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
674 </div>674 </div>
675 </div>675 </div>
676 <a·id="abf0057f60f48c20ba5ac43e66c7dc524"·name="abf0057f60f48c20ba5ac43e66c7dc524"></a>676 <a·id="abf0057f60f48c20ba5ac43e66c7dc524"·name="abf0057f60f48c20ba5ac43e66c7dc524"></a>
677 <h2·class="memtitle"><span·class="permalink"><a·href="#abf0057f60f48c20ba5ac43e66c7dc524">&#9670;&#160;</a></span>molecule_ownership_</h2>677 <h2·class="memtitle"><span·class="permalink"><a·href="#abf0057f60f48c20ba5ac43e66c7dc524">&#9670;&#160;</a></span>molecule_ownership_</h2>
  
678 <div·class="memitem">678 <div·class="memitem">
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691 ··</td>691 ··</td>
692 ··<td·class="mlabels-right">692 ··<td·class="mlabels-right">
693 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>693 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
694 ··</tr>694 ··</tr>
695 </table>695 </table>
696 </div><div·class="memdoc">696 </div><div·class="memdoc">
  
697 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d17/a01148_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../db/d17/a01148_source.html">flexibleMolecule.h</a>.</p>697 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">flexibleMolecule.h</a>.</p>
  
698 </div>698 </div>
699 </div>699 </div>
700 </div><!--·contents·-->700 </div><!--·contents·-->
701 <!--·start·footer·part·-->701 <!--·start·footer·part·-->
702 <hr·class="footer"/><address·class="footer"><small>702 <hr·class="footer"/><address·class="footer"><small>
703 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8703 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d4/d54/a05231.html">List·of·all·members</a>··</div>80 <a·href="../../d4/d54/a05231.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::MMFF94NonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::MMFF94NonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d1b/a01583_source.html">BALL/MOLMEC/MMFF94/MMFF94NonBonded.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00113_source.html">BALL/MOLMEC/MMFF94/MMFF94NonBonded.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::MMFF94NonBonded:</div>86 Inheritance·diagram·for·BALL::MMFF94NonBonded:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d6/de6/a05234.png"·usemap="#BALL::MMFF94NonBonded_map"·alt=""/>89 ··<img·src="../../d6/de6/a05234.png"·usemap="#BALL::MMFF94NonBonded_map"·alt=""/>
90 ··<map·id="BALL::MMFF94NonBonded_map"·name="BALL::MMFF94NonBonded_map">90 ··<map·id="BALL::MMFF94NonBonded_map"·name="BALL::MMFF94NonBonded_map">
91 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>91 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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260 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>260 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
261 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>261 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
262 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>262 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
263 </table>263 </table>
264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>264 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
265 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>265 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>
  
266 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">MMFF94NonBonded.h</a>.</p>266 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
267 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>267 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
268 <a·id="a0787719db10f6ceca9a3e31d7e6b509e"·name="a0787719db10f6ceca9a3e31d7e6b509e"></a>268 <a·id="a0787719db10f6ceca9a3e31d7e6b509e"·name="a0787719db10f6ceca9a3e31d7e6b509e"></a>
269 <h2·class="memtitle"><span·class="permalink"><a·href="#a0787719db10f6ceca9a3e31d7e6b509e">&#9670;&#160;</a></span>MMFF94NonBonded()·<span·class="overload">[1/3]</span></h2>269 <h2·class="memtitle"><span·class="permalink"><a·href="#a0787719db10f6ceca9a3e31d7e6b509e">&#9670;&#160;</a></span>MMFF94NonBonded()·<span·class="overload">[1/3]</span></h2>
  
270 <div·class="memitem">270 <div·class="memitem">
271 <div·class="memproto">271 <div·class="memproto">
272 ······<table·class="memname">272 ······<table·class="memname">
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428 ··</td>428 ··</td>
429 ··<td·class="mlabels-right">429 ··<td·class="mlabels-right">
430 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>430 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
431 ··</tr>431 ··</tr>
432 </table>432 </table>
433 </div><div·class="memdoc">433 </div><div·class="memdoc">
  
434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">MMFF94NonBonded.h</a>.</p>434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
  
435 </div>435 </div>
436 </div>436 </div>
437 <a·id="a149e2d2cde35c16d099fc9bc6f6ecd04"·name="a149e2d2cde35c16d099fc9bc6f6ecd04"></a>437 <a·id="a149e2d2cde35c16d099fc9bc6f6ecd04"·name="a149e2d2cde35c16d099fc9bc6f6ecd04"></a>
438 <h2·class="memtitle"><span·class="permalink"><a·href="#a149e2d2cde35c16d099fc9bc6f6ecd04">&#9670;&#160;</a></span>getESEnergy()</h2>438 <h2·class="memtitle"><span·class="permalink"><a·href="#a149e2d2cde35c16d099fc9bc6f6ecd04">&#9670;&#160;</a></span>getESEnergy()</h2>
  
439 <div·class="memitem">439 <div·class="memitem">
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472 ··</td>472 ··</td>
473 ··<td·class="mlabels-right">473 ··<td·class="mlabels-right">
474 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>474 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
475 ··</tr>475 ··</tr>
476 </table>476 </table>
477 </div><div·class="memdoc">477 </div><div·class="memdoc">
  
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681 ··</tr>681 ··</tr>
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684 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">MMFF94NonBonded.h</a>.</p>684 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">MMFF94NonBonded.h</a>.</p>
  
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688 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fa98c3460094d3e74bf1422a304bbd6">&#9670;&#160;</a></span>vdw_energy_</h2>688 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fa98c3460094d3e74bf1422a304bbd6">&#9670;&#160;</a></span>vdw_energy_</h2>
  
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702 ··</td>702 ··</td>
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705 ··</tr>705 ··</tr>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">shiftModel1D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">HTMLPage.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>82 <code>#include·&lt;QtCore/QHash&gt;</code><br·/>
 83 <code>#include·&lt;QtWebEngineWidgets/QWebEnginePage&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d6/dea/a01094_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d6/dea/a01094_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a05530.html">BALL::ShiftModel1D</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d58/a08418.html">BALL::VIEW::HTMLPage</a></td></tr>
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93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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96 </div><!--·contents·-->99 </div><!--·contents·-->
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/de6/a05607.html">List·of·all·members</a>··</div>78 <a·href="../../db/de6/a05607.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::AutomaticModelCreator·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::AutomaticModelCreator·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/QSAR/automaticModelCreator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/df5/a00386_source.html">BALL/QSAR/automaticModelCreator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a767944508fe16436033f5ccdbc143897"·id="r_a767944508fe16436033f5ccdbc143897"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a767944508fe16436033f5ccdbc143897">AutomaticModelCreator</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·*data)</td></tr>86 <tr·class="memitem:a767944508fe16436033f5ccdbc143897"·id="r_a767944508fe16436033f5ccdbc143897"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a767944508fe16436033f5ccdbc143897">AutomaticModelCreator</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·*data)</td></tr>
87 <tr·class="separator:a767944508fe16436033f5ccdbc143897"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a767944508fe16436033f5ccdbc143897"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a7c652cb7994da8ca3b23b5bc50e9c3d5"·id="r_a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a7c652cb7994da8ca3b23b5bc50e9c3d5">generateModel</a>·()</td></tr>88 <tr·class="memitem:a7c652cb7994da8ca3b23b5bc50e9c3d5"·id="r_a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/dc9/a05774.html">Model</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a7c652cb7994da8ca3b23b5bc50e9c3d5">generateModel</a>·()</td></tr>
89 <tr·class="separator:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a7c652cb7994da8ca3b23b5bc50e9c3d5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="memitem:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"·id="r_a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a9e1a9a8a2d196a5efc8b0c80fd63ac2f">setMinQuality</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·min_quality)</td></tr>93 <tr·class="memitem:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"·id="r_a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dea/a05610.html#a9e1a9a8a2d196a5efc8b0c80fd63ac2f">setMinQuality</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·min_quality)</td></tr>
94 <tr·class="separator:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a9e1a9a8a2d196a5efc8b0c80fd63ac2f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p>A·class·for·automatic·creation·of·the·most·appropriate·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·model.<br··/>97 <div·class="textblock"><p>A·class·for·automatic·creation·of·the·most·appropriate·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·model.<br··/>
98 All·available·model-types·are·therefore·evaluated·using·nested·cross-validation·and·several·successive·feature·selection·steps.·</p>98 All·available·model-types·are·therefore·evaluated·using·nested·cross-validation·and·several·successive·feature·selection·steps.·</p>
  
99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">automaticModelCreator.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df5/a00386_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/df5/a00386_source.html">automaticModelCreator.h</a>.</p>
100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>100 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
101 <a·id="a767944508fe16436033f5ccdbc143897"·name="a767944508fe16436033f5ccdbc143897"></a>101 <a·id="a767944508fe16436033f5ccdbc143897"·name="a767944508fe16436033f5ccdbc143897"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a767944508fe16436033f5ccdbc143897">&#9670;&#160;</a></span>AutomaticModelCreator()</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a767944508fe16436033f5ccdbc143897">&#9670;&#160;</a></span>AutomaticModelCreator()</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
104 <div·class="memproto">104 <div·class="memproto">
105 ······<table·class="memname">105 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d9/da0/a06359.html">List·of·all·members</a>··</div>79 <a·href="../../d9/da0/a06359.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Solvation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Solvation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Solvation:</div>85 Inheritance·diagram·for·BALL::Solvation:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d6/deb/a06362.png"·usemap="#BALL::Solvation_map"·alt=""/>88 ··<img·src="../../d6/deb/a06362.png"·usemap="#BALL::Solvation_map"·alt=""/>
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191 Additional·Inherited·Members</h2></td></tr>191 Additional·Inherited·Members</h2></td></tr>
192 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>192 <tr·class="inherit_header·pro_methods_a06162"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06162')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d4/d3a/a06162.html">BALL::ScoringComponent</a></td></tr>
193 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>193 <tr·class="memitem:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"·id="r_af0e53f17f9760bf500c2dbcf15d7fa3e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#af0e53f17f9760bf500c2dbcf15d7fa3e">scaleScore</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·score)·const</td></tr>
194 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>194 <tr·class="separator:af0e53f17f9760bf500c2dbcf15d7fa3e·inherit·pro_methods_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
195 </table>195 </table>
196 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>196 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
197 <div·class="textblock">197 <div·class="textblock">
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d29/a20374_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../de/d29/a20374_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
199 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>199 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
200 <a·id="ac3ed73a227c4587117652b3f11d97e12"·name="ac3ed73a227c4587117652b3f11d97e12"></a>200 <a·id="ac3ed73a227c4587117652b3f11d97e12"·name="ac3ed73a227c4587117652b3f11d97e12"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3ed73a227c4587117652b3f11d97e12">&#9670;&#160;</a></span>Solvation()</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3ed73a227c4587117652b3f11d97e12">&#9670;&#160;</a></span>Solvation()</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
203 <div·class="memproto">203 <div·class="memproto">
204 ······<table·class="memname">204 ······<table·class="memname">
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292 ··</td>292 ··</td>
293 ··<td·class="mlabels-right">293 ··<td·class="mlabels-right">
294 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>294 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
295 ··</tr>295 ··</tr>
296 </table>296 </table>
297 </div><div·class="memdoc">297 </div><div·class="memdoc">
  
298 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d29/a20374_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/d29/a20374_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>298 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
  
299 </div>299 </div>
300 </div>300 </div>
301 <a·id="a42d534d3a1a82339c6fc1a8f9454d081"·name="a42d534d3a1a82339c6fc1a8f9454d081"></a>301 <a·id="a42d534d3a1a82339c6fc1a8f9454d081"·name="a42d534d3a1a82339c6fc1a8f9454d081"></a>
302 <h2·class="memtitle"><span·class="permalink"><a·href="#a42d534d3a1a82339c6fc1a8f9454d081">&#9670;&#160;</a></span>solvation_volumes</h2>302 <h2·class="memtitle"><span·class="permalink"><a·href="#a42d534d3a1a82339c6fc1a8f9454d081">&#9670;&#160;</a></span>solvation_volumes</h2>
  
303 <div·class="memitem">303 <div·class="memitem">
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316 ··</td>316 ··</td>
317 ··<td·class="mlabels-right">317 ··<td·class="mlabels-right">
318 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>318 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
319 ··</tr>319 ··</tr>
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321 </div><div·class="memdoc">321 </div><div·class="memdoc">
  
322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d29/a20374_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/d29/a20374_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>322 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/df7/a20389_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/df7/a20389_source.html">SCORING/COMPONENTS/solvation.h</a>.</p>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::JCAMPFile::JCAMPValue·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::JCAMPFile::JCAMPValue·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/d1c/a01229_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:aae4a0dca0d04dbd5d12fcf7da1480ca8"·id="r_aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#aae4a0dca0d04dbd5d12fcf7da1480ca8">JCAMPValue</a>·()</td></tr>87 <tr·class="memitem:aae4a0dca0d04dbd5d12fcf7da1480ca8"·id="r_aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#aae4a0dca0d04dbd5d12fcf7da1480ca8">JCAMPValue</a>·()</td></tr>
88 <tr·class="separator:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:aae4a0dca0d04dbd5d12fcf7da1480ca8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="separator:a02af30b187cdc22aea23f02e6085b2d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a02af30b187cdc22aea23f02e6085b2d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="memitem:a93c800a2a75cc94f05637ce1fde87691"·id="r_a93c800a2a75cc94f05637ce1fde87691"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a93c800a2a75cc94f05637ce1fde87691">numeric_value</a></td></tr>99 <tr·class="memitem:a93c800a2a75cc94f05637ce1fde87691"·id="r_a93c800a2a75cc94f05637ce1fde87691"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a93c800a2a75cc94f05637ce1fde87691">numeric_value</a></td></tr>
100 <tr·class="separator:a93c800a2a75cc94f05637ce1fde87691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a93c800a2a75cc94f05637ce1fde87691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a76af8c31a200cf051e85e07b431b1861"·id="r_a76af8c31a200cf051e85e07b431b1861"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a76af8c31a200cf051e85e07b431b1861">type</a></td></tr>101 <tr·class="memitem:a76af8c31a200cf051e85e07b431b1861"·id="r_a76af8c31a200cf051e85e07b431b1861"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/dc4/a03938.html#a7bdad74195e9c349954e351861e3f991">ContentType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html#a76af8c31a200cf051e85e07b431b1861">type</a></td></tr>
102 <tr·class="separator:a76af8c31a200cf051e85e07b431b1861"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a76af8c31a200cf051e85e07b431b1861"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock">105 <div·class="textblock">
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d1c/a01229_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../db/d1c/a01229_source.html">JCAMPFile.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="aae4a0dca0d04dbd5d12fcf7da1480ca8"·name="aae4a0dca0d04dbd5d12fcf7da1480ca8"></a>108 <a·id="aae4a0dca0d04dbd5d12fcf7da1480ca8"·name="aae4a0dca0d04dbd5d12fcf7da1480ca8"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aae4a0dca0d04dbd5d12fcf7da1480ca8">&#9670;&#160;</a></span>JCAMPValue()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aae4a0dca0d04dbd5d12fcf7da1480ca8">&#9670;&#160;</a></span>JCAMPValue()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 <table·class="mlabels">112 <table·class="mlabels">
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124 ··</td>124 ··</td>
125 ··<td·class="mlabels-right">125 ··<td·class="mlabels-right">
126 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>126 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
127 ··</tr>127 ··</tr>
128 </table>128 </table>
129 </div><div·class="memdoc">129 </div><div·class="memdoc">
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d1c/a01229_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../db/d1c/a01229_source.html">JCAMPFile.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
131 </div>131 </div>
132 </div>132 </div>
133 <h2·class="groupheader">Member·Function·Documentation</h2>133 <h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a396bf5a557aa768cd6e2e8d9caf6b1c1"·name="a396bf5a557aa768cd6e2e8d9caf6b1c1"></a>134 <a·id="a396bf5a557aa768cd6e2e8d9caf6b1c1"·name="a396bf5a557aa768cd6e2e8d9caf6b1c1"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a396bf5a557aa768cd6e2e8d9caf6b1c1">&#9670;&#160;</a></span>operator!=()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a396bf5a557aa768cd6e2e8d9caf6b1c1">&#9670;&#160;</a></span>operator!=()</h2>
  
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178 ······<table·class="memname">178 ······<table·class="memname">
179 ········<tr>179 ········<tr>
180 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::JCAMPFile::JCAMPValue::numeric_value</td>180 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::JCAMPFile::JCAMPValue::numeric_value</td>
181 ········</tr>181 ········</tr>
182 ······</table>182 ······</table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d1c/a01229_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../db/d1c/a01229_source.html">JCAMPFile.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 <a·id="abe59ebe3a423fbb238b8f43f484c6228"·name="abe59ebe3a423fbb238b8f43f484c6228"></a>187 <a·id="abe59ebe3a423fbb238b8f43f484c6228"·name="abe59ebe3a423fbb238b8f43f484c6228"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#abe59ebe3a423fbb238b8f43f484c6228">&#9670;&#160;</a></span>string_value</h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#abe59ebe3a423fbb238b8f43f484c6228">&#9670;&#160;</a></span>string_value</h2>
  
189 <div·class="memitem">189 <div·class="memitem">
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195 ········<tr>195 ········<tr>
196 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::JCAMPFile::JCAMPValue::string_value</td>196 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::JCAMPFile::JCAMPValue::string_value</td>
197 ········</tr>197 ········</tr>
198 ······</table>198 ······</table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d1c/a01229_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../db/d1c/a01229_source.html">JCAMPFile.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 <a·id="a76af8c31a200cf051e85e07b431b1861"·name="a76af8c31a200cf051e85e07b431b1861"></a>203 <a·id="a76af8c31a200cf051e85e07b431b1861"·name="a76af8c31a200cf051e85e07b431b1861"></a>
204 <h2·class="memtitle"><span·class="permalink"><a·href="#a76af8c31a200cf051e85e07b431b1861">&#9670;&#160;</a></span>type</h2>204 <h2·class="memtitle"><span·class="permalink"><a·href="#a76af8c31a200cf051e85e07b431b1861">&#9670;&#160;</a></span>type</h2>
  
205 <div·class="memitem">205 <div·class="memitem">
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215 </div><div·class="memdoc">215 </div><div·class="memdoc">
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d1c/a01229_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../db/d1c/a01229_source.html">JCAMPFile.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">JCAMPFile.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d6/df9/a06826.html#details">More...</a></p>83 ·<a·href="../../d6/df9/a06826.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a8daa794235dd2800e43c0b15c182b729"·id="r_a8daa794235dd2800e43c0b15c182b729"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a8daa794235dd2800e43c0b15c182b729">BONDLENGTHS_FILENAME</a></td></tr>88 <tr·class="memitem:a8daa794235dd2800e43c0b15c182b729"·id="r_a8daa794235dd2800e43c0b15c182b729"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a8daa794235dd2800e43c0b15c182b729">BONDLENGTHS_FILENAME</a></td></tr>
89 <tr·class="separator:a8daa794235dd2800e43c0b15c182b729"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a8daa794235dd2800e43c0b15c182b729"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aefbe50505c49459fa99f6d031fb58091"·id="r_aefbe50505c49459fa99f6d031fb58091"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#aefbe50505c49459fa99f6d031fb58091">DELETE_EXISTING_BONDS</a></td></tr>90 <tr·class="memitem:aefbe50505c49459fa99f6d031fb58091"·id="r_aefbe50505c49459fa99f6d031fb58091"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#aefbe50505c49459fa99f6d031fb58091">DELETE_EXISTING_BONDS</a></td></tr>
91 <tr·class="separator:aefbe50505c49459fa99f6d031fb58091"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aefbe50505c49459fa99f6d031fb58091"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="separator:a738ec8819b8ddf313aff4a4671dcab0f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a738ec8819b8ddf313aff4a4671dcab0f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:a73b33d8239a1e4b1c4fa5f4b204b0e6c"·id="r_a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a73b33d8239a1e4b1c4fa5f4b204b0e6c">DELETE_OVERESTIMATED_BONDS</a></td></tr>96 <tr·class="memitem:a73b33d8239a1e4b1c4fa5f4b204b0e6c"·id="r_a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html#a73b33d8239a1e4b1c4fa5f4b204b0e6c">DELETE_OVERESTIMATED_BONDS</a></td></tr>
97 <tr·class="separator:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a73b33d8239a1e4b1c4fa5f4b204b0e6c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.·</p>100 <div·class="textblock"><p><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
102 </div><h2·class="groupheader">Member·Data·Documentation</h2>102 </div><h2·class="groupheader">Member·Data·Documentation</h2>
103 <a·id="a8daa794235dd2800e43c0b15c182b729"·name="a8daa794235dd2800e43c0b15c182b729"></a>103 <a·id="a8daa794235dd2800e43c0b15c182b729"·name="a8daa794235dd2800e43c0b15c182b729"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a8daa794235dd2800e43c0b15c182b729">&#9670;&#160;</a></span>BONDLENGTHS_FILENAME</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#a8daa794235dd2800e43c0b15c182b729">&#9670;&#160;</a></span>BONDLENGTHS_FILENAME</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 <table·class="mlabels">107 <table·class="mlabels">
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118 ··<td·class="mlabels-right">118 ··<td·class="mlabels-right">
119 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>119 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
120 ··</tr>120 ··</tr>
121 </table>121 </table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
123 <p>Name·to·the·file·where·the·bonds·lengths,·max·and·min·bond·lengths·are·stored·in.·</p>123 <p>Name·to·the·file·where·the·bonds·lengths,·max·and·min·bond·lengths·are·stored·in.·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
127 <a·id="aefbe50505c49459fa99f6d031fb58091"·name="aefbe50505c49459fa99f6d031fb58091"></a>127 <a·id="aefbe50505c49459fa99f6d031fb58091"·name="aefbe50505c49459fa99f6d031fb58091"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#aefbe50505c49459fa99f6d031fb58091">&#9670;&#160;</a></span>DELETE_EXISTING_BONDS</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#aefbe50505c49459fa99f6d031fb58091">&#9670;&#160;</a></span>DELETE_EXISTING_BONDS</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
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143 ··<td·class="mlabels-right">143 ··<td·class="mlabels-right">
144 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>144 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
145 ··</tr>145 ··</tr>
146 </table>146 </table>
147 </div><div·class="memdoc">147 </div><div·class="memdoc">
148 <p>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·</p>148 <p>If·true,·the·existing·bonds·are·deleted·before·bonds·detection·begins.·If·the·atoms·are·in·non-bond·distance·no·bonds·will·be·build!·Note·that·the·processor·cannot·rebuild·inter-atomcontainer·bonds,·that·will·cause·problem·using·it·with·proteins.·</p>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
150 </div>150 </div>
151 </div>151 </div>
152 <a·id="a73b33d8239a1e4b1c4fa5f4b204b0e6c"·name="a73b33d8239a1e4b1c4fa5f4b204b0e6c"></a>152 <a·id="a73b33d8239a1e4b1c4fa5f4b204b0e6c"·name="a73b33d8239a1e4b1c4fa5f4b204b0e6c"></a>
153 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b33d8239a1e4b1c4fa5f4b204b0e6c">&#9670;&#160;</a></span>DELETE_OVERESTIMATED_BONDS</h2>153 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b33d8239a1e4b1c4fa5f4b204b0e6c">&#9670;&#160;</a></span>DELETE_OVERESTIMATED_BONDS</h2>
  
154 <div·class="memitem">154 <div·class="memitem">
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168 ··<td·class="mlabels-right">168 ··<td·class="mlabels-right">
169 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>169 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
170 ··</tr>170 ··</tr>
171 </table>171 </table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
173 <p>If·this·option·is·set·to·true·an·additional·cleaning·step·is·performed.·Overpredicted·bonds·like·at·multiple·bonds·at·hydrogen·or·halogens·are·deleted,·only·the·shortest·bond·will·stay.·</p>173 <p>If·this·option·is·set·to·true·an·additional·cleaning·step·is·performed.·Overpredicted·bonds·like·at·multiple·bonds·at·hydrogen·or·halogens·are·deleted,·only·the·shortest·bond·will·stay.·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 <a·id="a738ec8819b8ddf313aff4a4671dcab0f"·name="a738ec8819b8ddf313aff4a4671dcab0f"></a>177 <a·id="a738ec8819b8ddf313aff4a4671dcab0f"·name="a738ec8819b8ddf313aff4a4671dcab0f"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a738ec8819b8ddf313aff4a4671dcab0f">&#9670;&#160;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a738ec8819b8ddf313aff4a4671dcab0f">&#9670;&#160;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
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193 ··<td·class="mlabels-right">193 ··<td·class="mlabels-right">
194 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>194 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
195 ··</tr>195 ··</tr>
196 </table>196 </table>
197 </div><div·class="memdoc">197 </div><div·class="memdoc">
198 <p>If·this·option·is·set·to·true,·the·molecule·will·be·reprocessed.·In·this·step·the·processor·tries·to·correct·the·somtimes·wrong·orders·of·aromatic·rings.·</p>198 <p>If·this·option·is·set·to·true,·the·molecule·will·be·reprocessed.·In·this·step·the·processor·tries·to·correct·the·somtimes·wrong·orders·of·aromatic·rings.·</p>
  
199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>199 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
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201 </div>201 </div>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/da8/a20377_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d9/dd4/a00776_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/RSFace.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../dc/d31/a01892_source.html">BALL/STRUCTURE/RSVertex.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;set&gt;</code><br·/> 
94 <code>#include·&lt;list&gt;</code><br·/> 
95 <code>#include·&lt;deque&gt;</code><br·/> 
96 <code>#include·&lt;vector&gt;</code><br·/> 
97 </div>83 </div>
98 <p><a·href="../../d6/dfc/a01814_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d6/dfc/a01814_source.html">Go·to·the·source·code·of·this·file.</a></p>
99 <table·class="memberdecls">85 <table·class="memberdecls">
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
101 Classes</h2></td></tr>87 Classes</h2></td></tr>
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d0a/a07046.html">BALL::SortedPosition2</a></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de3/a07050.html">BALL::SortedPosition3</a></td></tr> 
105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d78/a07054.html">boost::hash&lt;·BALL::SortedPosition2·&gt;</a></td></tr> 
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d67/a07058.html">boost::hash&lt;·BALL::SortedPosition3·&gt;</a></td></tr> 
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
110 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d0e/a07062.html">BALL::ReducedSurface</a></td></tr> 
111 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
112 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d41/a07066.html">BALL::RSComputer</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html">BALL::RDFIntegrator</a></td></tr>
113 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
114 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db4/a07070.html">BALL::RSComputer::ProbePosition</a></td></tr> 
115 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
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118 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
119 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
120 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 <tr·class="memitem:d6/d41/a02222"·id="r_d6/d41/a02222"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d41/a02222.html">boost</a></td></tr> 
122 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
123 </table><table·class="memberdecls"> 
124 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
125 Functions</h2></td></tr> 
126 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
127 <tr·class="memitem:gaca69434d5f43c5036e2a24dba4b7e94e"·id="r_gaca69434d5f43c5036e2a24dba4b7e94e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaca69434d5f43c5036e2a24dba4b7e94e">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d6/d0e/a07062.html">ReducedSurface</a>·&amp;rs)</td></tr> 
128 <tr·class="separator:gaca69434d5f43c5036e2a24dba4b7e94e"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
129 </table>95 </table>
130 </div><!--·contents·-->96 </div><!--·contents·-->
131 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
132 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
133 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
134 </small></address>100 </small></address>
135 </body>101 </body>
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EnergyMinimizerThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EnergyMinimizerThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Thread·for·EnergyMinimization.··83 <p>Thread·for·EnergyMinimization.··
84 ·<a·href="../../d6/dfc/a08002.html#details">More...</a></p>84 ·<a·href="../../d6/dfc/a08002.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::EnergyMinimizerThread:</div>87 Inheritance·diagram·for·BALL::VIEW::EnergyMinimizerThread:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d6/dfc/a08002.png"·usemap="#BALL::VIEW::EnergyMinimizerThread_map"·alt=""/>90 ··<img·src="../../d6/dfc/a08002.png"·usemap="#BALL::VIEW::EnergyMinimizerThread_map"·alt=""/>
91 ··<map·id="BALL::VIEW::EnergyMinimizerThread_map"·name="BALL::VIEW::EnergyMinimizerThread_map">91 ··<map·id="BALL::VIEW::EnergyMinimizerThread_map"·name="BALL::VIEW::EnergyMinimizerThread_map">
92 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,221,136"/>92 <area·href="../../df/d00/a07998.html"·alt="BALL::VIEW::SimulationThread"·shape="rect"·coords="0,112,221,136"/>
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160 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>160 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
161 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>161 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
162 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>162 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
163 </table>163 </table>
164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p>Thread·for·EnergyMinimization.·</p>165 <div·class="textblock"><p>Thread·for·EnergyMinimization.·</p>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>167 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
168 <a·id="ae590149b083fb761a2dd667fdb5bd7ad"·name="ae590149b083fb761a2dd667fdb5bd7ad"></a>168 <a·id="ae590149b083fb761a2dd667fdb5bd7ad"·name="ae590149b083fb761a2dd667fdb5bd7ad"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#ae590149b083fb761a2dd667fdb5bd7ad">&#9670;&#160;</a></span>EnergyMinimizerThread()</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#ae590149b083fb761a2dd667fdb5bd7ad">&#9670;&#160;</a></span>EnergyMinimizerThread()</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
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272 ··</td>272 ··</td>
273 ··<td·class="mlabels-right">273 ··<td·class="mlabels-right">
274 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>274 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
275 ··</tr>275 ··</tr>
276 </table>276 </table>
277 </div><div·class="memdoc">277 </div><div·class="memdoc">
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
281 </div><!--·contents·-->281 </div><!--·contents·-->
282 <!--·start·footer·part·-->282 <!--·start·footer·part·-->
283 <hr·class="footer"/><address·class="footer"><small>283 <hr·class="footer"/><address·class="footer"><small>
284 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8284 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d82/a04567.html">List·of·all·members</a>··</div>78 <a·href="../../db/d82/a04567.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDBAtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDBAtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/KERNEL/PDBAtomIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9e/a00569_source.html">BALL/KERNEL/PDBAtomIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::PDBAtomIteratorTraits:</div>84 Inheritance·diagram·for·BALL::PDBAtomIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d6/dfd/a04570.png"·usemap="#BALL::PDBAtomIteratorTraits_map"·alt=""/>87 ··<img·src="../../d6/dfd/a04570.png"·usemap="#BALL::PDBAtomIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::PDBAtomIteratorTraits_map"·name="BALL::PDBAtomIteratorTraits_map">88 ··<map·id="BALL::PDBAtomIteratorTraits_map"·name="BALL::PDBAtomIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Traits·class·for·the·PDBAtomIterator.·</p>196 <div·class="textblock"><p>Traits·class·for·the·PDBAtomIterator.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/db7/a00812_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d8/db7/a00812_source.html">PDBAtomIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9e/a00569_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d9e/a00569_source.html">PDBAtomIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="ae3e7ca857578a5ccc4bcc969fccab0d5"·name="ae3e7ca857578a5ccc4bcc969fccab0d5"></a>199 <a·id="ae3e7ca857578a5ccc4bcc969fccab0d5"·name="ae3e7ca857578a5ccc4bcc969fccab0d5"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7ca857578a5ccc4bcc969fccab0d5">&#9670;&#160;</a></span>PDBAtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7ca857578a5ccc4bcc969fccab0d5">&#9670;&#160;</a></span>PDBAtomIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">ballAndStickModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pcrModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../da/dee/a00383_source.html">BALL/QSAR/rrModel.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/MODELS/ballAndStickModel.iC&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../d7/d00/a00401_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d7/d00/a00401_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 85 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
84 <code>#include·&lt;vector&gt;</code><br·/>86 <code>#include·&lt;vector&gt;</code><br·/>
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86 <p><a·href="../../d7/d02/a01808_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d7/d02/a01808_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">90 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>92 Classes</h2></td></tr>
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 94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·hydrogen·bonds·from·topology·information.··<a·href="../../d1/d96/a06918.html#details">More...</a><br·/></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dbb/a06934.html">BALL::HBondProcessor::PredictionMethod</a></td></tr>
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 106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 107 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d02/a06938.html">BALL::HBondProcessor::ResidueData</a></td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>112 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SDWidget::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d7/d03/a08538.html#details">More...</a></p>83 ·<a·href="../../d7/d03/a08538.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/VIEW/WIDGETS/SDWidget.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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92 <div·class="textblock"><p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.·</p>
  
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95 <a·id="a17deb08837d327b75760c62e80700414"·name="a17deb08837d327b75760c62e80700414"></a>95 <a·id="a17deb08837d327b75760c62e80700414"·name="a17deb08837d327b75760c62e80700414"></a>
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114 ··</tr>114 ··</tr>
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117 <p>show·hydrogen·atoms.·</p>117 <p>show·hydrogen·atoms.·</p>
  
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/STRUCTURE/atomTyper.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>87 </div>
83 <p><a·href="../../d7/d06/a00131_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d7/d06/a00131_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">89 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>100 Namespaces</h2></td></tr>
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78 <a·href="../../d2/db0/a04227.html">List·of·all·members</a>··</div>78 <a·href="../../d2/db0/a04227.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordHYDBND::HydrogenPartnerAtom·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordHYDBND::HydrogenPartnerAtom·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a664c49c54d5e53aaf434d52a53c87684"·id="r_a664c49c54d5e53aaf434d52a53c87684"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a664c49c54d5e53aaf434d52a53c87684">atom_name</a></td></tr>86 <tr·class="memitem:a664c49c54d5e53aaf434d52a53c87684"·id="r_a664c49c54d5e53aaf434d52a53c87684"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a664c49c54d5e53aaf434d52a53c87684">atom_name</a></td></tr>
87 <tr·class="separator:a664c49c54d5e53aaf434d52a53c87684"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a664c49c54d5e53aaf434d52a53c87684"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a29882b6c181d0cbd8f841567e26c2c5b"·id="r_a29882b6c181d0cbd8f841567e26c2c5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a29882b6c181d0cbd8f841567e26c2c5b">alternate_location_indicator</a></td></tr>88 <tr·class="memitem:a29882b6c181d0cbd8f841567e26c2c5b"·id="r_a29882b6c181d0cbd8f841567e26c2c5b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#a29882b6c181d0cbd8f841567e26c2c5b">alternate_location_indicator</a></td></tr>
89 <tr·class="separator:a29882b6c181d0cbd8f841567e26c2c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a29882b6c181d0cbd8f841567e26c2c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:af4a7662b9fb260c2bfc6a28c2c0c09f0"·id="r_af4a7662b9fb260c2bfc6a28c2c0c09f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#af4a7662b9fb260c2bfc6a28c2c0c09f0">residue</a></td></tr>90 <tr·class="memitem:af4a7662b9fb260c2bfc6a28c2c0c09f0"·id="r_af4a7662b9fb260c2bfc6a28c2c0c09f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0a/a04230.html#af4a7662b9fb260c2bfc6a28c2c0c09f0">residue</a></td></tr>
91 <tr·class="separator:af4a7662b9fb260c2bfc6a28c2c0c09f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:af4a7662b9fb260c2bfc6a28c2c0c09f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00754">754</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00754">754</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a29882b6c181d0cbd8f841567e26c2c5b"·name="a29882b6c181d0cbd8f841567e26c2c5b"></a>97 <a·id="a29882b6c181d0cbd8f841567e26c2c5b"·name="a29882b6c181d0cbd8f841567e26c2c5b"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a29882b6c181d0cbd8f841567e26c2c5b">&#9670;&#160;</a></span>alternate_location_indicator</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a29882b6c181d0cbd8f841567e26c2c5b">&#9670;&#160;</a></span>alternate_location_indicator</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::alternate_location_indicator</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#aa56256be31288b3037d75d301a0d743f">Character</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::alternate_location_indicator</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00757">757</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00757">757</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a664c49c54d5e53aaf434d52a53c87684"·name="a664c49c54d5e53aaf434d52a53c87684"></a>110 <a·id="a664c49c54d5e53aaf434d52a53c87684"·name="a664c49c54d5e53aaf434d52a53c87684"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a664c49c54d5e53aaf434d52a53c87684">&#9670;&#160;</a></span>atom_name</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a664c49c54d5e53aaf434d52a53c87684">&#9670;&#160;</a></span>atom_name</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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119 ······<table·class="memname">119 ······<table·class="memname">
120 ········<tr>120 ········<tr>
121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::atom_name</td>121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::atom_name</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00756">756</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00756">756</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="af4a7662b9fb260c2bfc6a28c2c0c09f0"·name="af4a7662b9fb260c2bfc6a28c2c0c09f0"></a>128 <a·id="af4a7662b9fb260c2bfc6a28c2c0c09f0"·name="af4a7662b9fb260c2bfc6a28c2c0c09f0"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#af4a7662b9fb260c2bfc6a28c2c0c09f0">&#9670;&#160;</a></span>residue</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#af4a7662b9fb260c2bfc6a28c2c0c09f0">&#9670;&#160;</a></span>residue</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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135 ······<table·class="memname">135 ······<table·class="memname">
136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::residue</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>·BALL::PDB::RecordHYDBND::HydrogenPartnerAtom::residue</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00758">758</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00758">758</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/d6d/a04635.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d6d/a04635.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Selector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Selector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/KERNEL/selector.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0f/a00494_source.html">BALL/KERNEL/selector.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Selector:</div>83 Inheritance·diagram·for·BALL::Selector:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/d0f/a04638.png"·usemap="#BALL::Selector_map"·alt=""/>86 ··<img·src="../../d7/d0f/a04638.png"·usemap="#BALL::Selector_map"·alt=""/>
87 ··<map·id="BALL::Selector_map"·name="BALL::Selector_map">87 ··<map·id="BALL::Selector_map"·name="BALL::Selector_map">
88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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155 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>155 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
156 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock"><p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Selection·from·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·</p><dl·class="section·user"><dt></dt><dd>This·class·takes·a·string·that·represents·an·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·It·can·then·be·applied·to·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·and·will·select·all·atoms·matching·the·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·Refer·to·the·documentation·of·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·for·a·list·of·available·predicates.</dd></dl>159 <div·class="textblock"><p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Selection·from·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·</p><dl·class="section·user"><dt></dt><dd>This·class·takes·a·string·that·represents·an·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·It·can·then·be·applied·to·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·and·will·select·all·atoms·matching·the·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>.·Refer·to·the·documentation·of·<a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·for·a·list·of·available·predicates.</dd></dl>
160 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>160 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·</dd></dl>
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">selector.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>162 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
163 <a·id="a8e37f8baf5758a668a1aac90760694cc"·name="a8e37f8baf5758a668a1aac90760694cc"></a>163 <a·id="a8e37f8baf5758a668a1aac90760694cc"·name="a8e37f8baf5758a668a1aac90760694cc"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e37f8baf5758a668a1aac90760694cc">&#9670;&#160;</a></span>Selector()·<span·class="overload">[1/3]</span></h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a8e37f8baf5758a668a1aac90760694cc">&#9670;&#160;</a></span>Selector()·<span·class="overload">[1/3]</span></h2>
  
165 <div·class="memitem">165 <div·class="memitem">
166 <div·class="memproto">166 <div·class="memproto">
167 ······<table·class="memname">167 ······<table·class="memname">
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455 ··</td>455 ··</td>
456 ··<td·class="mlabels-right">456 ··<td·class="mlabels-right">
457 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>457 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
458 ··</tr>458 ··</tr>
459 </table>459 </table>
460 </div><div·class="memdoc">460 </div><div·class="memdoc">
  
461 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">selector.h</a>.</p>461 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
  
462 </div>462 </div>
463 </div>463 </div>
464 <a·id="a2c677b036d7014b03af30cee63478c8e"·name="a2c677b036d7014b03af30cee63478c8e"></a>464 <a·id="a2c677b036d7014b03af30cee63478c8e"·name="a2c677b036d7014b03af30cee63478c8e"></a>
465 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c677b036d7014b03af30cee63478c8e">&#9670;&#160;</a></span>selected_atoms_</h2>465 <h2·class="memtitle"><span·class="permalink"><a·href="#a2c677b036d7014b03af30cee63478c8e">&#9670;&#160;</a></span>selected_atoms_</h2>
  
466 <div·class="memitem">466 <div·class="memitem">
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479 ··</td>479 ··</td>
480 ··<td·class="mlabels-right">480 ··<td·class="mlabels-right">
481 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>481 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
482 ··</tr>482 ··</tr>
483 </table>483 </table>
484 </div><div·class="memdoc">484 </div><div·class="memdoc">
  
485 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/daf/a00830_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d9/daf/a00830_source.html">selector.h</a>.</p>485 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0f/a00494_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d5/d0f/a00494_source.html">selector.h</a>.</p>
  
486 </div>486 </div>
487 </div>487 </div>
488 </div><!--·contents·-->488 </div><!--·contents·-->
489 <!--·start·footer·part·-->489 <!--·start·footer·part·-->
490 <hr·class="footer"/><address·class="footer"><small>490 <hr·class="footer"/><address·class="footer"><small>
491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8491 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 ··<div·class="headertitle"><div·class="title">ringPerceptionProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">HMOFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/simpleMolecularGraph.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
84 <code>#include·&lt;stack&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../d7/d12/a00911_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/d12/a00911_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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8 <title>BALL:·rescoring4D.h·File·Reference</title>8 <title>BALL:·fragmentationalSolvation.h·File·Reference</title>
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78 ··<div·class="headertitle"><div·class="title">rescoring4D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">fragmentationalSolvation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/db2/a02036_source.html">BALL/SCORING/FUNCTIONS/rescoring3D.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/df7/a20389_source.html">BALL/SCORING/COMPONENTS/solvation.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../d7/d13/a02045_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d13/a02045_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>86 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d30/a06434.html">BALL::Rescoring4D</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d41/a06270.html">BALL::FragmentationalSolvation</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <a·href="../../d0/da2/a03163.html">List·of·all·members</a>··</div>78 <a·href="../../d0/da2/a03163.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::FormatUnsupported·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::FormatUnsupported·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d19/a03166.png"·usemap="#BALL::Exception::FormatUnsupported_map"·alt=""/>87 ··<img·src="../../d7/d19/a03166.png"·usemap="#BALL::Exception::FormatUnsupported_map"·alt=""/>
88 ··<map·id="BALL::Exception::FormatUnsupported_map"·name="BALL::Exception::FormatUnsupported_map">88 ··<map·id="BALL::Exception::FormatUnsupported_map"·name="BALL::Exception::FormatUnsupported_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>BufferedRenderer·error·An·unsuported·format·was·requested·from·<a·class="el"·href="../../">BufferedRenderer</a>·via·<code>setFrameBufferFormat</code>.·</p>143 <div·class="textblock"><p>BufferedRenderer·error·An·unsuported·format·was·requested·from·<a·class="el"·href="../../">BufferedRenderer</a>·via·<code>setFrameBufferFormat</code>.·</p>
  
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 136 </div><div·class="memdoc">
 137 <b>Value:</b><div·class="fragment"><div·class="line">······this-&gt;channels[(i)]·=·v;················\</div>
 138 <div·class="line">······if·(v.id·!=·ChannelFormat::NO_CHANNEL)··\</div>
 139 <div·class="line">········++numChannels</div>
 140 </div><!--·fragment·-->
 141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1d/a01475_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d7/d1d/a01475_source.html">pixelFormat.h</a>.</p>
  
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 143 </div>
97 </div><!--·contents·-->144 </div><!--·contents·-->
98 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
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100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d7/d62/a04379.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d62/a04379.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::AtomEntry·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::AtomEntry·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:aa0d570653b773080bd4f3cb1db21cfc2"·id="r_aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa0d570653b773080bd4f3cb1db21cfc2">AtomEntry</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>·&amp;a)</td></tr>87 <tr·class="memitem:aa0d570653b773080bd4f3cb1db21cfc2"·id="r_aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa0d570653b773080bd4f3cb1db21cfc2">AtomEntry</a>·(const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>·&amp;a)</td></tr>
88 <tr·class="separator:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:aa0d570653b773080bd4f3cb1db21cfc2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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97 <tr·class="memitem:aa3d1813a93cdfa7c75331693a57099a8"·id="r_aa3d1813a93cdfa7c75331693a57099a8"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa3d1813a93cdfa7c75331693a57099a8">sec_struct</a></td></tr>97 <tr·class="memitem:aa3d1813a93cdfa7c75331693a57099a8"·id="r_aa3d1813a93cdfa7c75331693a57099a8"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#aa3d1813a93cdfa7c75331693a57099a8">sec_struct</a></td></tr>
98 <tr·class="separator:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:aa3d1813a93cdfa7c75331693a57099a8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a63cc126ff232b5d3e39f50564d1aeb80"·id="r_a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#a63cc126ff232b5d3e39f50564d1aeb80">chain</a></td></tr>99 <tr·class="memitem:a63cc126ff232b5d3e39f50564d1aeb80"·id="r_a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d1e/a04382.html#a63cc126ff232b5d3e39f50564d1aeb80">chain</a></td></tr>
100 <tr·class="separator:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a63cc126ff232b5d3e39f50564d1aeb80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01247">1247</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01247">1247</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="aa0d570653b773080bd4f3cb1db21cfc2"·name="aa0d570653b773080bd4f3cb1db21cfc2"></a>106 <a·id="aa0d570653b773080bd4f3cb1db21cfc2"·name="aa0d570653b773080bd4f3cb1db21cfc2"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d570653b773080bd4f3cb1db21cfc2">&#9670;&#160;</a></span>AtomEntry()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0d570653b773080bd4f3cb1db21cfc2">&#9670;&#160;</a></span>AtomEntry()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
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123 ··</td>123 ··</td>
124 ··<td·class="mlabels-right">124 ··<td·class="mlabels-right">
125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
126 ··</tr>126 ··</tr>
127 </table>127 </table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01253">1253</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01253">1253</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <h2·class="groupheader">Member·Data·Documentation</h2>132 <h2·class="groupheader">Member·Data·Documentation</h2>
133 <a·id="ae0137a3f7a0e5f2f33ab6ebd88be9732"·name="ae0137a3f7a0e5f2f33ab6ebd88be9732"></a>133 <a·id="ae0137a3f7a0e5f2f33ab6ebd88be9732"·name="ae0137a3f7a0e5f2f33ab6ebd88be9732"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0137a3f7a0e5f2f33ab6ebd88be9732">&#9670;&#160;</a></span>atom</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#ae0137a3f7a0e5f2f33ab6ebd88be9732">&#9670;&#160;</a></span>atom</h2>
  
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140 ······<table·class="memname">140 ······<table·class="memname">
141 ········<tr>141 ········<tr>
142 ··········<td·class="memname">const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>*·BALL::PDB::Structure::AtomEntry::atom</td>142 ··········<td·class="memname">const·<a·class="el"·href="../../dd/d3c/a04466.html">BALL::Atom</a>*·BALL::PDB::Structure::AtomEntry::atom</td>
143 ········</tr>143 ········</tr>
144 ······</table>144 ······</table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01249">1249</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01249">1249</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
147 </div>147 </div>
148 </div>148 </div>
149 <a·id="a63cc126ff232b5d3e39f50564d1aeb80"·name="a63cc126ff232b5d3e39f50564d1aeb80"></a>149 <a·id="a63cc126ff232b5d3e39f50564d1aeb80"·name="a63cc126ff232b5d3e39f50564d1aeb80"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc126ff232b5d3e39f50564d1aeb80">&#9670;&#160;</a></span>chain</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a63cc126ff232b5d3e39f50564d1aeb80">&#9670;&#160;</a></span>chain</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
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156 ······<table·class="memname">156 ······<table·class="memname">
157 ········<tr>157 ········<tr>
158 ··········<td·class="memname">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>*·BALL::PDB::Structure::AtomEntry::chain</td>158 ··········<td·class="memname">const·<a·class="el"·href="../../d4/d22/a04494.html">BALL::Chain</a>*·BALL::PDB::Structure::AtomEntry::chain</td>
159 ········</tr>159 ········</tr>
160 ······</table>160 ······</table>
161 </div><div·class="memdoc">161 </div><div·class="memdoc">
  
162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01252">1252</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>162 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01252">1252</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
163 </div>163 </div>
164 </div>164 </div>
165 <a·id="a3270ca17c11e885ab1000113fdc1f2b3"·name="a3270ca17c11e885ab1000113fdc1f2b3"></a>165 <a·id="a3270ca17c11e885ab1000113fdc1f2b3"·name="a3270ca17c11e885ab1000113fdc1f2b3"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#a3270ca17c11e885ab1000113fdc1f2b3">&#9670;&#160;</a></span>residue</h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a3270ca17c11e885ab1000113fdc1f2b3">&#9670;&#160;</a></span>residue</h2>
  
167 <div·class="memitem">167 <div·class="memitem">
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172 ······<table·class="memname">172 ······<table·class="memname">
173 ········<tr>173 ········<tr>
174 ··········<td·class="memname">const·<a·class="el"·href="../../d3/d84/a04622.html">BALL::Residue</a>*·BALL::PDB::Structure::AtomEntry::residue</td>174 ··········<td·class="memname">const·<a·class="el"·href="../../d3/d84/a04622.html">BALL::Residue</a>*·BALL::PDB::Structure::AtomEntry::residue</td>
175 ········</tr>175 ········</tr>
176 ······</table>176 ······</table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
  
178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01250">1250</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>178 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01250">1250</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
179 </div>179 </div>
180 </div>180 </div>
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183 <div·class="memitem">183 <div·class="memitem">
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188 ······<table·class="memname">188 ······<table·class="memname">
189 ········<tr>189 ········<tr>
190 ··········<td·class="memname">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>*·BALL::PDB::Structure::AtomEntry::sec_struct</td>190 ··········<td·class="memname">const·<a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a>*·BALL::PDB::Structure::AtomEntry::sec_struct</td>
191 ········</tr>191 ········</tr>
192 ······</table>192 ······</table>
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84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/> 
85 <code>#include·&lt;map&gt;</code><br·/> 
86 <code>#include·&lt;boost/unordered_map.hpp&gt;</code><br·/> 
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88 <p><a·href="../../d7/d21/a00584_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d21/a00584_source.html">Go·to·the·source·code·of·this·file.</a></p>
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109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">shiftedLVMM.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">cartoonModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/de4/a01481_source.html">BALL/VIEW/MODELS/backboneModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d06/a01499_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d7/d22/a01514_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d22/a01514_source.html">Go·to·the·source·code·of·this·file.</a></p>
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81 <div·class="contents">81 <div·class="contents">
  
82 <p>Parser·state·(used·by·the·parser·itself)··82 <p>Parser·state·(used·by·the·parser·itself)··
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80 ··<div·class="headertitle"><div·class="title">BALL::MolecularInteractions·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::MolecularInteractions·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d93/a00875_source.html">BALL/KERNEL/molecularInteractions.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/deb/a00545_source.html">BALL/KERNEL/molecularInteractions.h</a>&gt;</code></p>
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144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·the·case·of·given·activity·values·&lt;0·or·activity·values·that·are·larger·than·the·number·of·properties·in·the·current·input·file·</p>145 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·the·case·of·given·activity·values·&lt;0·or·activity·values·that·are·larger·than·the·number·of·properties·in·the·current·input·file·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
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 103 <tr·class="memitem:ac12eecb6d809645acdac2851ef637736"·id="r_ac12eecb6d809645acdac2851ef637736"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac12eecb6d809645acdac2851ef637736">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;out,·const·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>·&amp;dock_res)··throw·()</td></tr>
 104 <tr·class="separator:ac12eecb6d809645acdac2851ef637736"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 <tr·class="memitem:a507f70edb35041dea4ac786e1c524893"·id="r_a507f70edb35041dea4ac786e1c524893"><td·class="memItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a507f70edb35041dea4ac786e1c524893">BALL::operator&gt;&gt;</a>·(std::istream·&amp;in,·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>·&amp;dock_res)··throw·()</td></tr>
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 107 </table>
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76 <hr·class="footer"/><address·class="footer"><small>110 <hr·class="footer"/><address·class="footer"><small>
77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8111 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/dd6/a04479.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dd6/a04479.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AtomIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AtomIteratorTraits:</div>84 Inheritance·diagram·for·BALL::AtomIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d2e/a04482.png"·usemap="#BALL::AtomIteratorTraits_map"·alt=""/>87 ··<img·src="../../d7/d2e/a04482.png"·usemap="#BALL::AtomIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::AtomIteratorTraits_map"·name="BALL::AtomIteratorTraits_map">88 ··<map·id="BALL::AtomIteratorTraits_map"·name="BALL::AtomIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Traits·class·for·the·AtomIterators·</p>196 <div·class="textblock"><p>Traits·class·for·the·AtomIterators·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
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222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
223 </div>223 </div>
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227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
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246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
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250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
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254 <h2·class="memtitle"><span·class="permalink"><a·href="#afdc073ea247a94bc6895b95520712673">&#9670;&#160;</a></span>AtomIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#afdc073ea247a94bc6895b95520712673">&#9670;&#160;</a></span>AtomIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
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274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>274 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
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301 ··</td>301 ··</td>
302 ··<td·class="mlabels-right">302 ··<td·class="mlabels-right">
303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>303 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
304 ··</tr>304 ··</tr>
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307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>307 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
308 </div>308 </div>
309 </div>309 </div>
310 <a·id="aa71a8148bd8b384ed748b349306c92fd"·name="aa71a8148bd8b384ed748b349306c92fd"></a>310 <a·id="aa71a8148bd8b384ed748b349306c92fd"·name="aa71a8148bd8b384ed748b349306c92fd"></a>
311 <h2·class="memtitle"><span·class="permalink"><a·href="#aa71a8148bd8b384ed748b349306c92fd">&#9670;&#160;</a></span>resetPredicate()</h2>311 <h2·class="memtitle"><span·class="permalink"><a·href="#aa71a8148bd8b384ed748b349306c92fd">&#9670;&#160;</a></span>resetPredicate()</h2>
  
312 <div·class="memitem">312 <div·class="memitem">
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328 ··</td>328 ··</td>
329 ··<td·class="mlabels-right">329 ··<td·class="mlabels-right">
330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>330 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
331 ··</tr>331 ··</tr>
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334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">atomIterator.h</a>.</p>334 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a00515_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../dc/d19/a00515_source.html">atomIterator.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../d7/d30/a06950.html#details">More...</a></p>83 ·<a·href="../../d7/d30/a06950.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a8d9c35926bb8dcc4e3e8744bd03c3f16"·id="r_a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>88 <tr·class="memitem:a8d9c35926bb8dcc4e3e8744bd03c3f16"·id="r_a8d9c35926bb8dcc4e3e8744bd03c3f16"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a8d9c35926bb8dcc4e3e8744bd03c3f16">ATOM_TYPE_SMARTS_FILENAME</a></td></tr>
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91 <tr·class="memitem:a7b136219fd87c0a4340f2e67402101db"·id="r_a7b136219fd87c0a4340f2e67402101db"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a7b136219fd87c0a4340f2e67402101db">ATOM_TYPE_FF_FILENAME</a></td></tr>91 <tr·class="memitem:a7b136219fd87c0a4340f2e67402101db"·id="r_a7b136219fd87c0a4340f2e67402101db"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#a7b136219fd87c0a4340f2e67402101db">ATOM_TYPE_FF_FILENAME</a></td></tr>
92 <tr·class="separator:a7b136219fd87c0a4340f2e67402101db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a7b136219fd87c0a4340f2e67402101db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:ae1d8833c5c5bdb7326066ed70bdc0288"·id="r_ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#ae1d8833c5c5bdb7326066ed70bdc0288">METHOD</a></td></tr>93 <tr·class="memitem:ae1d8833c5c5bdb7326066ed70bdc0288"·id="r_ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html#ae1d8833c5c5bdb7326066ed70bdc0288">METHOD</a></td></tr>
94 <tr·class="separator:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:ae1d8833c5c5bdb7326066ed70bdc0288"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>97 <div·class="textblock"><p><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
99 </div><h2·class="groupheader">Member·Data·Documentation</h2>99 </div><h2·class="groupheader">Member·Data·Documentation</h2>
100 <a·id="a7b136219fd87c0a4340f2e67402101db"·name="a7b136219fd87c0a4340f2e67402101db"></a>100 <a·id="a7b136219fd87c0a4340f2e67402101db"·name="a7b136219fd87c0a4340f2e67402101db"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b136219fd87c0a4340f2e67402101db">&#9670;&#160;</a></span>ATOM_TYPE_FF_FILENAME</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b136219fd87c0a4340f2e67402101db">&#9670;&#160;</a></span>ATOM_TYPE_FF_FILENAME</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 <table·class="mlabels">104 <table·class="mlabels">
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117 ··<td·class="mlabels-right">117 ··<td·class="mlabels-right">
118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>118 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
119 ··</tr>119 ··</tr>
120 </table>120 </table>
121 </div><div·class="memdoc">121 </div><div·class="memdoc">
122 <p>default·file·name·for·the·atom·types,·hybridisation·states,·and·bond·angles·(force·field·based)·</p>122 <p>default·file·name·for·the·atom·types,·hybridisation·states,·and·bond·angles·(force·field·based)·</p>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 <a·id="a8d9c35926bb8dcc4e3e8744bd03c3f16"·name="a8d9c35926bb8dcc4e3e8744bd03c3f16"></a>126 <a·id="a8d9c35926bb8dcc4e3e8744bd03c3f16"·name="a8d9c35926bb8dcc4e3e8744bd03c3f16"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d9c35926bb8dcc4e3e8744bd03c3f16">&#9670;&#160;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d9c35926bb8dcc4e3e8744bd03c3f16">&#9670;&#160;</a></span>ATOM_TYPE_SMARTS_FILENAME</h2>
  
128 <div·class="memitem">128 <div·class="memitem">
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143 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>143 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
144 ··</tr>144 ··</tr>
145 </table>145 </table>
146 </div><div·class="memdoc">146 </div><div·class="memdoc">
  
147 <p>default·file·name·for·the·atom·type·smarts·</p>147 <p>default·file·name·for·the·atom·type·smarts·</p>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
149 </div>149 </div>
150 </div>150 </div>
151 <a·id="ae1d8833c5c5bdb7326066ed70bdc0288"·name="ae1d8833c5c5bdb7326066ed70bdc0288"></a>151 <a·id="ae1d8833c5c5bdb7326066ed70bdc0288"·name="ae1d8833c5c5bdb7326066ed70bdc0288"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d8833c5c5bdb7326066ed70bdc0288">&#9670;&#160;</a></span>METHOD</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1d8833c5c5bdb7326066ed70bdc0288">&#9670;&#160;</a></span>METHOD</h2>
  
153 <div·class="memitem">153 <div·class="memitem">
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168 ··<td·class="mlabels-right">168 ··<td·class="mlabels-right">
169 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>169 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
170 ··</tr>170 ··</tr>
171 </table>171 </table>
172 </div><div·class="memdoc">172 </div><div·class="memdoc">
173 <p>this·option·is·set·to·<a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">HybridisationProcessor::Method::SMART_MATCHING</a>·by·default·</p>173 <p>this·option·is·set·to·<a·class="el"·href="../../d0/d1d/a06954.html#af522bf9a72e68d071d6d5ac9acb09a97">HybridisationProcessor::Method::SMART_MATCHING</a>·by·default·</p>
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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176 </div>176 </div>
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178 <!--·start·footer·part·-->178 <!--·start·footer·part·-->
179 <hr·class="footer"/><address·class="footer"><small>179 <hr·class="footer"/><address·class="footer"><small>
180 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8180 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d3/d9a/a04075.html">List·of·all·members</a>··</div>77 <a·href="../../d3/d9a/a04075.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Parameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Parameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Parameters:</div>83 Inheritance·diagram·for·BALL::Parameters:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/d34/a04078.png"·usemap="#BALL::Parameters_map"·alt=""/>86 ··<img·src="../../d7/d34/a04078.png"·usemap="#BALL::Parameters_map"·alt=""/>
87 ··<map·id="BALL::Parameters_map"·name="BALL::Parameters_map">87 ··<map·id="BALL::Parameters_map"·name="BALL::Parameters_map">
88 <area·href="../../dd/d9e/a05378.html"·alt="BALL::ForceFieldParameters"·shape="rect"·coords="0,56,175,80"/>88 <area·href="../../dd/d9e/a05378.html"·alt="BALL::ForceFieldParameters"·shape="rect"·coords="0,56,175,80"/>
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125 <tr·class="separator:a4374c0f370bfbea961456d456004560b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:a4374c0f370bfbea961456d456004560b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:a01cca53136b74eaa81429e8a91077eb1"·id="r_a01cca53136b74eaa81429e8a91077eb1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html#a01cca53136b74eaa81429e8a91077eb1">operator==</a>·(const·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·&amp;parameters)·const</td></tr>126 <tr·class="memitem:a01cca53136b74eaa81429e8a91077eb1"·id="r_a01cca53136b74eaa81429e8a91077eb1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html#a01cca53136b74eaa81429e8a91077eb1">operator==</a>·(const·<a·class="el"·href="../../d7/d34/a04078.html">Parameters</a>·&amp;parameters)·const</td></tr>
127 <tr·class="separator:a01cca53136b74eaa81429e8a91077eb1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:a01cca53136b74eaa81429e8a91077eb1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock"><p>General·Parameter·class.·This·class·is·intended·to·simplify·parameter·management·for·force·fields·or·other·stronlgy·parameterized·methods.·It·is·based·on·<a·class="el"·href="../../d1/d59/a03926.html">INIFile·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>130 <div·class="textblock"><p>General·Parameter·class.·This·class·is·intended·to·simplify·parameter·management·for·force·fields·or·other·stronlgy·parameterized·methods.·It·is·based·on·<a·class="el"·href="../../d1/d59/a03926.html">INIFile·</a>·.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd8/a01265_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../da/dd8/a01265_source.html">parameters.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">parameters.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a4104e0844fb5fdb752c96577b4a395c4"·name="a4104e0844fb5fdb752c96577b4a395c4"></a>133 <a·id="a4104e0844fb5fdb752c96577b4a395c4"·name="a4104e0844fb5fdb752c96577b4a395c4"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a4104e0844fb5fdb752c96577b4a395c4">&#9670;&#160;</a></span>Parameters()·<span·class="overload">[1/3]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a4104e0844fb5fdb752c96577b4a395c4">&#9670;&#160;</a></span>Parameters()·<span·class="overload">[1/3]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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399 ··</td>399 ··</td>
400 ··<td·class="mlabels-right">400 ··<td·class="mlabels-right">
401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
402 ··</tr>402 ··</tr>
403 </table>403 </table>
404 </div><div·class="memdoc">404 </div><div·class="memdoc">
  
405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd8/a01265_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../da/dd8/a01265_source.html">parameters.h</a>.</p>405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00115">115</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">parameters.h</a>.</p>
  
406 </div>406 </div>
407 </div>407 </div>
408 <a·id="a6c7cd034be16263647aafe90177e4f68"·name="a6c7cd034be16263647aafe90177e4f68"></a>408 <a·id="a6c7cd034be16263647aafe90177e4f68"·name="a6c7cd034be16263647aafe90177e4f68"></a>
409 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c7cd034be16263647aafe90177e4f68">&#9670;&#160;</a></span>valid_</h2>409 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c7cd034be16263647aafe90177e4f68">&#9670;&#160;</a></span>valid_</h2>
  
410 <div·class="memitem">410 <div·class="memitem">
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423 ··</td>423 ··</td>
424 ··<td·class="mlabels-right">424 ··<td·class="mlabels-right">
425 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>425 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
426 ··</tr>426 ··</tr>
427 </table>427 </table>
428 </div><div·class="memdoc">428 </div><div·class="memdoc">
  
429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd8/a01265_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../da/dd8/a01265_source.html">parameters.h</a>.</p>429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">parameters.h</a>.</p>
  
430 </div>430 </div>
431 </div>431 </div>
432 </div><!--·contents·-->432 </div><!--·contents·-->
433 <!--·start·footer·part·-->433 <!--·start·footer·part·-->
434 <hr·class="footer"/><address·class="footer"><small>434 <hr·class="footer"/><address·class="footer"><small>
435 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8435 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 ··<div·class="headertitle"><div·class="title">XDRPersistenceManager.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">box.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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83 <code>#include·&lt;rpc/xdr.h&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d7/d38/a01373_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d7/d38/a01373_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">gridedMM.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">nonpolarSolvation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/SCORING/COMPONENTS/electrostatic.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/dff/a01910_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SOLVATION/pair6_12InteractionEnergyProcessor.h</a>&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../d7/d38/a02054_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d7/d38/a02054_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
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72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
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79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/> 
82 </div> 
83 <p><a·href="../../d7/d3f/a00173_source.html">Go·to·the·source·code·of·this·file.</a></p> 
84 <table·class="memberdecls"> 
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90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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96 </table> 
97 </div><!--·contents·-->74 </div><!--·contents·-->
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79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LibsvmModel·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LibsvmModel·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2c/a00893_source.html">BALL/QSAR/libsvmModel.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/QSAR/libsvmModel.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
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275 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>275 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
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280 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>280 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
281 <div·class="textblock">281 <div·class="textblock">
282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2c/a00893_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d2c/a00893_source.html">libsvmModel.h</a>.</p>282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dc9/a00389_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/dc9/a00389_source.html">libsvmModel.h</a>.</p>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
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70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">representationManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">maths.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;QtCore/QCoreApplication&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 </div> 
87 <p><a·href="../../d7/d40/a00236_source.html">Go·to·the·source·code·of·this·file.</a></p> 
88 <table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
90 Classes</h2></td></tr> 
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93 </table><table·class="memberdecls"> 
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
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96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 <a·href="../../da/ddf/a08143.html">List·of·all·members</a>··</div>80 <a·href="../../da/ddf/a08143.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPluginHandler·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPluginHandler·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
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87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
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129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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284 ··</td>284 ··</td>
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292 </div>292 </div>
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294 <!--·start·footer·part·-->294 <!--·start·footer·part·-->
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94 ········<tr>94 ········<tr>
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101 </div>101 </div>
102 </div>102 </div>
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105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga73c09b993f6a16c37c9031b8aecb9175">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga73c09b993f6a16c37c9031b8aecb9175">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
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130 ········</tr>130 ········</tr>
131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
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134 <dl·class="section·user"><dt></dt><dd><code>((0·1·1.5)·0.4)</code>·</dd></dl>134 <dl·class="section·user"><dt></dt><dd><code>((0·1·1.5)·0.4)</code>·</dd></dl>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd4/a00776_source.html#l00286">286</a>·of·file·<a·class="el"·href="../../d9/dd4/a00776_source.html">sphere3.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a00293_source.html#l00286">286</a>·of·file·<a·class="el"·href="../../d6/d82/a00293_source.html">sphere3.h</a>.</p>
  
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 118 <tr·class="memitem:dd/d67/a02230"·id="r_dd/d67/a02230"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d67/a02230.html">BALL::QSAR::Exception</a></td></tr>
 119 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 120 </table>
74 </div><!--·contents·-->121 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d0/dca/a06175.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dca/a06175.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ScoringFunction::Result·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ScoringFunction::Result·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:adbefa533c88578cb934fa73fc92f1f0a"·id="r_adbefa533c88578cb934fa73fc92f1f0a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#adbefa533c88578cb934fa73fc92f1f0a">ligand_conformation</a></td></tr>86 <tr·class="memitem:adbefa533c88578cb934fa73fc92f1f0a"·id="r_adbefa533c88578cb934fa73fc92f1f0a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#adbefa533c88578cb934fa73fc92f1f0a">ligand_conformation</a></td></tr>
87 <tr·class="separator:adbefa533c88578cb934fa73fc92f1f0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:adbefa533c88578cb934fa73fc92f1f0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ad7cbd4af7685c4d6609228964e6cdeff"·id="r_ad7cbd4af7685c4d6609228964e6cdeff"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#ad7cbd4af7685c4d6609228964e6cdeff">interaction_score</a></td></tr>88 <tr·class="memitem:ad7cbd4af7685c4d6609228964e6cdeff"·id="r_ad7cbd4af7685c4d6609228964e6cdeff"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#ad7cbd4af7685c4d6609228964e6cdeff">interaction_score</a></td></tr>
89 <tr·class="separator:ad7cbd4af7685c4d6609228964e6cdeff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ad7cbd4af7685c4d6609228964e6cdeff"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:adbb049a30b91a87c622a603f43ecf262"·id="r_adbb049a30b91a87c622a603f43ecf262"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#adbb049a30b91a87c622a603f43ecf262">refArea_penalties</a></td></tr>90 <tr·class="memitem:adbb049a30b91a87c622a603f43ecf262"·id="r_adbb049a30b91a87c622a603f43ecf262"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d53/a06178.html#adbb049a30b91a87c622a603f43ecf262">refArea_penalties</a></td></tr>
91 <tr·class="separator:adbb049a30b91a87c622a603f43ecf262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:adbb049a30b91a87c622a603f43ecf262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">scoringFunction.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00464">464</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="ad7cbd4af7685c4d6609228964e6cdeff"·name="ad7cbd4af7685c4d6609228964e6cdeff"></a>97 <a·id="ad7cbd4af7685c4d6609228964e6cdeff"·name="ad7cbd4af7685c4d6609228964e6cdeff"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7cbd4af7685c4d6609228964e6cdeff">&#9670;&#160;</a></span>interaction_score</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7cbd4af7685c4d6609228964e6cdeff">&#9670;&#160;</a></span>interaction_score</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::interaction_score</td>103 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::interaction_score</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p>Score·for·interaction·between·ligand·and·receptor.·</p>107 <p>Score·for·interaction·between·ligand·and·receptor.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00474">474</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">scoringFunction.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00474">474</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
111 <a·id="adbefa533c88578cb934fa73fc92f1f0a"·name="adbefa533c88578cb934fa73fc92f1f0a"></a>111 <a·id="adbefa533c88578cb934fa73fc92f1f0a"·name="adbefa533c88578cb934fa73fc92f1f0a"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#adbefa533c88578cb934fa73fc92f1f0a">&#9670;&#160;</a></span>ligand_conformation</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#adbefa533c88578cb934fa73fc92f1f0a">&#9670;&#160;</a></span>ligand_conformation</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
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121 ········<tr>121 ········<tr>
122 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::ligand_conformation</td>122 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::ScoringFunction::Result::ligand_conformation</td>
123 ········</tr>123 ········</tr>
124 ······</table>124 ······</table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
126 <p>Score·for·the·conformation·of·the·current·ligand.·</p>126 <p>Score·for·the·conformation·of·the·current·ligand.·</p>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00469">469</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">scoringFunction.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00469">469</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="adbb049a30b91a87c622a603f43ecf262"·name="adbb049a30b91a87c622a603f43ecf262"></a>130 <a·id="adbb049a30b91a87c622a603f43ecf262"·name="adbb049a30b91a87c622a603f43ecf262"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#adbb049a30b91a87c622a603f43ecf262">&#9670;&#160;</a></span>refArea_penalties</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#adbb049a30b91a87c622a603f43ecf262">&#9670;&#160;</a></span>refArea_penalties</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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138 ········<tr>138 ········<tr>
139 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::ScoringFunction::Result::refArea_penalties</td>139 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::ScoringFunction::Result::refArea_penalties</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p>One·penalty·value·for·each·<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>.·</p>143 <p>One·penalty·value·for·each·<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00479">479</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">scoringFunction.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd7/a01970_source.html#l00479">479</a>·of·file·<a·class="el"·href="../../d5/dd7/a01970_source.html">scoringFunction.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 </div><!--·contents·-->147 </div><!--·contents·-->
148 <!--·start·footer·part·-->148 <!--·start·footer·part·-->
149 <hr·class="footer"/><address·class="footer"><small>149 <hr·class="footer"/><address·class="footer"><small>
150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/da5/a04663.html">List·of·all·members</a>··</div>78 <a·href="../../db/da5/a04663.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ResiduePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ResiduePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ResiduePredicate:</div>84 Inheritance·diagram·for·BALL::ResiduePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d54/a04666.png"·usemap="#BALL::ResiduePredicate_map"·alt=""/>87 ··<img·src="../../d7/d54/a04666.png"·usemap="#BALL::ResiduePredicate_map"·alt=""/>
88 ··<map·id="BALL::ResiduePredicate_map"·name="BALL::ResiduePredicate_map">88 ··<map·id="BALL::ResiduePredicate_map"·name="BALL::ResiduePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·residues.·Returns·<code>true</code>,·if·the·name·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·residues.·Returns·<code>true</code>,·if·the·name·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a8820845e97079abd76dfde4a61186396"·name="a8820845e97079abd76dfde4a61186396"></a>134 <a·id="a8820845e97079abd76dfde4a61186396"·name="a8820845e97079abd76dfde4a61186396"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a8820845e97079abd76dfde4a61186396">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a8820845e97079abd76dfde4a61186396">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/df4/a05747.html">List·of·all·members</a>··</div>77 <a·href="../../d6/df4/a05747.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LDAModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LDAModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d20/a00980_source.html">BALL/QSAR/ldaModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d8e/a00344_source.html">BALL/QSAR/ldaModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::LDAModel:</div>83 Inheritance·diagram·for·BALL::QSAR::LDAModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/d55/a05750.png"·usemap="#BALL::QSAR::LDAModel_map"·alt=""/>86 ··<img·src="../../d7/d55/a05750.png"·usemap="#BALL::QSAR::LDAModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::LDAModel_map"·name="BALL::QSAR::LDAModel_map">87 ··<map·id="BALL::QSAR::LDAModel_map"·name="BALL::QSAR::LDAModel_map">
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242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
245 </table>245 </table>
246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
247 <div·class="textblock"><p>class·for·support·vector·classification·</p>247 <div·class="textblock"><p>class·for·support·vector·classification·</p>
  
248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">ldaModel.h</a>.</p>248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d8e/a00344_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d8/d8e/a00344_source.html">ldaModel.h</a>.</p>
249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
250 <a·id="a528710d8df1da81dbf2d22f70012a751"·name="a528710d8df1da81dbf2d22f70012a751"></a>250 <a·id="a528710d8df1da81dbf2d22f70012a751"·name="a528710d8df1da81dbf2d22f70012a751"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#a528710d8df1da81dbf2d22f70012a751">&#9670;&#160;</a></span>LDAModel()</h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#a528710d8df1da81dbf2d22f70012a751">&#9670;&#160;</a></span>LDAModel()</h2>
  
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">partialChargeProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">compositeManager.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 <code>#include·&lt;utility&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d7/d59/a01013_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d59/a01013_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/db5/a05814.html">BALL::PartialChargeProcessor</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d6e/a07794.html">BALL::VIEW::CompositeManager</a></td></tr>
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94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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100 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#func-members">Functions</a>··</div>
78 ··<div·class="headertitle"><div·class="title">FDPBDialog.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">Model.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d9/d2e/a00056_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
88 <code>#include·&lt;BALL/VIEW/UIC/ui_FDPBDialog.h&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
 87 <code>#include·&lt;set&gt;</code><br·/>
 88 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
89 </div>89 </div>
90 <p><a·href="../../d7/d5e/a00467_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d7/d5e/a00467_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">91 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>93 Classes</h2></td></tr>
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
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98 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>101 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 103 </table><table·class="memberdecls">
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
84 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/> 
85 <code>#include·&lt;boost/graph/graph_traits.hpp&gt;</code><br·/> 
86 <code>#include·&lt;boost/graph/incremental_components.hpp&gt;</code><br·/> 
87 <code>#include·&lt;boost/thread/mutex.hpp&gt;</code><br·/> 
88 <code>#include·&lt;boost/thread/thread.hpp&gt;</code><br·/> 
89 <code>#include·&lt;boost/unordered_set.hpp&gt;</code><br·/> 
90 <code>#include·&lt;map&gt;</code><br·/> 
91 <code>#include·&lt;set&gt;</code><br·/> 
92 <code>#include·&lt;vector&gt;</code><br·/> 
93 </div>86 </div>
94 <p><a·href="../../d7/d62/a01805_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d7/d62/a01805_source.html">Go·to·the·source·code·of·this·file.</a></p>
95 <table·class="memberdecls">88 <table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
97 Classes</h2></td></tr>90 Classes</h2></td></tr>
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dce/a06658.html">BALL::BinaryFingerprintMethods</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d1a/a07302.html">BALL::TrianglePoint</a></td></tr>
99 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·class·provides·efficient·similarity·calculation·functionality·for·2D·binary·fingerprints.··<a·href="../../dc/dce/a06658.html#details">More...</a><br·/></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da1/a06662.html">BALL::BinaryFingerprintMethods::Option</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9c/a06666.html">BALL::BinaryFingerprintMethods::Default</a></td></tr> 
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
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108 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table><table·class="memberdecls">
 99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 100 Functions</h2></td></tr>
 101 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 102 <tr·class="memitem:gaf917a1bc7e685f7ecd8acd6f901cf8d7"·id="r_gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaf917a1bc7e685f7ecd8acd6f901cf8d7">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../da/d1a/a07302.html">TrianglePoint</a>·&amp;point)</td></tr>
 103 <tr·class="separator:gaf917a1bc7e685f7ecd8acd6f901cf8d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 </table>104 </table>
111 </div><!--·contents·-->105 </div><!--·contents·-->
112 <!--·start·footer·part·-->106 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>107 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d3d/a03515.html">List·of·all·members</a>··</div>78 <a·href="../../de/d3d/a03515.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::String·&gt;·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::String·&gt;·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
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87 <tr·class="separator:ae1717c4a85102067c912a120640635ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae1717c4a85102067c912a120640635ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
92 </div><h2·class="groupheader">Member·Function·Documentation</h2>92 </div><h2·class="groupheader">Member·Function·Documentation</h2>
93 <a·id="ae1717c4a85102067c912a120640635ab"·name="ae1717c4a85102067c912a120640635ab"></a>93 <a·id="ae1717c4a85102067c912a120640635ab"·name="ae1717c4a85102067c912a120640635ab"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1717c4a85102067c912a120640635ab">&#9670;&#160;</a></span>operator()()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#ae1717c4a85102067c912a120640635ab">&#9670;&#160;</a></span>operator()()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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111 ··</td>111 ··</td>
112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">hashMap.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d5b/a00695_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/d5b/a00695_source.html">hashMap.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d09/a03131.html">List·of·all·members</a>··</div>78 <a·href="../../db/d09/a03131.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::ParseError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::ParseError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::ParseError:</div>84 Inheritance·diagram·for·BALL::Exception::ParseError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d66/a03134.png"·usemap="#BALL::Exception::ParseError_map"·alt=""/>87 ··<img·src="../../d7/d66/a03134.png"·usemap="#BALL::Exception::ParseError_map"·alt=""/>
88 ··<map·id="BALL::Exception::ParseError_map"·name="BALL::Exception::ParseError_map">88 ··<map·id="BALL::Exception::ParseError_map"·name="BALL::Exception::ParseError_map">
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Parse·Error.·A·given·expression·could·not·be·parsed.·</p>143 <div·class="textblock"><p>Parse·Error.·A·given·expression·could·not·be·parsed.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00386">386</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ae7991ed785595db898248054b88a3490"·name="ae7991ed785595db898248054b88a3490"></a>146 <a·id="ae7991ed785595db898248054b88a3490"·name="ae7991ed785595db898248054b88a3490"></a>
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148 <div·class="memitem">148 <div·class="memitem">
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150 ······<table·class="memname">150 ······<table·class="memname">
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77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d1/d2f/a06715.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d2f/a06715.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Heuristic·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Heuristic·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a20c5a0822612636f59ed72a9ceeeb3bc"·id="r_a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a20c5a0822612636f59ed72a9ceeeb3bc">SIMPLE</a></td></tr>86 <tr·class="memitem:a20c5a0822612636f59ed72a9ceeeb3bc"·id="r_a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html#a20c5a0822612636f59ed72a9ceeeb3bc">SIMPLE</a></td></tr>
87 <tr·class="separator:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a20c5a0822612636f59ed72a9ceeeb3bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a6039d93445304edde8eef9edf045a9ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6039d93445304edde8eef9edf045a9ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="separator:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a93345ce65f6ca9dfab90f17b82dceedc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a6039d93445304edde8eef9edf045a9ae"·name="a6039d93445304edde8eef9edf045a9ae"></a>97 <a·id="a6039d93445304edde8eef9edf045a9ae"·name="a6039d93445304edde8eef9edf045a9ae"></a>
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
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121 <h2·class="memtitle"><span·class="permalink"><a·href="#a20c5a0822612636f59ed72a9ceeeb3bc">&#9670;&#160;</a></span>SIMPLE</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a20c5a0822612636f59ed72a9ceeeb3bc">&#9670;&#160;</a></span>SIMPLE</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
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141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 <a·id="a93345ce65f6ca9dfab90f17b82dceedc"·name="a93345ce65f6ca9dfab90f17b82dceedc"></a>144 <a·id="a93345ce65f6ca9dfab90f17b82dceedc"·name="a93345ce65f6ca9dfab90f17b82dceedc"></a>
145 <h2·class="memtitle"><span·class="permalink"><a·href="#a93345ce65f6ca9dfab90f17b82dceedc">&#9670;&#160;</a></span>TIGHT</h2>145 <h2·class="memtitle"><span·class="permalink"><a·href="#a93345ce65f6ca9dfab90f17b82dceedc">&#9670;&#160;</a></span>TIGHT</h2>
  
146 <div·class="memitem">146 <div·class="memitem">
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159 ··</td>159 ··</td>
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165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d4b/a05859.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d4b/a05859.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::RingProcessorException·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::RingProcessorException·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::RingProcessorException:</div>84 Inheritance·diagram·for·BALL::Exception::RingProcessorException:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d69/a05862.png"·usemap="#BALL::Exception::RingProcessorException_map"·alt=""/>87 ··<img·src="../../d7/d69/a05862.png"·usemap="#BALL::Exception::RingProcessorException_map"·alt=""/>
88 ··<map·id="BALL::Exception::RingProcessorException_map"·name="BALL::Exception::RingProcessorException_map">88 ··<map·id="BALL::Exception::RingProcessorException_map"·name="BALL::Exception::RingProcessorException_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a27ef3aca7be21c2275227d773522d7e4"·name="a27ef3aca7be21c2275227d773522d7e4"></a>146 <a·id="a27ef3aca7be21c2275227d773522d7e4"·name="a27ef3aca7be21c2275227d773522d7e4"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a27ef3aca7be21c2275227d773522d7e4">&#9670;&#160;</a></span>RingProcessorException()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a27ef3aca7be21c2275227d773522d7e4">&#9670;&#160;</a></span>RingProcessorException()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 </div><!--·contents·-->182 </div><!--·contents·-->
183 <!--·start·footer·part·-->183 <!--·start·footer·part·-->
184 <hr·class="footer"/><address·class="footer"><small>184 <hr·class="footer"/><address·class="footer"><small>
185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8185 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·ILPBondOrderStrategy.h·File·Reference</title>8 <title>BALL:·kekulizer.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">ILPBondOrderStrategy.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">kekulizer.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d0/d79/a01766_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;set&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../d7/d6d/a01769_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/d6d/a01769_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/de0/a06802.html">BALL::ILPBondOrderStrategy</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dad/a06966.html">BALL::Kekuliser</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
98 Typedefs</h2></td></tr> 
99 <tr·class="memitem:afe42f1373b9ee8d824b5cad6a22d24c6"·id="r_afe42f1373b9ee8d824b5cad6a22d24c6"><td·class="memItemLeft"·align="right"·valign="top">typedef·struct·_lprec&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6d/a01769.html#afe42f1373b9ee8d824b5cad6a22d24c6">lprec</a></td></tr> 
100 <tr·class="separator:afe42f1373b9ee8d824b5cad6a22d24c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>96 </table>
102 <h2·class="groupheader">Typedef·Documentation</h2> 
103 <a·id="afe42f1373b9ee8d824b5cad6a22d24c6"·name="afe42f1373b9ee8d824b5cad6a22d24c6"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#afe42f1373b9ee8d824b5cad6a22d24c6">&#9670;&#160;</a></span>lprec</h2> 
  
105 <div·class="memitem"> 
106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">typedef·struct·_lprec·<a·class="el"·href="../../d7/d6d/a01769.html#afe42f1373b9ee8d824b5cad6a22d24c6">lprec</a></td> 
110 ········</tr> 
111 ······</table> 
112 </div><div·class="memdoc"> 
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d6d/a01769_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../d7/d6d/a01769_source.html">ILPBondOrderStrategy.h</a>.</p> 
  
114 </div> 
115 </div> 
116 </div><!--·contents·-->97 </div><!--·contents·-->
117 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
118 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d7/d6d/a06746.html#details">More...</a></p>83 ·<a·href="../../d7/d6d/a06746.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a7ca6e420cf2e09776b9f446e57d7468c"·id="r_a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6d/a06746.html#a7ca6e420cf2e09776b9f446e57d7468c">UPPER_PENALTY_BOUND</a></td></tr>88 <tr·class="memitem:a7ca6e420cf2e09776b9f446e57d7468c"·id="r_a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d6d/a06746.html#a7ca6e420cf2e09776b9f446e57d7468c">UPPER_PENALTY_BOUND</a></td></tr>
89 <tr·class="separator:a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a7ca6e420cf2e09776b9f446e57d7468c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d7/d6d/a06746.html"·title="Option·names.">Option</a>·names.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a7ca6e420cf2e09776b9f446e57d7468c"·name="a7ca6e420cf2e09776b9f446e57d7468c"></a>95 <a·id="a7ca6e420cf2e09776b9f446e57d7468c"·name="a7ca6e420cf2e09776b9f446e57d7468c"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ca6e420cf2e09776b9f446e57d7468c">&#9670;&#160;</a></span>UPPER_PENALTY_BOUND</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ca6e420cf2e09776b9f446e57d7468c">&#9670;&#160;</a></span>UPPER_PENALTY_BOUND</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>117 <p>The·maximum·penalty·for·which·this·FPT·strategy·will·compute·solutions.·Setting·this·to·a·value·different·from·infinite_penalty·can·significantly·speed·up·the·computation.·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 </div><!--·contents·-->121 </div><!--·contents·-->
122 <!--·start·footer·part·-->122 <!--·start·footer·part·-->
123 <hr·class="footer"/><address·class="footer"><small>123 <hr·class="footer"/><address·class="footer"><small>
124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/d58/a05691.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d58/a05691.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::NoPCAVariance·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::NoPCAVariance·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::NoPCAVariance:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::NoPCAVariance:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/d70/a05694.png"·usemap="#BALL::QSAR::Exception::NoPCAVariance_map"·alt=""/>87 ··<img·src="../../d7/d70/a05694.png"·usemap="#BALL::QSAR::Exception::NoPCAVariance_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::NoPCAVariance_map"·name="BALL::QSAR::Exception::NoPCAVariance_map">88 ··<map·id="BALL::QSAR::Exception::NoPCAVariance_map"·name="BALL::QSAR::Exception::NoPCAVariance_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,245,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,245,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>No·variance·present·to·be·explained·by·PCA,·so·that·PCR·can·not·be·done·</p>143 <div·class="textblock"><p>No·variance·present·to·be·explained·by·PCA,·so·that·PCR·can·not·be·done·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a244f23a2184b2d2bae0b71ffac929f85"·name="a244f23a2184b2d2bae0b71ffac929f85"></a>146 <a·id="a244f23a2184b2d2bae0b71ffac929f85"·name="a244f23a2184b2d2bae0b71ffac929f85"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a244f23a2184b2d2bae0b71ffac929f85">&#9670;&#160;</a></span>NoPCAVariance()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a244f23a2184b2d2bae0b71ffac929f85">&#9670;&#160;</a></span>NoPCAVariance()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../df/d59/a04343.html">List·of·all·members</a>··</div>78 <a·href="../../df/d59/a04343.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSOURCE·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSOURCE·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a394fdd725818d00fd766534c9d3fcb33"·id="r_a394fdd725818d00fd766534c9d3fcb33"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a394fdd725818d00fd766534c9d3fcb33">record_type</a></td></tr>86 <tr·class="memitem:a394fdd725818d00fd766534c9d3fcb33"·id="r_a394fdd725818d00fd766534c9d3fcb33"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d74/a04346.html#a394fdd725818d00fd766534c9d3fcb33">record_type</a></td></tr>
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77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#define-members">Macros</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">simpleBox.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">parserDefinitions.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/> 
83 </div> 
84 <p><a·href="../../d7/d80/a00614_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../d7/d80/a00614_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">82 <table·class="memberdecls">
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92 Namespaces</h2></td></tr> 
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>89 Functions</h2></td></tr>
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 93 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 94 <a·id="ac0586b8b0b092d02f4ba7d45abe328f2"·name="ac0586b8b0b092d02f4ba7d45abe328f2"></a>
 95 <h2·class="memtitle"><span·class="permalink"><a·href="#ac0586b8b0b092d02f4ba7d45abe328f2">&#9670;&#160;</a></span>YY_FATAL_ERROR</h2>
  
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 97 <div·class="memproto">
 98 ······<table·class="memname">
 99 ········<tr>
 100 ··········<td·class="memname">#define·YY_FATAL_ERROR</td>
 101 ··········<td>(</td>
 102 ··········<td·class="paramtype">&#160;</td>
 103 ··········<td·class="paramname">msg</td><td>)</td>
 104 ··········<td>&#160;&#160;&#160;<a·class="el"·href="../../d7/d80/a00614.html#ad57ae49c79269c3691e9f62c55b731c2">ball_fatal_error</a>(·msg·)</td>
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 108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d80/a00614_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d7/d80/a00614_source.html">parserDefinitions.h</a>.</p>
  
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 110 </div>
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 112 <a·id="ad57ae49c79269c3691e9f62c55b731c2"·name="ad57ae49c79269c3691e9f62c55b731c2"></a>
 113 <h2·class="memtitle"><span·class="permalink"><a·href="#ad57ae49c79269c3691e9f62c55b731c2">&#9670;&#160;</a></span>ball_fatal_error()</h2>
  
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 118 ··<td·class="mlabels-left">
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 120 ········<tr>
 121 ··········<td·class="memname">static·void·ball_fatal_error·</td>
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 123 ··········<td·class="paramtype">yyconst·char·*&#160;</td>
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97 </table>132 </table>
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 134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d80/a00614_source.html#l00004">4</a>·of·file·<a·class="el"·href="../../d7/d80/a00614_source.html">parserDefinitions.h</a>.</p>
  
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_3f369278b07109369b05d5a815b63ef8.html">IMGDOCK</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">gradient.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">IMGDock.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01565_source.html">BALL/DOCKING/COMMON/dockingAlgorithm.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/>87 <code>#include·&lt;map&gt;</code><br·/>
84 </div>88 </div>
85 <p><a·href="../../d7/d82/a01601_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d7/d82/a01601_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">90 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a05082.html">BALL::Gradient</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d29/a03810.html">BALL::IMGDock</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de0/a03814.html">BALL::IMGDock::Option</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03818.html">BALL::IMGDock::Default</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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80 ··<div·class="headertitle"><div·class="title">BALL::DoubleParameter·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::DoubleParameter·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::DoubleParameter:</div>85 Inheritance·diagram·for·BALL::DoubleParameter:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d7/d82/a03774.png"·usemap="#BALL::DoubleParameter_map"·alt=""/>88 ··<img·src="../../d7/d82/a03774.png"·usemap="#BALL::DoubleParameter_map"·alt=""/>
89 ··<map·id="BALL::DoubleParameter_map"·name="BALL::DoubleParameter_map">89 ··<map·id="BALL::DoubleParameter_map"·name="BALL::DoubleParameter_map">
90 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,152,24"/>90 <area·href="../../d2/d33/a03770.html"·alt="BALL::GenericParameter"·shape="rect"·coords="0,0,152,24"/>
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123 Additional·Inherited·Members</h2></td></tr>123 Additional·Inherited·Members</h2></td></tr>
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125 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>125 <tr·class="memitem:a6723a926ebe945181678106eedb24317·inherit·pro_attribs_a03770"·id="r_a6723a926ebe945181678106eedb24317"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html#a6723a926ebe945181678106eedb24317">name_</a></td></tr>
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128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock">129 <div·class="textblock">
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="ab331ceda582241419615e88e868c019b"·name="ab331ceda582241419615e88e868c019b"></a>132 <a·id="ab331ceda582241419615e88e868c019b"·name="ab331ceda582241419615e88e868c019b"></a>
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134 <div·class="memitem">134 <div·class="memitem">
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223 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::DoubleParameter::values</td>223 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::DoubleParameter::values</td>
224 ········</tr>224 ········</tr>
225 ······</table>225 ······</table>
226 </div><div·class="memdoc">226 </div><div·class="memdoc">
227 <p>parameter·values·</p>227 <p>parameter·values·</p>
  
228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">parameter.h</a>.</p>228 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">parameter.h</a>.</p>
  
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230 </div>230 </div>
231 </div><!--·contents·-->231 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/da8/a07331.html">List·of·all·members</a>··</div>77 <a·href="../../dd/da8/a07331.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::UCK·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::UCK·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d0d/a01748_source.html">BALL/STRUCTURE/UCK.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/STRUCTURE/UCK.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Type·definitions</h2></td></tr>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Type·definitions</h2></td></tr>
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111 </table>111 </table>
112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
113 <div·class="textblock"><p>Unique·Chemical·Key.·Implements·the·<a·class="el"·href="../../d7/d82/a07334.html">UCK</a>·algorithm·for·computing·a·unique·key·for·a·given·chemical·structure.·</p>113 <div·class="textblock"><p>Unique·Chemical·Key.·Implements·the·<a·class="el"·href="../../d7/d82/a07334.html">UCK</a>·algorithm·for·computing·a·unique·key·for·a·given·chemical·structure.·</p>
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">UCK.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
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120 ······<table·class="memname">120 ······<table·class="memname">
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123 ········</tr>123 ········</tr>
124 ······</table>124 ······</table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">UCK.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <a·id="a228eb7519ec1201561a404bf4b318e9f"·name="a228eb7519ec1201561a404bf4b318e9f"></a>129 <a·id="a228eb7519ec1201561a404bf4b318e9f"·name="a228eb7519ec1201561a404bf4b318e9f"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a228eb7519ec1201561a404bf4b318e9f">&#9670;&#160;</a></span>SizeVector</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a228eb7519ec1201561a404bf4b318e9f">&#9670;&#160;</a></span>SizeVector</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
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138 ······<table·class="memname">138 ······<table·class="memname">
139 ········<tr>139 ········<tr>
140 ··········<td·class="memname">typedef·std::vector&lt;std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">BALL::UCK::SizeVector</a></td>140 ··········<td·class="memname">typedef·std::vector&lt;std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·&gt;·<a·class="el"·href="../../d7/d82/a07334.html#a228eb7519ec1201561a404bf4b318e9f">BALL::UCK::SizeVector</a></td>
141 ········</tr>141 ········</tr>
142 ······</table>142 ······</table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0d/a01748_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d0d/a01748_source.html">UCK.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db5/a01730_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/db5/a01730_source.html">UCK.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="a8dcbc6d85689a2fa108d9198ad8b5dac"·name="a8dcbc6d85689a2fa108d9198ad8b5dac"></a>148 <a·id="a8dcbc6d85689a2fa108d9198ad8b5dac"·name="a8dcbc6d85689a2fa108d9198ad8b5dac"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a8dcbc6d85689a2fa108d9198ad8b5dac">&#9670;&#160;</a></span>UCK()·<span·class="overload">[1/4]</span></h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a8dcbc6d85689a2fa108d9198ad8b5dac">&#9670;&#160;</a></span>UCK()·<span·class="overload">[1/4]</span></h2>
  
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">protein.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">parameterSection.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d7/d92/a00887_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/d92/a00887_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
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104 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d348a764c8578933e3a61a1a6122b4">&#9670;&#160;</a></span>BALL_PROTEIN_DEFAULT_ID</h2> 
  
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106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">#define·BALL_PROTEIN_DEFAULT_ID&#160;&#160;&#160;&quot;&quot;</td> 
110 ········</tr> 
111 ······</table> 
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113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d92/a00887_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d7/d92/a00887_source.html">protein.h</a>.</p> 
  
114 </div> 
115 </div> 
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80 <div·class="contents">80 <div·class="contents">
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80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d7/dce/a00143_source.html">BALL/VIEW/DATATYPE/colorUnitHue.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;iostream&gt;</code><br·/> 
86 <code>#include·&lt;cstdio&gt;</code><br·/> 
87 <code>#include·&lt;BALL/VIEW/DATATYPE/colorHSV.iC&gt;</code><br·/> 
88 </div>83 </div>
89 <p><a·href="../../d7/d9a/a00152_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d7/d9a/a00152_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">85 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d64/a07454.html">BALL::VIEW::ColorHSV</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d54/a05418.html">BALL::QuadraticBondStretch</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html">BALL::QuadraticBondStretch::Values</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html">BALL::QuadraticBondStretch::Data</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>99 </table>
103 </div><!--·contents·-->100 </div><!--·contents·-->
104 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
107 </small></address>104 </small></address>
108 </body>105 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../db/db8/a03471.html">List·of·all·members</a>··</div>79 <a·href="../../db/db8/a03471.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:afee4d64e9c22c458a232010176fe8340"·id="r_afee4d64e9c22c458a232010176fe8340"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#afee4d64e9c22c458a232010176fe8340">MinorMinWidthCriterion</a>·(UndirectedGraph·const·&amp;graph)</td></tr>87 <tr·class="memitem:afee4d64e9c22c458a232010176fe8340"·id="r_afee4d64e9c22c458a232010176fe8340"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#afee4d64e9c22c458a232010176fe8340">MinorMinWidthCriterion</a>·(UndirectedGraph·const·&amp;graph)</td></tr>
88 <tr·class="separator:afee4d64e9c22c458a232010176fe8340"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:afee4d64e9c22c458a232010176fe8340"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a5aa8fbb50635c43b3c9ef4281c2f8715"·id="r_a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a5aa8fbb50635c43b3c9ef4281c2f8715">operator()</a>·(<a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;vertex)·const</td></tr>89 <tr·class="memitem:a5aa8fbb50635c43b3c9ef4281c2f8715"·id="r_a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a5aa8fbb50635c43b3c9ef4281c2f8715">operator()</a>·(<a·class="el"·href="../../d1/d82/a03450.html#aebe8dceb082f270b5debac27024464a4">VertexType</a>·&amp;vertex)·const</td></tr>
90 <tr·class="separator:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a5aa8fbb50635c43b3c9ef4281c2f8715"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="memitem:a0f041a64c4731dfe3ace0bcff257091d"·id="r_a0f041a64c4731dfe3ace0bcff257091d"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a0f041a64c4731dfe3ace0bcff257091d">graph_</a></td></tr>95 <tr·class="memitem:a0f041a64c4731dfe3ace0bcff257091d"·id="r_a0f041a64c4731dfe3ace0bcff257091d"><td·class="memItemLeft"·align="right"·valign="top">UndirectedGraph·const··&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da0/a03474.html#a0f041a64c4731dfe3ace0bcff257091d">graph_</a></td></tr>
96 <tr·class="separator:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a0f041a64c4731dfe3ace0bcff257091d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>99 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
100 class·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion</div><p>search·for·a·vertex·with·minimum·degree·</p>100 class·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthCriterion</div><p>search·for·a·vertex·with·minimum·degree·</p>
  
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>102 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
103 <a·id="afee4d64e9c22c458a232010176fe8340"·name="afee4d64e9c22c458a232010176fe8340"></a>103 <a·id="afee4d64e9c22c458a232010176fe8340"·name="afee4d64e9c22c458a232010176fe8340"></a>
104 <h2·class="memtitle"><span·class="permalink"><a·href="#afee4d64e9c22c458a232010176fe8340">&#9670;&#160;</a></span>MinorMinWidthCriterion()</h2>104 <h2·class="memtitle"><span·class="permalink"><a·href="#afee4d64e9c22c458a232010176fe8340">&#9670;&#160;</a></span>MinorMinWidthCriterion()</h2>
  
105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
107 <div·class="memtemplate">107 <div·class="memtemplate">
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161 ··</td>161 ··</td>
162 ··<td·class="mlabels-right">162 ··<td·class="mlabels-right">
163 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>163 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
164 ··</tr>164 ··</tr>
165 </table>165 </table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
168 </div>168 </div>
169 </div>169 </div>
170 </div><!--·contents·-->170 </div><!--·contents·-->
171 <!--·start·footer·part·-->171 <!--·start·footer·part·-->
172 <hr·class="footer"/><address·class="footer"><small>172 <hr·class="footer"/><address·class="footer"><small>
173 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8173 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d2/df4/a08275.html">List·of·all·members</a>··</div>79 <a·href="../../d2/df4/a08275.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytracingRenderer·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span><div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytracingRenderer·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span><div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01460_source.html">BALL/VIEW/RENDERING/RENDERERS/raytracingRenderer.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::RaytracingRenderer:</div>85 Inheritance·diagram·for·BALL::VIEW::RaytracingRenderer:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d7/dac/a08278.png"·usemap="#BALL::VIEW::RaytracingRenderer_map"·alt=""/>88 ··<img·src="../../d7/dac/a08278.png"·usemap="#BALL::VIEW::RaytracingRenderer_map"·alt=""/>
89 ··<map·id="BALL::VIEW::RaytracingRenderer_map"·name="BALL::VIEW::RaytracingRenderer_map">89 ··<map·id="BALL::VIEW::RaytracingRenderer_map"·name="BALL::VIEW::RaytracingRenderer_map">
90 <area·href="../../d0/d0b/a08254.html"·alt="BALL::VIEW::BufferedRenderer"·shape="rect"·coords="110,56,321,80"/>90 <area·href="../../d0/d0b/a08254.html"·alt="BALL::VIEW::BufferedRenderer"·shape="rect"·coords="110,56,321,80"/>
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305 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"·id="r_aeb4683041444b3d15fdca7f2a5d5ec7b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>305 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"·id="r_aeb4683041444b3d15fdca7f2a5d5ec7b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>
306 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>306 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
307 </table>307 </table>
308 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>308 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
309 <div·class="textblock"><p><a·class="el"·href="../../d7/dac/a08278.html">RaytracingRenderer</a>·General·interface·for·renderer,·which·provides·raytracing·instead·of·regular·rendering.·<br··/>309 <div·class="textblock"><p><a·class="el"·href="../../d7/dac/a08278.html">RaytracingRenderer</a>·General·interface·for·renderer,·which·provides·raytracing·instead·of·regular·rendering.·<br··/>
310 ·</p>310 ·</p>
  
311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d35/a00266_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/d35/a00266_source.html">raytracingRenderer.h</a>.</p>311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d2f/a01460_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/d2f/a01460_source.html">raytracingRenderer.h</a>.</p>
312 </div><h2·class="groupheader">Member·Function·Documentation</h2>312 </div><h2·class="groupheader">Member·Function·Documentation</h2>
313 <a·id="ae16c9b95ce70ea82adae4a519b92a442"·name="ae16c9b95ce70ea82adae4a519b92a442"></a>313 <a·id="ae16c9b95ce70ea82adae4a519b92a442"·name="ae16c9b95ce70ea82adae4a519b92a442"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#ae16c9b95ce70ea82adae4a519b92a442">&#9670;&#160;</a></span>getRenderer()</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#ae16c9b95ce70ea82adae4a519b92a442">&#9670;&#160;</a></span>getRenderer()</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
316 <div·class="memproto">316 <div·class="memproto">
317 <table·class="mlabels">317 <table·class="mlabels">
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78 ··<div·class="headertitle"><div·class="title">BALL::SCWRLRotamerFile·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SCWRLRotamerFile·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p>Reads·Dunbrack/SCWRL·rotamer·library·files.··81 <p>Reads·Dunbrack/SCWRL·rotamer·library·files.··
82 ·<a·href="../../d7/dad/a04438.html#details">More...</a></p>82 ·<a·href="../../d7/dad/a04438.html#details">More...</a></p>
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d72/a01319_source.html">BALL/FORMAT/SCWRLRotamerFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/FORMAT/SCWRLRotamerFile.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::SCWRLRotamerFile:</div>85 Inheritance·diagram·for·BALL::SCWRLRotamerFile:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d7/dad/a04438.png"·usemap="#BALL::SCWRLRotamerFile_map"·alt=""/>88 ··<img·src="../../d7/dad/a04438.png"·usemap="#BALL::SCWRLRotamerFile_map"·alt=""/>
89 ··<map·id="BALL::SCWRLRotamerFile_map"·name="BALL::SCWRLRotamerFile_map">89 ··<map·id="BALL::SCWRLRotamerFile_map"·name="BALL::SCWRLRotamerFile_map">
90 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>90 <area·href="../../dc/d61/a03950.html"·alt="BALL::LineBasedFile"·shape="rect"·coords="90,392,260,416"/>
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355 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>355 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
356 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>356 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
357 </table>357 </table>
358 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>358 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
359 <div·class="textblock"><p>Reads·Dunbrack/SCWRL·rotamer·library·files.·</p>359 <div·class="textblock"><p>Reads·Dunbrack/SCWRL·rotamer·library·files.·</p>
360 <p>This·class·is·able·to·read·the·rotamer·library·files·from·Dunbrack·including·the·one·used·in·SCWRL3.0·.·It·decides·if·the·file·contains·backbone·dependent·or·backbone·independent·rotamers.·Currently·only·files·with·the·same·format·as·<b>bbdep02.May.lib</b>·or·<b>bbind02.May.lib</b>·are·supported.·</p>360 <p>This·class·is·able·to·read·the·rotamer·library·files·from·Dunbrack·including·the·one·used·in·SCWRL3.0·.·It·decides·if·the·file·contains·backbone·dependent·or·backbone·independent·rotamers.·Currently·only·files·with·the·same·format·as·<b>bbdep02.May.lib</b>·or·<b>bbind02.May.lib</b>·are·supported.·</p>
  
361 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">SCWRLRotamerFile.h</a>.</p>361 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">SCWRLRotamerFile.h</a>.</p>
362 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>362 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
363 <a·id="a244e021d7a9677648ccb492f0e3d615b"·name="a244e021d7a9677648ccb492f0e3d615b"></a>363 <a·id="a244e021d7a9677648ccb492f0e3d615b"·name="a244e021d7a9677648ccb492f0e3d615b"></a>
364 <h2·class="memtitle"><span·class="permalink"><a·href="#a244e021d7a9677648ccb492f0e3d615b">&#9670;&#160;</a></span>SCWRLRotamerFile()·<span·class="overload">[1/2]</span></h2>364 <h2·class="memtitle"><span·class="permalink"><a·href="#a244e021d7a9677648ccb492f0e3d615b">&#9670;&#160;</a></span>SCWRLRotamerFile()·<span·class="overload">[1/2]</span></h2>
  
365 <div·class="memitem">365 <div·class="memitem">
366 <div·class="memproto">366 <div·class="memproto">
367 ······<table·class="memname">367 ······<table·class="memname">
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8 <title>BALL:·conformationSet.h·File·Reference</title>8 <title>BALL:·molecularDynamicsDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">conformationSet.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularDynamicsDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_molecularDynamicsDialog.h&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/dad/a01616_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d0f/a01256_source.html">BALL/FORMAT/DCDFile.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 <code>#include·&lt;set&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d7/daf/a01169_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/daf/a01169_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d81/a03630.html">BALL::ConformationSet</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df8/a07658.html">BALL::VIEW::MolecularDynamicsDialog</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>98 </table>
100 </div><!--·contents·-->99 </div><!--·contents·-->
101 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
104 </small></address>103 </small></address>
105 </body>104 </body>
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94 ········<tr>94 ········<tr>
95 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/dd2/a04898.html">TSimpleBox3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga38e6a117169c12606e8f69ed11869c66">BALL::SimpleBox3</a></td>95 ··········<td·class="memname">typedef·<a·class="el"·href="../../da/dd2/a04898.html">TSimpleBox3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga38e6a117169c12606e8f69ed11869c66">BALL::SimpleBox3</a></td>
96 ········</tr>96 ········</tr>
97 ······</table>97 ······</table>
98 </div><div·class="memdoc">98 </div><div·class="memdoc">
99 <p>Default·three-dimensional·box·class·of·type·<b>·float</b>·</p>99 <p>Default·three-dimensional·box·class·of·type·<b>·float</b>·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">simpleBox3.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">simpleBox3.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <h2·class="groupheader">Function·Documentation</h2>103 <h2·class="groupheader">Function·Documentation</h2>
104 <a·id="ga1a143f5511b66cb6472ad8913046b8d3"·name="ga1a143f5511b66cb6472ad8913046b8d3"></a>104 <a·id="ga1a143f5511b66cb6472ad8913046b8d3"·name="ga1a143f5511b66cb6472ad8913046b8d3"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1a143f5511b66cb6472ad8913046b8d3">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1a143f5511b66cb6472ad8913046b8d3">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
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131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p>Output·Operator.·Writes·the·two·coordinates·of·the·box·to·an·output·stream.·The·vectors·are·enclosed·by·brackets.</p><dl·class="section·user"><dt></dt><dd><b>·Example</b>·</dd></dl>133 <p>Output·Operator.·Writes·the·two·coordinates·of·the·box·to·an·output·stream.·The·vectors·are·enclosed·by·brackets.</p><dl·class="section·user"><dt></dt><dd><b>·Example</b>·</dd></dl>
134 <dl·class="section·user"><dt></dt><dd><code>·((0·1·2)·(7.5·3.4·10))·</code></dd></dl>134 <dl·class="section·user"><dt></dt><dd><code>·((0·1·2)·(7.5·3.4·10))·</code></dd></dl>
135 <dl·class="section·user"><dt></dt><dd></dd></dl>135 <dl·class="section·user"><dt></dt><dd></dd></dl>
136 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>136 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">simpleBox3.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00606">606</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">simpleBox3.h</a>.</p>
  
138 </div>138 </div>
139 </div>139 </div>
140 <a·id="gaf05f8e30f4a2fdf07adc06e67fdaf9ef"·name="gaf05f8e30f4a2fdf07adc06e67fdaf9ef"></a>140 <a·id="gaf05f8e30f4a2fdf07adc06e67fdaf9ef"·name="gaf05f8e30f4a2fdf07adc06e67fdaf9ef"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf05f8e30f4a2fdf07adc06e67fdaf9ef">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf05f8e30f4a2fdf07adc06e67fdaf9ef">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
142 <div·class="memitem">142 <div·class="memitem">
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164 ··········<td>)</td>164 ··········<td>)</td>
165 ··········<td></td><td></td>165 ··········<td></td><td></td>
166 ········</tr>166 ········</tr>
167 ······</table>167 ······</table>
168 </div><div·class="memdoc">168 </div><div·class="memdoc">
169 <p>Input·operator.·Reads·in·two·objects·of·type·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·a·and·b·</p>169 <p>Input·operator.·Reads·in·two·objects·of·type·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·a·and·b·</p>
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00589">589</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">simpleBox3.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dd7/a00248_source.html#l00589">589</a>·of·file·<a·class="el"·href="../../dd/dd7/a00248_source.html">simpleBox3.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
173 </div><!--·contents·-->173 </div><!--·contents·-->
174 <!--·start·footer·part·-->174 <!--·start·footer·part·-->
175 <hr·class="footer"/><address·class="footer"><small>175 <hr·class="footer"/><address·class="footer"><small>
176 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8176 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/dc4/a07355.html">List·of·all·members</a>··</div>77 <a·href="../../d5/dc4/a07355.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::FileSystem·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::FileSystem·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
84 Public·Types</h2></td></tr>84 Public·Types</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Enums</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Enums</div></td></tr>
86 <tr·class="memitem:a4dc3702545236b749a207de098ba4a94"·id="r_a4dc3702545236b749a207de098ba4a94"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom">{·<a·class="el"·href="../../d7/daf/a07358.html#a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c">MAX_FILENAME_LENGTH</a>·=·25686 <tr·class="memitem:a4dc3702545236b749a207de098ba4a94"·id="r_a4dc3702545236b749a207de098ba4a94"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom">{·<a·class="el"·href="../../d7/daf/a07358.html#a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c">MAX_FILENAME_LENGTH</a>·=·256
87 ,·<a·class="el"·href="../../d7/daf/a07358.html#a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e">MAX_PATH_LENGTH</a>·=·BALL_PATH_MAX87 ,·<a·class="el"·href="../../d7/daf/a07358.html#a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e">MAX_PATH_LENGTH</a>·=·BALL_PATH_MAX
88 ·}</td></tr>88 ·}</td></tr>
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108 <tr·class="separator:a8c9bb238bc2121ad8e21b44a881d63a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a8c9bb238bc2121ad8e21b44a881d63a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 <tr·class="memitem:a5fadc0402da9984a47f14c49e123f74f"·id="r_a5fadc0402da9984a47f14c49e123f74f"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/daf/a07358.html#a5fadc0402da9984a47f14c49e123f74f">path</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>109 <tr·class="memitem:a5fadc0402da9984a47f14c49e123f74f"·id="r_a5fadc0402da9984a47f14c49e123f74f"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/daf/a07358.html#a5fadc0402da9984a47f14c49e123f74f">path</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;filename)</td></tr>
110 <tr·class="separator:a5fadc0402da9984a47f14c49e123f74f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:a5fadc0402da9984a47f14c49e123f74f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 </table>111 </table>
112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
113 <div·class="textblock"><p><a·class="el"·href="../../db/d42/a07350.html">File</a>·<a·class="el"·href="../../de/d04/a04774.html">System</a>·Class·This·class·is·a·wrapper·around·some·very·basic·properties·of·the·machine's·file·system·properties.·The·method·(·<a·class="el"·href="../../d7/daf/a07358.html#a4f7c22be91b6034e04d8e87d8467f2a0">canonizePath·</a>·)·is·mainly·used·by·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·to·obtain·a·unique·and·unambiguous·representation·of·a·path.·</p>113 <div·class="textblock"><p><a·class="el"·href="../../db/d42/a07350.html">File</a>·<a·class="el"·href="../../de/d04/a04774.html">System</a>·Class·This·class·is·a·wrapper·around·some·very·basic·properties·of·the·machine's·file·system·properties.·The·method·(·<a·class="el"·href="../../d7/daf/a07358.html#a4f7c22be91b6034e04d8e87d8467f2a0">canonizePath·</a>·)·is·mainly·used·by·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·to·obtain·a·unique·and·unambiguous·representation·of·a·path.·</p>
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">fileSystem.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
115 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>115 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
116 <a·id="a4dc3702545236b749a207de098ba4a94"·name="a4dc3702545236b749a207de098ba4a94"></a>116 <a·id="a4dc3702545236b749a207de098ba4a94"·name="a4dc3702545236b749a207de098ba4a94"></a>
117 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dc3702545236b749a207de098ba4a94">&#9670;&#160;</a></span>anonymous·enum</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#a4dc3702545236b749a207de098ba4a94">&#9670;&#160;</a></span>anonymous·enum</h2>
  
118 <div·class="memitem">118 <div·class="memitem">
119 <div·class="memproto">119 <div·class="memproto">
120 ······<table·class="memname">120 ······<table·class="memname">
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128 <table·class="fieldtable">128 <table·class="fieldtable">
129 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"·name="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"></a>MAX_FILENAME_LENGTH&#160;</td><td·class="fielddoc"><p>The·maximum·length·of·a·filename.·</p>129 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"·name="a4dc3702545236b749a207de098ba4a94ab45bc53a3d930c64aa7c84d39b8d9d6c"></a>MAX_FILENAME_LENGTH&#160;</td><td·class="fielddoc"><p>The·maximum·length·of·a·filename.·</p>
130 </td></tr>130 </td></tr>
131 <tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"·name="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"></a>MAX_PATH_LENGTH&#160;</td><td·class="fielddoc"><p>The·maximum·length·for·a·full·path.·</p>131 <tr><td·class="fieldname"><a·id="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"·name="a4dc3702545236b749a207de098ba4a94ac5f3f5be96182833a3f02ff949c7d94e"></a>MAX_PATH_LENGTH&#160;</td><td·class="fielddoc"><p>The·maximum·length·for·a·full·path.·</p>
132 </td></tr>132 </td></tr>
133 </table>133 </table>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">fileSystem.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
135 </div>135 </div>
136 </div>136 </div>
137 <h2·class="groupheader">Member·Function·Documentation</h2>137 <h2·class="groupheader">Member·Function·Documentation</h2>
138 <a·id="ae402d7e9736e6050c4333cfc275326cb"·name="ae402d7e9736e6050c4333cfc275326cb"></a>138 <a·id="ae402d7e9736e6050c4333cfc275326cb"·name="ae402d7e9736e6050c4333cfc275326cb"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#ae402d7e9736e6050c4333cfc275326cb">&#9670;&#160;</a></span>baseName()</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#ae402d7e9736e6050c4333cfc275326cb">&#9670;&#160;</a></span>baseName()</h2>
  
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263 ··<td·class="mlabels-right">263 ··<td·class="mlabels-right">
264 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>264 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
265 ··</tr>265 ··</tr>
266 </table>266 </table>
267 </div><div·class="memdoc">267 </div><div·class="memdoc">
268 <p>The·string·used·to·indicate·the·current·directory.·This·is·usually·<code>'.'</code>·</p>268 <p>The·string·used·to·indicate·the·current·directory.·This·is·usually·<code>'.'</code>·</p>
  
269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">fileSystem.h</a>.</p>269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
270 </div>270 </div>
271 </div>271 </div>
272 <a·id="a67359df77464d9424a2ad13bd62eb275"·name="a67359df77464d9424a2ad13bd62eb275"></a>272 <a·id="a67359df77464d9424a2ad13bd62eb275"·name="a67359df77464d9424a2ad13bd62eb275"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#a67359df77464d9424a2ad13bd62eb275">&#9670;&#160;</a></span>PARENT_DIRECTORY</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#a67359df77464d9424a2ad13bd62eb275">&#9670;&#160;</a></span>PARENT_DIRECTORY</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
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288 ··<td·class="mlabels-right">288 ··<td·class="mlabels-right">
289 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>289 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
290 ··</tr>290 ··</tr>
291 </table>291 </table>
292 </div><div·class="memdoc">292 </div><div·class="memdoc">
293 <p>The·string·indicating·the·parent·directory.·This·is·usually·<code>'..'</code>·</p>293 <p>The·string·indicating·the·parent·directory.·This·is·usually·<code>'..'</code>·</p>
  
294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">fileSystem.h</a>.</p>294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
295 </div>295 </div>
296 </div>296 </div>
297 <a·id="a69dd8d984e7e1a7f377e0e3226ae1bd4"·name="a69dd8d984e7e1a7f377e0e3226ae1bd4"></a>297 <a·id="a69dd8d984e7e1a7f377e0e3226ae1bd4"·name="a69dd8d984e7e1a7f377e0e3226ae1bd4"></a>
298 <h2·class="memtitle"><span·class="permalink"><a·href="#a69dd8d984e7e1a7f377e0e3226ae1bd4">&#9670;&#160;</a></span>PATH_SEPARATOR</h2>298 <h2·class="memtitle"><span·class="permalink"><a·href="#a69dd8d984e7e1a7f377e0e3226ae1bd4">&#9670;&#160;</a></span>PATH_SEPARATOR</h2>
  
299 <div·class="memitem">299 <div·class="memitem">
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313 ··<td·class="mlabels-right">313 ··<td·class="mlabels-right">
314 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>314 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
315 ··</tr>315 ··</tr>
316 </table>316 </table>
317 </div><div·class="memdoc">317 </div><div·class="memdoc">
318 <p>The·character·separating·directories·in·a·path.·This·is·usually·<code>'/'</code>.·</p>318 <p>The·character·separating·directories·in·a·path.·This·is·usually·<code>'/'</code>.·</p>
  
319 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">fileSystem.h</a>.</p>319 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de8/a00749_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d5/de8/a00749_source.html">fileSystem.h</a>.</p>
  
320 </div>320 </div>
321 </div>321 </div>
322 </div><!--·contents·-->322 </div><!--·contents·-->
323 <!--·start·footer·part·-->323 <!--·start·footer·part·-->
324 <hr·class="footer"/><address·class="footer"><small>324 <hr·class="footer"/><address·class="footer"><small>
325 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8325 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
⊟
3.46 KB
./usr/share/doc/libball1.5/html/BALL/d7/db0/a03466.html
    
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79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Generic·lower·bound·algorithm·on·graphs.··82 <p>Generic·lower·bound·algorithm·on·graphs.··
83 ·<a·href="../../d7/db0/a03466.html#details">More...</a></p>83 ·<a·href="../../d7/db0/a03466.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;:</div>86 Inheritance·diagram·for·BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::GeneralLowerBoundAlgorithm&lt;·Criterion,·Reducer·&gt;:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d7/db0/a03466.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·alt=""/>89 ··<img·src="../../d7/db0/a03466.png"·usemap="#BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·alt=""/>
90 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map">90 ··<map·id="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map"·name="BALL::TreeWidthImplementation_3C_20UndirectedGraph_20_3E::GeneralLowerBoundAlgorithm_3C_20Criterion_2C_20Reducer_20_3E_map">
91 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·Size·&gt;"·shape="rect"·coords="0,0,613,24"/>91 <area·href="../../d7/dbe/a03210.html"·alt="BALL::UnaryFunctor&lt;·UndirectedGraph,·Size·&gt;"·shape="rect"·coords="0,0,613,24"/>
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126 ····<tr><td·class="paramname">UndirectedGraph</td><td>the·graph·type·</td></tr>126 ····<tr><td·class="paramname">UndirectedGraph</td><td>the·graph·type·</td></tr>
127 ····<tr><td·class="paramname">Criterion</td><td>the·criterium·which·chooses·the·next·vertex·</td></tr>127 ····<tr><td·class="paramname">Criterion</td><td>the·criterium·which·chooses·the·next·vertex·</td></tr>
128 ····<tr><td·class="paramname">Reducer</td><td>the·reducer·which·removes·a·vertex·from·the·graph·to·reduce·it's·size·</td></tr>128 ····<tr><td·class="paramname">Reducer</td><td>the·reducer·which·removes·a·vertex·from·the·graph·to·reduce·it's·size·</td></tr>
129 ··</table>129 ··</table>
130 ··</dd>130 ··</dd>
131 </dl>131 </dl>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>133 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
134 <a·id="ab16e0a199a16f2035e0b91c114623469"·name="ab16e0a199a16f2035e0b91c114623469"></a>134 <a·id="ab16e0a199a16f2035e0b91c114623469"·name="ab16e0a199a16f2035e0b91c114623469"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#ab16e0a199a16f2035e0b91c114623469">&#9670;&#160;</a></span>GeneralLowerBoundAlgorithm()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#ab16e0a199a16f2035e0b91c114623469">&#9670;&#160;</a></span>GeneralLowerBoundAlgorithm()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <div·class="memtemplate">138 <div·class="memtemplate">
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155 ··</td>155 ··</td>
156 ··<td·class="mlabels-right">156 ··<td·class="mlabels-right">
157 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>157 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
158 ··</tr>158 ··</tr>
159 </table>159 </table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
  
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162 </div>162 </div>
163 </div>163 </div>
164 <h2·class="groupheader">Member·Function·Documentation</h2>164 <h2·class="groupheader">Member·Function·Documentation</h2>
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166 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cf696a7f77ed5855b66bbbabb07da24">&#9670;&#160;</a></span>operator()()</h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cf696a7f77ed5855b66bbbabb07da24">&#9670;&#160;</a></span>operator()()</h2>
  
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78 ··<div·class="headertitle"><div·class="title">gridVisualisation.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">residueIterator.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d7e/a00530_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/>
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84 <p><a·href="../../d7/db1/a00590_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/db1/a00590_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
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78 ··<div·class="headertitle"><div·class="title">rescoring3D.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">burialDepth.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d7/db2/a02036_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d7/db2/a02036_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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8 <title>BALL:·amberTorsion.h·File·Reference</title>8 <title>BALL:·rotateBond.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">amberTorsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rotateBond.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/> 
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 83 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
86 </div>84 </div>
87 <p><a·href="../../d7/db6/a01556_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/db6/a01556_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
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92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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100 </table><table·class="memberdecls"> 
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
102 Macros</h2></td></tr> 
103 <tr·class="memitem:a5c9b77f9707286e2c633ddb8ae8a6173"·id="r_a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a01556.html#a5c9b77f9707286e2c633ddb8ae8a6173">AMBER_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr> 
104 <tr·class="memdesc:a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<br·/></td></tr> 
105 <tr·class="separator:a5c9b77f9707286e2c633ddb8ae8a6173"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 </table>96 </table>
107 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
108 <a·id="a5c9b77f9707286e2c633ddb8ae8a6173"·name="a5c9b77f9707286e2c633ddb8ae8a6173"></a> 
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c9b77f9707286e2c633ddb8ae8a6173">&#9670;&#160;</a></span>AMBER_TORSIONS_ENABLED</h2> 
  
110 <div·class="memitem"> 
111 <div·class="memproto"> 
112 ······<table·class="memname"> 
113 ········<tr> 
114 ··········<td·class="memname">#define·AMBER_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td> 
115 ········</tr> 
116 ······</table> 
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118 <p>flag·to·enable·Torsions·</p> 
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db6/a01556_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d7/db6/a01556_source.html">amberTorsion.h</a>.</p> 
  
120 </div> 
121 </div> 
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79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../d7/db6/a06930.html#details">More...</a></p>83 ·<a·href="../../d7/db6/a06930.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a54951e04ab4819909929c11df855f75f"·id="r_a54951e04ab4819909929c11df855f75f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a06930.html#a54951e04ab4819909929c11df855f75f">PREDICTION_METHOD</a></td></tr>88 <tr·class="memitem:a54951e04ab4819909929c11df855f75f"·id="r_a54951e04ab4819909929c11df855f75f"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a06930.html#a54951e04ab4819909929c11df855f75f">PREDICTION_METHOD</a></td></tr>
89 <tr·class="separator:a54951e04ab4819909929c11df855f75f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a54951e04ab4819909929c11df855f75f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="separator:aa807d873bdfef0a9c6dfb921f1ae2680"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa807d873bdfef0a9c6dfb921f1ae2680"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:ad1b259a27aa0e4148590328f914816be"·id="r_ad1b259a27aa0e4148590328f914816be"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a06930.html#ad1b259a27aa0e4148590328f914816be">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>92 <tr·class="memitem:ad1b259a27aa0e4148590328f914816be"·id="r_ad1b259a27aa0e4148590328f914816be"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db6/a06930.html#ad1b259a27aa0e4148590328f914816be">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>
93 <tr·class="separator:ad1b259a27aa0e4148590328f914816be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ad1b259a27aa0e4148590328f914816be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>96 <div·class="textblock"><p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
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98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="aa807d873bdfef0a9c6dfb921f1ae2680"·name="aa807d873bdfef0a9c6dfb921f1ae2680"></a>99 <a·id="aa807d873bdfef0a9c6dfb921f1ae2680"·name="aa807d873bdfef0a9c6dfb921f1ae2680"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#aa807d873bdfef0a9c6dfb921f1ae2680">&#9670;&#160;</a></span>ADD_HBONDS</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#aa807d873bdfef0a9c6dfb921f1ae2680">&#9670;&#160;</a></span>ADD_HBONDS</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
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115 ··</td>115 ··</td>
116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
  
121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>121 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
122 </div>122 </div>
123 </div>123 </div>
124 <a·id="ad1b259a27aa0e4148590328f914816be"·name="ad1b259a27aa0e4148590328f914816be"></a>124 <a·id="ad1b259a27aa0e4148590328f914816be"·name="ad1b259a27aa0e4148590328f914816be"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1b259a27aa0e4148590328f914816be">&#9670;&#160;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1b259a27aa0e4148590328f914816be">&#9670;&#160;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
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139 ··</td>139 ··</td>
140 ··<td·class="mlabels-right">140 ··<td·class="mlabels-right">
141 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>141 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
142 ··</tr>142 ··</tr>
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145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <a·id="a54951e04ab4819909929c11df855f75f"·name="a54951e04ab4819909929c11df855f75f"></a>148 <a·id="a54951e04ab4819909929c11df855f75f"·name="a54951e04ab4819909929c11df855f75f"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a54951e04ab4819909929c11df855f75f">&#9670;&#160;</a></span>PREDICTION_METHOD</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a54951e04ab4819909929c11df855f75f">&#9670;&#160;</a></span>PREDICTION_METHOD</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
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163 ··</td>163 ··</td>
164 ··<td·class="mlabels-right">164 ··<td·class="mlabels-right">
165 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>165 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
166 ··</tr>166 ··</tr>
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171 </div>171 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/dbc/a05759.html">List·of·all·members</a>··</div>77 <a·href="../../d8/dbc/a05759.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LinearModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LinearModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::LinearModel:</div>83 Inheritance·diagram·for·BALL::QSAR::LinearModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/db7/a05762.png"·usemap="#BALL::QSAR::LinearModel_map"·alt=""/>86 ··<img·src="../../d7/db7/a05762.png"·usemap="#BALL::QSAR::LinearModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::LinearModel_map"·name="BALL::QSAR::LinearModel_map">87 ··<map·id="BALL::QSAR::LinearModel_map"·name="BALL::QSAR::LinearModel_map">
88 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="198,56,386,80"/>88 <area·href="../../dd/d9e/a05838.html"·alt="BALL::QSAR::RegressionModel"·shape="rect"·coords="198,56,386,80"/>
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241 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>241 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>242 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>243 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>244 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
245 </table>245 </table>
246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>246 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
247 <div·class="textblock">247 <div·class="textblock">
248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">linearModel.h</a>.</p>248 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d27/a00392_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d4/d27/a00392_source.html">linearModel.h</a>.</p>
249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>249 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
250 <a·id="ae39f93f35e3655f4a6fa25cca69e31fa"·name="ae39f93f35e3655f4a6fa25cca69e31fa"></a>250 <a·id="ae39f93f35e3655f4a6fa25cca69e31fa"·name="ae39f93f35e3655f4a6fa25cca69e31fa"></a>
251 <h2·class="memtitle"><span·class="permalink"><a·href="#ae39f93f35e3655f4a6fa25cca69e31fa">&#9670;&#160;</a></span>LinearModel()</h2>251 <h2·class="memtitle"><span·class="permalink"><a·href="#ae39f93f35e3655f4a6fa25cca69e31fa">&#9670;&#160;</a></span>LinearModel()</h2>
  
252 <div·class="memitem">252 <div·class="memitem">
253 <div·class="memproto">253 <div·class="memproto">
254 ······<table·class="memname">254 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/de9/a06791.html">List·of·all·members</a>··</div>78 <a·href="../../df/de9/a06791.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPBackTracking_::StateComparator_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPBackTracking_::StateComparator_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:adc78b1c31a65068f21111cd211a539cb"·id="r_adc78b1c31a65068f21111cd211a539cb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db8/a06794.html#adc78b1c31a65068f21111cd211a539cb">operator()</a>·(<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*left,·<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*right)·const</td></tr>86 <tr·class="memitem:adc78b1c31a65068f21111cd211a539cb"·id="r_adc78b1c31a65068f21111cd211a539cb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db8/a06794.html#adc78b1c31a65068f21111cd211a539cb">operator()</a>·(<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*left,·<a·class="el"·href="../../d4/d17/a06786.html">BackTrackingState_</a>·const·*right)·const</td></tr>
87 <tr·class="separator:adc78b1c31a65068f21111cd211a539cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:adc78b1c31a65068f21111cd211a539cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p>Defines·the·Min-order·for·BackTrackingState-pointer·instances·in·the·queue·</p>90 <div·class="textblock"><p>Defines·the·Min-order·for·BackTrackingState-pointer·instances·in·the·queue·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l01067">1067</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l01067">1067</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
92 </div><h2·class="groupheader">Member·Function·Documentation</h2>92 </div><h2·class="groupheader">Member·Function·Documentation</h2>
93 <a·id="adc78b1c31a65068f21111cd211a539cb"·name="adc78b1c31a65068f21111cd211a539cb"></a>93 <a·id="adc78b1c31a65068f21111cd211a539cb"·name="adc78b1c31a65068f21111cd211a539cb"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#adc78b1c31a65068f21111cd211a539cb">&#9670;&#160;</a></span>operator()()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#adc78b1c31a65068f21111cd211a539cb">&#9670;&#160;</a></span>operator()()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/dec/a04499.html">List·of·all·members</a>··</div>77 <a·href="../../da/dec/a04499.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Expression·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Expression·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/da0/a02149.html">Kernel·Predicates</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
84 Public·Types</h2></td></tr>84 Public·Types</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions</div></td></tr>
86 <tr·class="memitem:ae14008a907ca655ae2811da800f98fd1"·id="r_ae14008a907ca655ae2811da800f98fd1"><td·class="memItemLeft"·align="right"·valign="top">typedef·void·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html#ae14008a907ca655ae2811da800f98fd1">CreationMethod</a>)·()</td></tr>86 <tr·class="memitem:ae14008a907ca655ae2811da800f98fd1"·id="r_ae14008a907ca655ae2811da800f98fd1"><td·class="memItemLeft"·align="right"·valign="top">typedef·void·*(*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html#ae14008a907ca655ae2811da800f98fd1">CreationMethod</a>)·()</td></tr>
87 <tr·class="separator:ae14008a907ca655ae2811da800f98fd1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae14008a907ca655ae2811da800f98fd1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
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210 <tr>210 <tr>
211 <td><b>·is4C1()·</b></td><td>&#160;··</td></tr>211 <td><b>·is4C1()·</b></td><td>&#160;··</td></tr>
212 </table>212 </table>
213 </dd></dl>213 </dd></dl>
214 <dl·class="section·user"><dt></dt><dd></dd></dl>214 <dl·class="section·user"><dt></dt><dd></dd></dl>
215 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d8/d1c/a04522.html">ExpressionTree</a>·</dd></dl>215 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d8/d1c/a04522.html">ExpressionTree</a>·</dd></dl>
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">expression.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
217 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>217 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
218 <a·id="ae14008a907ca655ae2811da800f98fd1"·name="ae14008a907ca655ae2811da800f98fd1"></a>218 <a·id="ae14008a907ca655ae2811da800f98fd1"·name="ae14008a907ca655ae2811da800f98fd1"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#ae14008a907ca655ae2811da800f98fd1">&#9670;&#160;</a></span>CreationMethod</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#ae14008a907ca655ae2811da800f98fd1">&#9670;&#160;</a></span>CreationMethod</h2>
  
220 <div·class="memitem">220 <div·class="memitem">
221 <div·class="memproto">221 <div·class="memproto">
222 ······<table·class="memname">222 ······<table·class="memname">
223 ········<tr>223 ········<tr>
224 ··········<td·class="memname">typedef·void·*(*·BALL::Expression::CreationMethod)·()</td>224 ··········<td·class="memname">typedef·void·*(*·BALL::Expression::CreationMethod)·()</td>
225 ········</tr>225 ········</tr>
226 ······</table>226 ······</table>
227 </div><div·class="memdoc">227 </div><div·class="memdoc">
228 <p>A·creation·method·for·predicates.·</p>228 <p>A·creation·method·for·predicates.·</p>
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">expression.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
230 </div>230 </div>
231 </div>231 </div>
232 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>232 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
233 <a·id="a0167cabe6ef3ae9b2224b809a6a987d4"·name="a0167cabe6ef3ae9b2224b809a6a987d4"></a>233 <a·id="a0167cabe6ef3ae9b2224b809a6a987d4"·name="a0167cabe6ef3ae9b2224b809a6a987d4"></a>
234 <h2·class="memtitle"><span·class="permalink"><a·href="#a0167cabe6ef3ae9b2224b809a6a987d4">&#9670;&#160;</a></span>Expression()·<span·class="overload">[1/3]</span></h2>234 <h2·class="memtitle"><span·class="permalink"><a·href="#a0167cabe6ef3ae9b2224b809a6a987d4">&#9670;&#160;</a></span>Expression()·<span·class="overload">[1/3]</span></h2>
  
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646 ··</td>646 ··</td>
647 ··<td·class="mlabels-right">647 ··<td·class="mlabels-right">
648 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>648 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
649 ··</tr>649 ··</tr>
650 </table>650 </table>
651 </div><div·class="memdoc">651 </div><div·class="memdoc">
  
652 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">expression.h</a>.</p>652 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00205">205</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
653 </div>653 </div>
654 </div>654 </div>
655 <a·id="ae431304fb46e6abb620f080b3b3b129e"·name="ae431304fb46e6abb620f080b3b3b129e"></a>655 <a·id="ae431304fb46e6abb620f080b3b3b129e"·name="ae431304fb46e6abb620f080b3b3b129e"></a>
656 <h2·class="memtitle"><span·class="permalink"><a·href="#ae431304fb46e6abb620f080b3b3b129e">&#9670;&#160;</a></span>expression_string_</h2>656 <h2·class="memtitle"><span·class="permalink"><a·href="#ae431304fb46e6abb620f080b3b3b129e">&#9670;&#160;</a></span>expression_string_</h2>
  
657 <div·class="memitem">657 <div·class="memitem">
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670 ··</td>670 ··</td>
671 ··<td·class="mlabels-right">671 ··<td·class="mlabels-right">
672 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>672 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
673 ··</tr>673 ··</tr>
674 </table>674 </table>
675 </div><div·class="memdoc">675 </div><div·class="memdoc">
  
676 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">expression.h</a>.</p>676 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
677 </div>677 </div>
678 </div>678 </div>
679 <a·id="aa7dfdff10ad9e2e50357c5fa82e8d79d"·name="aa7dfdff10ad9e2e50357c5fa82e8d79d"></a>679 <a·id="aa7dfdff10ad9e2e50357c5fa82e8d79d"·name="aa7dfdff10ad9e2e50357c5fa82e8d79d"></a>
680 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7dfdff10ad9e2e50357c5fa82e8d79d">&#9670;&#160;</a></span>expression_tree_</h2>680 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7dfdff10ad9e2e50357c5fa82e8d79d">&#9670;&#160;</a></span>expression_tree_</h2>
  
681 <div·class="memitem">681 <div·class="memitem">
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694 ··</td>694 ··</td>
695 ··<td·class="mlabels-right">695 ··<td·class="mlabels-right">
696 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>696 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
697 ··</tr>697 ··</tr>
698 </table>698 </table>
699 </div><div·class="memdoc">699 </div><div·class="memdoc">
  
700 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">expression.h</a>.</p>700 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df9/a00554_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../dc/df9/a00554_source.html">expression.h</a>.</p>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">MMScoring.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">MMScoring.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9d/a02072_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../d7/dbe/a02024_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d7/dbe/a02024_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a06402.html">BALL::MMScoring</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a06402.html">BALL::MMScoring</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../df/d2e/a03975.html">List·of·all·members</a>··</div>78 <a·href="../../df/d2e/a03975.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::CommentStruct·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::CommentStruct·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"·id="r_a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc1/a03978.html#a81595ad2d1d6b6e9bb8ea3ac6f7b0acd">name</a></td></tr>86 <tr·class="memitem:a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"·id="r_a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc1/a03978.html#a81595ad2d1d6b6e9bb8ea3ac6f7b0acd">name</a></td></tr>
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88 <tr·class="memitem:aea12c3da07b6a291ce771fa077fc52d0"·id="r_aea12c3da07b6a291ce771fa077fc52d0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc1/a03978.html#aea12c3da07b6a291ce771fa077fc52d0">value</a></td></tr>88 <tr·class="memitem:aea12c3da07b6a291ce771fa077fc52d0"·id="r_aea12c3da07b6a291ce771fa077fc52d0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc1/a03978.html#aea12c3da07b6a291ce771fa077fc52d0">value</a></td></tr>
89 <tr·class="separator:aea12c3da07b6a291ce771fa077fc52d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aea12c3da07b6a291ce771fa077fc52d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"·name="a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"></a>95 <a·id="a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"·name="a81595ad2d1d6b6e9bb8ea3ac6f7b0acd"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a81595ad2d1d6b6e9bb8ea3ac6f7b0acd">&#9670;&#160;</a></span>name</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a81595ad2d1d6b6e9bb8ea3ac6f7b0acd">&#9670;&#160;</a></span>name</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::name</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::name</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="aea12c3da07b6a291ce771fa077fc52d0"·name="aea12c3da07b6a291ce771fa077fc52d0"></a>108 <a·id="aea12c3da07b6a291ce771fa077fc52d0"·name="aea12c3da07b6a291ce771fa077fc52d0"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aea12c3da07b6a291ce771fa077fc52d0">&#9670;&#160;</a></span>value</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aea12c3da07b6a291ce771fa077fc52d0">&#9670;&#160;</a></span>value</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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117 ······<table·class="memname">117 ······<table·class="memname">
118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::value</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::CommentStruct::value</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d3/dc7/a06847.html">List·of·all·members</a>··</div>79 <a·href="../../d3/dc7/a06847.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::AssignChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::AssignChargeProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::AssignChargeProcessor:</div>85 Inheritance·diagram·for·BALL::AssignChargeProcessor:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d7/dc5/a06850.png"·usemap="#BALL::AssignChargeProcessor_map"·alt=""/>88 ··<img·src="../../d7/dc5/a06850.png"·usemap="#BALL::AssignChargeProcessor_map"·alt=""/>
89 ··<map·id="BALL::AssignChargeProcessor_map"·name="BALL::AssignChargeProcessor_map">89 ··<map·id="BALL::AssignChargeProcessor_map"·name="BALL::AssignChargeProcessor_map">
90 <area·href="../../d1/d67/a06846.html"·alt="BALL::AssignRadiusProcessor"·shape="rect"·coords="0,112,286,136"/>90 <area·href="../../d1/d67/a06846.html"·alt="BALL::AssignRadiusProcessor"·shape="rect"·coords="0,112,286,136"/>
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163 <tr·class="inherit_header·pro_methods_a06846"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06846')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d1/d67/a06846.html">BALL::AssignRadiusProcessor</a></td></tr>163 <tr·class="inherit_header·pro_methods_a06846"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a06846')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d1/d67/a06846.html">BALL::AssignRadiusProcessor</a></td></tr>
164 <tr·class="memitem:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"·id="r_adf96797afc4d351f53a28153f567c5de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d67/a06846.html#adf96797afc4d351f53a28153f567c5de">buildTable_</a>·()</td></tr>164 <tr·class="memitem:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"·id="r_adf96797afc4d351f53a28153f567c5de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d67/a06846.html#adf96797afc4d351f53a28153f567c5de">buildTable_</a>·()</td></tr>
165 <tr·class="separator:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:adf96797afc4d351f53a28153f567c5de·inherit·pro_methods_a06846"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p>Assigns·a·charge·to·each·atom.·This·processor·reads·a·charge·table·from·a·file·and·assigns·each·atom·a·charge·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>168 <div·class="textblock"><p>Assigns·a·charge·to·each·atom.·This·processor·reads·a·charge·table·from·a·file·and·assigns·each·atom·a·charge·according·to·its·name·and·the·name·of·the·fragment·the·atom·is·contained·in.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="a086890005d584f49ee3962eb963a8771"·name="a086890005d584f49ee3962eb963a8771"></a>171 <a·id="a086890005d584f49ee3962eb963a8771"·name="a086890005d584f49ee3962eb963a8771"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a086890005d584f49ee3962eb963a8771">&#9670;&#160;</a></span>AssignChargeProcessor()·<span·class="overload">[1/2]</span></h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a086890005d584f49ee3962eb963a8771">&#9670;&#160;</a></span>AssignChargeProcessor()·<span·class="overload">[1/2]</span></h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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305 ··</td>305 ··</td>
306 ··<td·class="mlabels-right">306 ··<td·class="mlabels-right">
307 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>307 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
308 ··</tr>308 ··</tr>
309 </table>309 </table>
310 </div><div·class="memdoc">310 </div><div·class="memdoc">
  
311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>311 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
  
312 </div>312 </div>
313 </div>313 </div>
314 </div><!--·contents·-->314 </div><!--·contents·-->
315 <!--·start·footer·part·-->315 <!--·start·footer·part·-->
316 <hr·class="footer"/><address·class="footer"><small>316 <hr·class="footer"/><address·class="footer"><small>
317 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8317 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::SmartsMatcher::RecStructPool_·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SmartsMatcher::RecStructPool_·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool··82 <p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool··
83 ·<a·href="../../d7/dc6/a07210.html#details">More...</a></p>83 ·<a·href="../../d7/dc6/a07210.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d88/a01823_source.html">BALL/STRUCTURE/smartsMatcher.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/STRUCTURE/smartsMatcher.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
87 Public·Member·Functions</h2></td></tr>87 Public·Member·Functions</h2></td></tr>
88 <tr·class="memitem:abb3b6c2758102c13ff7c7e6da13f2a3c"·id="r_abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">RecStructPool_</a>·()</td></tr>88 <tr·class="memitem:abb3b6c2758102c13ff7c7e6da13f2a3c"·id="r_abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#abb3b6c2758102c13ff7c7e6da13f2a3c">RecStructPool_</a>·()</td></tr>
89 <tr·class="memdesc:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·constructors··<br·/></td></tr>89 <tr·class="memdesc:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·constructors··<br·/></td></tr>
90 <tr·class="separator:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:abb3b6c2758102c13ff7c7e6da13f2a3c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:aaaeb4443c890301b3644163655942256"·id="r_aaaeb4443c890301b3644163655942256"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#aaaeb4443c890301b3644163655942256">~RecStructPool_</a>·()</td></tr>91 <tr·class="memitem:aaaeb4443c890301b3644163655942256"·id="r_aaaeb4443c890301b3644163655942256"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#aaaeb4443c890301b3644163655942256">~RecStructPool_</a>·()</td></tr>
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102 <tr·class="memitem:a54e924f3a0f46ada38cf8ac8d3b8d394"·id="r_a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">destroy</a>·(<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·pos)</td></tr>102 <tr·class="memitem:a54e924f3a0f46ada38cf8ac8d3b8d394"·id="r_a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html#a54e924f3a0f46ada38cf8ac8d3b8d394">destroy</a>·(<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·pos)</td></tr>
103 <tr·class="memdesc:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">frees·the·structure·at·position·pos··<br·/></td></tr>103 <tr·class="memdesc:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">frees·the·structure·at·position·pos··<br·/></td></tr>
104 <tr·class="separator:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a54e924f3a0f46ada38cf8ac8d3b8d394"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool·</p>107 <div·class="textblock"><p>class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d88/a01823_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d9/d88/a01823_source.html">smartsMatcher.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">smartsMatcher.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="abb3b6c2758102c13ff7c7e6da13f2a3c"·name="abb3b6c2758102c13ff7c7e6da13f2a3c"></a>110 <a·id="abb3b6c2758102c13ff7c7e6da13f2a3c"·name="abb3b6c2758102c13ff7c7e6da13f2a3c"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#abb3b6c2758102c13ff7c7e6da13f2a3c">&#9670;&#160;</a></span>RecStructPool_()</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#abb3b6c2758102c13ff7c7e6da13f2a3c">&#9670;&#160;</a></span>RecStructPool_()</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/d0f/a05063.html">List·of·all·members</a>··</div>77 <a·href="../../da/d0f/a05063.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::BendComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::BendComponent·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::BendComponent:</div>83 Inheritance·diagram·for·BALL::BendComponent:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/dc7/a05066.png"·usemap="#BALL::BendComponent_map"·alt=""/>86 ··<img·src="../../d7/dc7/a05066.png"·usemap="#BALL::BendComponent_map"·alt=""/>
87 ··<map·id="BALL::BendComponent_map"·name="BALL::BendComponent_map">87 ··<map·id="BALL::BendComponent_map"·name="BALL::BendComponent_map">
88 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>88 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="92,56,266,80"/>
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228 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>228 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
229 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>229 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
230 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>230 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
231 </table>231 </table>
232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
233 <div·class="textblock"><p>Amber·bond·stretch·component·</p>233 <div·class="textblock"><p>Amber·bond·stretch·component·</p>
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d95/a01637_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../db/d95/a01637_source.html">bendComponent.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">bendComponent.h</a>.</p>
235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
236 <a·id="a0a3421712788d9e226a15a521066c581"·name="a0a3421712788d9e226a15a521066c581"></a>236 <a·id="a0a3421712788d9e226a15a521066c581"·name="a0a3421712788d9e226a15a521066c581"></a>
237 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a3421712788d9e226a15a521066c581">&#9670;&#160;</a></span>BendComponent()·<span·class="overload">[1/2]</span></h2>237 <h2·class="memtitle"><span·class="permalink"><a·href="#a0a3421712788d9e226a15a521066c581">&#9670;&#160;</a></span>BendComponent()·<span·class="overload">[1/2]</span></h2>
  
238 <div·class="memitem">238 <div·class="memitem">
239 <div·class="memproto">239 <div·class="memproto">
240 ······<table·class="memname">240 ······<table·class="memname">
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375 ··</td>375 ··</td>
376 ··<td·class="mlabels-right">376 ··<td·class="mlabels-right">
377 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>377 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
378 ··</tr>378 ··</tr>
379 </table>379 </table>
380 </div><div·class="memdoc">380 </div><div·class="memdoc">
  
381 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d95/a01637_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../db/d95/a01637_source.html">bendComponent.h</a>.</p>381 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">bendComponent.h</a>.</p>
  
382 </div>382 </div>
383 </div>383 </div>
384 <a·id="a991a4c9b610741d95d13026ff5bf9978"·name="a991a4c9b610741d95d13026ff5bf9978"></a>384 <a·id="a991a4c9b610741d95d13026ff5bf9978"·name="a991a4c9b610741d95d13026ff5bf9978"></a>
385 <h2·class="memtitle"><span·class="permalink"><a·href="#a991a4c9b610741d95d13026ff5bf9978">&#9670;&#160;</a></span>bend_parameters_</h2>385 <h2·class="memtitle"><span·class="permalink"><a·href="#a991a4c9b610741d95d13026ff5bf9978">&#9670;&#160;</a></span>bend_parameters_</h2>
  
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399 ··</td>399 ··</td>
400 ··<td·class="mlabels-right">400 ··<td·class="mlabels-right">
401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>401 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
402 ··</tr>402 ··</tr>
403 </table>403 </table>
404 </div><div·class="memdoc">404 </div><div·class="memdoc">
  
405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d95/a01637_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../db/d95/a01637_source.html">bendComponent.h</a>.</p>405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d89/a00071_source.html#l00080">80</a>·of·file·<a·class="el"·href="../../d0/d89/a00071_source.html">bendComponent.h</a>.</p>
  
406 </div>406 </div>
407 </div>407 </div>
408 </div><!--·contents·-->408 </div><!--·contents·-->
409 <!--·start·footer·part·-->409 <!--·start·footer·part·-->
410 <hr·class="footer"/><address·class="footer"><small>410 <hr·class="footer"/><address·class="footer"><small>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">colorUnitHue.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">templates.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d7/da8/a20377_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/DATATYPE/hashset.h&gt;</code><br·/>
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90 <table·class="memberdecls">87 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/d36/a05763.html">List·of·all·members</a>··</div>77 <a·href="../../d8/d36/a05763.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LogitModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::LogitModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d23/a01025_source.html">BALL/QSAR/logitModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/QSAR/logitModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
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84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
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252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
253 <div·class="textblock"><p>class·for·logistic·regression·</p>253 <div·class="textblock"><p>class·for·logistic·regression·</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d23/a01025_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/d23/a01025_source.html">logitModel.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">logitModel.h</a>.</p>
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75 ··<div·class="summary">75 ··<div·class="summary">
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78 ··<div·class="headertitle"><div·class="title">validation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">XYZFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d6c/a00977_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;iterator&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d7/dd4/a00968_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/dd4/a00968_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
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95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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 69 <div·id="nav-path"·class="navpath">
 70 ··<ul>
 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">datatype.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;cmath&gt;</code><br·/>
 86 <code>#include·&lt;sstream&gt;</code><br·/>
 87 </div>
 88 <p><a·href="../../d7/dd7/a20338_source.html">Go·to·the·source·code·of·this·file.</a></p>
 89 <table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 91 Classes</h2></td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d7c/a05726.html">BALL::QSAR::Kernel</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 </table><table·class="memberdecls">
 95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 96 Namespaces</h2></td></tr>
 97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table>
74 </div><!--·contents·-->102 </div><!--·contents·-->
75 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
76 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d7/d33/a05659.html">List·of·all·members</a>··</div>77 <a·href="../../d7/d33/a05659.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::BalabanIndexJ·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::BalabanIndexJ·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d82/a00920_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d21/a00368_source.html">BALL/QSAR/connectivityDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::BalabanIndexJ:</div>83 Inheritance·diagram·for·BALL::BalabanIndexJ:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d7/dde/a05662.png"·usemap="#BALL::BalabanIndexJ_map"·alt=""/>86 ··<img·src="../../d7/dde/a05662.png"·usemap="#BALL::BalabanIndexJ_map"·alt=""/>
87 ··<map·id="BALL::BalabanIndexJ_map"·name="BALL::BalabanIndexJ_map">87 ··<map·id="BALL::BalabanIndexJ_map"·name="BALL::BalabanIndexJ_map">
88 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>88 <area·href="../../d1/d96/a05654.html"·alt="BALL::ConnectivityBase"·shape="rect"·coords="0,168,341,192"/>
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179 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>179 <tr·class="separator:a3bf161323d865a8bb1638045f02c454b·inherit·pro_methods_a05654"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
180 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>180 <tr·class="inherit_header·pro_methods_a05666"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a05666')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../da/d64/a05666.html">BALL::Descriptor</a></td></tr>
181 </table>181 </table>
182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
183 <div·class="textblock"><p>The·Balaban·index·J·is·topological·index.·It·is·calculated·using·the·distance·matrix·with·weighted·edges·of·the·molecular·graph:·1·for·single·bonds,·$\frac{1}{2}$·for·double·bonds,·$\frac{1}{3}$·for·triple·bonds·and·$\frac{2}{3}$·for·aromatic·bonds.·<br··/>183 <div·class="textblock"><p>The·Balaban·index·J·is·topological·index.·It·is·calculated·using·the·distance·matrix·with·weighted·edges·of·the·molecular·graph:·1·for·single·bonds,·$\frac{1}{2}$·for·double·bonds,·$\frac{1}{3}$·for·triple·bonds·and·$\frac{2}{3}$·for·aromatic·bonds.·<br··/>
184 ·(·J·=·\frac{q}{(q-n+2)}·\cdot·\sum_{\text{adjac.}i,j}·(s_i,s_j)^{-\frac{1}{2}}·),·$s_i$·and·$s_j$·denotes·the·row·sum·of·the·distance·matrix·of·atom·$i$·and·$j$.·</p>184 ·(·J·=·\frac{q}{(q-n+2)}·\cdot·\sum_{\text{adjac.}i,j}·(s_i,s_j)^{-\frac{1}{2}}·),·$s_i$·and·$s_j$·denotes·the·row·sum·of·the·distance·matrix·of·atom·$i$·and·$j$.·</p>
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d82/a00920_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d6/d82/a00920_source.html">connectivityDescriptors.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d21/a00368_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d8/d21/a00368_source.html">connectivityDescriptors.h</a>.</p>
186 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>186 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
187 <a·id="ad0d6204a4414e4757b36a48a25a1d72e"·name="ad0d6204a4414e4757b36a48a25a1d72e"></a>187 <a·id="ad0d6204a4414e4757b36a48a25a1d72e"·name="ad0d6204a4414e4757b36a48a25a1d72e"></a>
188 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0d6204a4414e4757b36a48a25a1d72e">&#9670;&#160;</a></span>BalabanIndexJ()·<span·class="overload">[1/2]</span></h2>188 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0d6204a4414e4757b36a48a25a1d72e">&#9670;&#160;</a></span>BalabanIndexJ()·<span·class="overload">[1/2]</span></h2>
  
189 <div·class="memitem">189 <div·class="memitem">
190 <div·class="memproto">190 <div·class="memproto">
191 ······<table·class="memname">191 ······<table·class="memname">
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d1/dc8/a03895.html">List·of·all·members</a>··</div>78 <a·href="../../d1/dc8/a03895.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAMESSDatFile::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/da7/a01283_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/FORMAT/GAMESSDatFile.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a7e1c333a906fc27a309c4270f13e8271"·id="r_a7e1c333a906fc27a309c4270f13e8271"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html#a7e1c333a906fc27a309c4270f13e8271">current_parser</a></td></tr>86 <tr·class="memitem:a7e1c333a906fc27a309c4270f13e8271"·id="r_a7e1c333a906fc27a309c4270f13e8271"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/ddf/a03898.html#a7e1c333a906fc27a309c4270f13e8271">current_parser</a></td></tr>
87 <tr·class="separator:a7e1c333a906fc27a309c4270f13e8271"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a7e1c333a906fc27a309c4270f13e8271"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../d7/ddf/a03898.html">State</a>·of·the·parser·</p>90 <div·class="textblock"><p><a·class="el"·href="../../d7/ddf/a03898.html">State</a>·of·the·parser·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a7e1c333a906fc27a309c4270f13e8271"·name="a7e1c333a906fc27a309c4270f13e8271"></a>93 <a·id="a7e1c333a906fc27a309c4270f13e8271"·name="a7e1c333a906fc27a309c4270f13e8271"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e1c333a906fc27a309c4270f13e8271">&#9670;&#160;</a></span>current_parser</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a7e1c333a906fc27a309c4270f13e8271">&#9670;&#160;</a></span>current_parser</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
98 ········<tr>98 ········<tr>
99 ··········<td·class="memname"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>*·BALL::GAMESSDatFile::State::current_parser</td>99 ··········<td·class="memname"><a·class="el"·href="../../d2/df3/a03890.html">GAMESSDatFile</a>*·BALL::GAMESSDatFile::State::current_parser</td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da7/a01283_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d5/da7/a01283_source.html">GAMESSDatFile.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">GAMESSDatFile.h</a>.</p>
  
104 </div>104 </div>
105 </div>105 </div>
106 </div><!--·contents·-->106 </div><!--·contents·-->
107 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/dc1/a04671.html">List·of·all·members</a>··</div>78 <a·href="../../db/dc1/a04671.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ProteinPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ProteinPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ProteinPredicate:</div>84 Inheritance·diagram·for·BALL::ProteinPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d7/de4/a04674.png"·usemap="#BALL::ProteinPredicate_map"·alt=""/>87 ··<img·src="../../d7/de4/a04674.png"·usemap="#BALL::ProteinPredicate_map"·alt=""/>
88 ··<map·id="BALL::ProteinPredicate_map"·name="BALL::ProteinPredicate_map">88 ··<map·id="BALL::ProteinPredicate_map"·name="BALL::ProteinPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·proteins.·Returns·<code>true</code>,·if·the·name·of·the·protein·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·proteins.·Returns·<code>true</code>,·if·the·name·of·the·protein·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a281af88c9d62ec2a68f383f3b6dbc6c8"·name="a281af88c9d62ec2a68f383f3b6dbc6c8"></a>134 <a·id="a281af88c9d62ec2a68f383f3b6dbc6c8"·name="a281af88c9d62ec2a68f383f3b6dbc6c8"></a>
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79 </div><!--header-->79 </div><!--header-->
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">charmmStretch.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">parameter.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/dd2/a01604_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d7/def/a01538_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d7/def/a01538_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d33/a03770.html">BALL::GenericParameter</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d82/a03774.html">BALL::DoubleParameter</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbd/a05038.html">BALL::CharmmStretch</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5f/a03778.html">BALL::QuaternionParameter</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
99 <tr·class="memitem:a55865a990730dc86efa8e45055181647"·id="r_a55865a990730dc86efa8e45055181647"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/def/a01538.html#a55865a990730dc86efa8e45055181647">CHARMM_STRETCHES_ENABLED</a>&#160;&#160;&#160;&quot;enable·Stretches&quot;</td></tr> 
100 <tr·class="memdesc:a55865a990730dc86efa8e45055181647"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Stretches··<br·/></td></tr> 
101 <tr·class="separator:a55865a990730dc86efa8e45055181647"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>98 </table>
103 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
104 <a·id="a55865a990730dc86efa8e45055181647"·name="a55865a990730dc86efa8e45055181647"></a> 
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a55865a990730dc86efa8e45055181647">&#9670;&#160;</a></span>CHARMM_STRETCHES_ENABLED</h2> 
  
106 <div·class="memitem"> 
107 <div·class="memproto"> 
108 ······<table·class="memname"> 
109 ········<tr> 
110 ··········<td·class="memname">#define·CHARMM_STRETCHES_ENABLED&#160;&#160;&#160;&quot;enable·Stretches&quot;</td> 
111 ········</tr> 
112 ······</table> 
113 </div><div·class="memdoc"> 
  
114 <p>flag·to·enable·Stretches·</p> 
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a01538_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/def/a01538_source.html">charmmStretch.h</a>.</p> 
  
116 </div> 
117 </div> 
118 </div><!--·contents·-->99 </div><!--·contents·-->
119 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
120 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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123 </body>104 </body>
124 </html>105 </html>
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d0/d3f/a06975.html">List·of·all·members</a>··</div>80 <a·href="../../d0/d3f/a06975.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::MolecularSimilarity·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::MolecularSimilarity·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
87 Public·Member·Functions</h2></td></tr>87 Public·Member·Functions</h2></td></tr>
88 <tr·class="memitem:a8c88d7cd40c42b3cd5183307d7fad222"·id="r_a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a8c88d7cd40c42b3cd5183307d7fad222">MolecularSimilarity</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·smarts_file)</td></tr>88 <tr·class="memitem:a8c88d7cd40c42b3cd5183307d7fad222"·id="r_a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a8c88d7cd40c42b3cd5183307d7fad222">MolecularSimilarity</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·smarts_file)</td></tr>
89 <tr·class="separator:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a8c88d7cd40c42b3cd5183307d7fad222"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:af4b222732271863f119a1538b82a3eac"·id="r_af4b222732271863f119a1538b82a3eac"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#af4b222732271863f119a1538b82a3eac">generateFingerprints</a>·(<a·class="el"·href="../../de/d04/a04774.html">System</a>·&amp;<a·class="el"·href="../../da/da2/a02217.html#a74fc04919e3599bd242e353c7f4a6ae1">molecules</a>,·vector&lt;·vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;·&amp;fingerprints)</td></tr>90 <tr·class="memitem:af4b222732271863f119a1538b82a3eac"·id="r_af4b222732271863f119a1538b82a3eac"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#af4b222732271863f119a1538b82a3eac">generateFingerprints</a>·(<a·class="el"·href="../../de/d04/a04774.html">System</a>·&amp;<a·class="el"·href="../../da/da2/a02217.html#a74fc04919e3599bd242e353c7f4a6ae1">molecules</a>,·vector&lt;·vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;·&gt;·&amp;fingerprints)</td></tr>
91 <tr·class="separator:af4b222732271863f119a1538b82a3eac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:af4b222732271863f119a1538b82a3eac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 123, 15 lines modifiedOffset 123, 15 lines modified
123 <tr·class="memitem:a06a079aff7034076e127743abe169d2b"·id="r_a06a079aff7034076e127743abe169d2b"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a06a079aff7034076e127743abe169d2b">smart_names_</a></td></tr>123 <tr·class="memitem:a06a079aff7034076e127743abe169d2b"·id="r_a06a079aff7034076e127743abe169d2b"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a06a079aff7034076e127743abe169d2b">smart_names_</a></td></tr>
124 <tr·class="separator:a06a079aff7034076e127743abe169d2b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:a06a079aff7034076e127743abe169d2b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:a0c4310ad27c1b208606fac5e8d822630"·id="r_a0c4310ad27c1b208606fac5e8d822630"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d8d/a07202.html">SmartsMatcher</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a0c4310ad27c1b208606fac5e8d822630">matcher_</a></td></tr>125 <tr·class="memitem:a0c4310ad27c1b208606fac5e8d822630"·id="r_a0c4310ad27c1b208606fac5e8d822630"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/d8d/a07202.html">SmartsMatcher</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df3/a06978.html#a0c4310ad27c1b208606fac5e8d822630">matcher_</a></td></tr>
126 <tr·class="separator:a0c4310ad27c1b208606fac5e8d822630"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a0c4310ad27c1b208606fac5e8d822630"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock">129 <div·class="textblock">
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">molecularSimilarity.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a8c88d7cd40c42b3cd5183307d7fad222"·name="a8c88d7cd40c42b3cd5183307d7fad222"></a>132 <a·id="a8c88d7cd40c42b3cd5183307d7fad222"·name="a8c88d7cd40c42b3cd5183307d7fad222"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c88d7cd40c42b3cd5183307d7fad222">&#9670;&#160;</a></span>MolecularSimilarity()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a8c88d7cd40c42b3cd5183307d7fad222">&#9670;&#160;</a></span>MolecularSimilarity()</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
136 ······<table·class="memname">136 ······<table·class="memname">
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502 ··</td>502 ··</td>
503 ··<td·class="mlabels-right">503 ··<td·class="mlabels-right">
504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
505 ··</tr>505 ··</tr>
506 </table>506 </table>
507 </div><div·class="memdoc">507 </div><div·class="memdoc">
  
508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">molecularSimilarity.h</a>.</p>508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
509 </div>509 </div>
510 </div>510 </div>
511 <a·id="a0c4310ad27c1b208606fac5e8d822630"·name="a0c4310ad27c1b208606fac5e8d822630"></a>511 <a·id="a0c4310ad27c1b208606fac5e8d822630"·name="a0c4310ad27c1b208606fac5e8d822630"></a>
512 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c4310ad27c1b208606fac5e8d822630">&#9670;&#160;</a></span>matcher_</h2>512 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c4310ad27c1b208606fac5e8d822630">&#9670;&#160;</a></span>matcher_</h2>
  
513 <div·class="memitem">513 <div·class="memitem">
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526 ··</td>526 ··</td>
527 ··<td·class="mlabels-right">527 ··<td·class="mlabels-right">
528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
529 ··</tr>529 ··</tr>
530 </table>530 </table>
531 </div><div·class="memdoc">531 </div><div·class="memdoc">
  
532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">molecularSimilarity.h</a>.</p>532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
533 </div>533 </div>
534 </div>534 </div>
535 <a·id="a06a079aff7034076e127743abe169d2b"·name="a06a079aff7034076e127743abe169d2b"></a>535 <a·id="a06a079aff7034076e127743abe169d2b"·name="a06a079aff7034076e127743abe169d2b"></a>
536 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a079aff7034076e127743abe169d2b">&#9670;&#160;</a></span>smart_names_</h2>536 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a079aff7034076e127743abe169d2b">&#9670;&#160;</a></span>smart_names_</h2>
  
537 <div·class="memitem">537 <div·class="memitem">
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550 ··</td>550 ··</td>
551 ··<td·class="mlabels-right">551 ··<td·class="mlabels-right">
552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
553 ··</tr>553 ··</tr>
554 </table>554 </table>
555 </div><div·class="memdoc">555 </div><div·class="memdoc">
  
556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">molecularSimilarity.h</a>.</p>556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
557 </div>557 </div>
558 </div>558 </div>
559 <a·id="a1d0c47024035ad9730ae7aa8707d4602"·name="a1d0c47024035ad9730ae7aa8707d4602"></a>559 <a·id="a1d0c47024035ad9730ae7aa8707d4602"·name="a1d0c47024035ad9730ae7aa8707d4602"></a>
560 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d0c47024035ad9730ae7aa8707d4602">&#9670;&#160;</a></span>smarts_</h2>560 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d0c47024035ad9730ae7aa8707d4602">&#9670;&#160;</a></span>smarts_</h2>
  
561 <div·class="memitem">561 <div·class="memitem">
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574 ··</td>574 ··</td>
575 ··<td·class="mlabels-right">575 ··<td·class="mlabels-right">
576 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>576 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
577 ··</tr>577 ··</tr>
578 </table>578 </table>
579 </div><div·class="memdoc">579 </div><div·class="memdoc">
  
580 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">molecularSimilarity.h</a>.</p>580 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5b/a01841_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d2/d5b/a01841_source.html">molecularSimilarity.h</a>.</p>
  
581 </div>581 </div>
582 </div>582 </div>
583 </div><!--·contents·-->583 </div><!--·contents·-->
584 <!--·start·footer·part·-->584 <!--·start·footer·part·-->
585 <hr·class="footer"/><address·class="footer"><small>585 <hr·class="footer"/><address·class="footer"><small>
586 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8586 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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./usr/share/doc/libball1.5/html/BALL/d7/df7/a08402.html
    
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/d5f/a08399.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d5f/a08399.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MyTextBrowser·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MyTextBrowser·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/db5/a00365_source.html">BALL/VIEW/WIDGETS/helpViewer.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/df3/a01085_source.html">BALL/VIEW/WIDGETS/helpViewer.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::MyTextBrowser:</div>85 Inheritance·diagram·for·BALL::VIEW::MyTextBrowser:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d7/df7/a08402.png"·usemap="#BALL::VIEW::MyTextBrowser_map"·alt=""/>88 ··<img·src="../../d7/df7/a08402.png"·usemap="#BALL::VIEW::MyTextBrowser_map"·alt=""/>
89 ··<map·id="BALL::VIEW::MyTextBrowser_map"·name="BALL::VIEW::MyTextBrowser_map">89 ··<map·id="BALL::VIEW::MyTextBrowser_map"·name="BALL::VIEW::MyTextBrowser_map">
90 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,174,24"/>90 <area·href="../../db/d2e/a20134.html"·alt="QTextBrowser"·shape="rect"·coords="0,0,174,24"/>
Offset 103, 15 lines modifiedOffset 103, 15 lines modified
103 <tr·class="separator:add718bd5274bdfeb3d4993d2c605cc1d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:add718bd5274bdfeb3d4993d2c605cc1d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 <tr·class="memitem:a838fdd94e9bb0af071fd114c150da3a1"·id="r_a838fdd94e9bb0af071fd114c150da3a1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html#a838fdd94e9bb0af071fd114c150da3a1">backward_</a></td></tr>104 <tr·class="memitem:a838fdd94e9bb0af071fd114c150da3a1"·id="r_a838fdd94e9bb0af071fd114c150da3a1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html#a838fdd94e9bb0af071fd114c150da3a1">backward_</a></td></tr>
105 <tr·class="separator:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a838fdd94e9bb0af071fd114c150da3a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000023">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>108 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000023">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db5/a00365_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/db5/a00365_source.html">helpViewer.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="a263107838c9852b78d468d6999e0032b"·name="a263107838c9852b78d468d6999e0032b"></a>111 <a·id="a263107838c9852b78d468d6999e0032b"·name="a263107838c9852b78d468d6999e0032b"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a263107838c9852b78d468d6999e0032b">&#9670;&#160;</a></span>MyTextBrowser()</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a263107838c9852b78d468d6999e0032b">&#9670;&#160;</a></span>MyTextBrowser()</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
115 ······<table·class="memname">115 ······<table·class="memname">
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154 ··</td>154 ··</td>
155 ··<td·class="mlabels-right">155 ··<td·class="mlabels-right">
156 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>156 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
157 ··</tr>157 ··</tr>
158 </table>158 </table>
159 </div><div·class="memdoc">159 </div><div·class="memdoc">
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db5/a00365_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/db5/a00365_source.html">helpViewer.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 <a·id="add718bd5274bdfeb3d4993d2c605cc1d"·name="add718bd5274bdfeb3d4993d2c605cc1d"></a>163 <a·id="add718bd5274bdfeb3d4993d2c605cc1d"·name="add718bd5274bdfeb3d4993d2c605cc1d"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#add718bd5274bdfeb3d4993d2c605cc1d">&#9670;&#160;</a></span>forward_</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#add718bd5274bdfeb3d4993d2c605cc1d">&#9670;&#160;</a></span>forward_</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
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178 ··</td>178 ··</td>
179 ··<td·class="mlabels-right">179 ··<td·class="mlabels-right">
180 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>180 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
181 ··</tr>181 ··</tr>
182 </table>182 </table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db5/a00365_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/db5/a00365_source.html">helpViewer.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df3/a01085_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d2/df3/a01085_source.html">helpViewer.h</a>.</p>
  
185 </div>185 </div>
186 </div>186 </div>
187 </div><!--·contents·-->187 </div><!--·contents·-->
188 <!--·start·footer·part·-->188 <!--·start·footer·part·-->
189 <hr·class="footer"/><address·class="footer"><small>189 <hr·class="footer"/><address·class="footer"><small>
190 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8190 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-slots">Protected·Slots</a>·&#124;79 <a·href="#pro-slots">Protected·Slots</a>·&#124;
80 <a·href="../../da/d9a/a07655.html">List·of·all·members</a>··</div>80 <a·href="../../da/d9a/a07655.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularDynamicsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularDynamicsDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d1a/a00485_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/VIEW/DIALOGS/molecularDynamicsDialog.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::MolecularDynamicsDialog:</div>86 Inheritance·diagram·for·BALL::VIEW::MolecularDynamicsDialog:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d7/df8/a07658.png"·usemap="#BALL::VIEW::MolecularDynamicsDialog_map"·alt=""/>89 ··<img·src="../../d7/df8/a07658.png"·usemap="#BALL::VIEW::MolecularDynamicsDialog_map"·alt=""/>
90 ··<map·id="BALL::VIEW::MolecularDynamicsDialog_map"·name="BALL::VIEW::MolecularDynamicsDialog_map">90 ··<map·id="BALL::VIEW::MolecularDynamicsDialog_map"·name="BALL::VIEW::MolecularDynamicsDialog_map">
91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,234,24"/>91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,234,24"/>
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209 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>209 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>
210 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>210 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>
211 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>212 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
213 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>213 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
214 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>214 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
215 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>215 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
216 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>216 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>
217 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>217 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
218 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>218 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>
219 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>219 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
220 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>220 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>
221 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>221 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
222 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>222 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>
223 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>223 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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238 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>238 <tr·class="separator:afcd01733c038e845ad6fb5e284e89238·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
239 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>239 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
240 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>240 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
241 </table>241 </table>
242 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>242 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
243 <div·class="textblock"><p>Dialog·for·performing·MD·simulations·</p>243 <div·class="textblock"><p>Dialog·for·performing·MD·simulations·</p>
  
244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d1a/a00485_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d6/d1a/a00485_source.html">molecularDynamicsDialog.h</a>.</p>244 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/daf/a01169_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/daf/a01169_source.html">molecularDynamicsDialog.h</a>.</p>
245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>245 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
246 <a·id="a954c7f16bfd7becb2f5f1127e6b75d8d"·name="a954c7f16bfd7becb2f5f1127e6b75d8d"></a>246 <a·id="a954c7f16bfd7becb2f5f1127e6b75d8d"·name="a954c7f16bfd7becb2f5f1127e6b75d8d"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a954c7f16bfd7becb2f5f1127e6b75d8d">&#9670;&#160;</a></span>MolecularDynamicsDialog()</h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a954c7f16bfd7becb2f5f1127e6b75d8d">&#9670;&#160;</a></span>MolecularDynamicsDialog()</h2>
  
248 <div·class="memitem">248 <div·class="memitem">
249 <div·class="memproto">249 <div·class="memproto">
250 ······<table·class="memname">250 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d2/d67/a03455.html">List·of·all·members</a>··</div>79 <a·href="../../d2/d67/a03455.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;·Class·Template·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;·Class·Template·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a936326065567fc61a11283ce1c766afe"·id="r_a936326065567fc61a11283ce1c766afe"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a936326065567fc61a11283ce1c766afe">ComponentFilter_</a>·(ComponentMap·cm,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·i)</td></tr>87 <tr·class="memitem:a936326065567fc61a11283ce1c766afe"·id="r_a936326065567fc61a11283ce1c766afe"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a936326065567fc61a11283ce1c766afe">ComponentFilter_</a>·(ComponentMap·cm,·<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·i)</td></tr>
88 <tr·class="separator:a936326065567fc61a11283ce1c766afe"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a936326065567fc61a11283ce1c766afe"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"·id="r_af958b2a42be092709915bbd50d24bb36"><td·class="memTemplParams"·colspan="2">template&lt;typename·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&gt;·</td></tr>89 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"·id="r_af958b2a42be092709915bbd50d24bb36"><td·class="memTemplParams"·colspan="2">template&lt;typename·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&gt;·</td></tr>
90 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#af958b2a42be092709915bbd50d24bb36">operator()</a>·(const·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&amp;e)·const</td></tr>90 <tr·class="memitem:af958b2a42be092709915bbd50d24bb36"><td·class="memTemplItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#af958b2a42be092709915bbd50d24bb36">operator()</a>·(const·<a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·&amp;e)·const</td></tr>
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98 <tr·class="memitem:a012b367e360afb7a32483416ff532a28"·id="r_a012b367e360afb7a32483416ff532a28"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a012b367e360afb7a32483416ff532a28">component_</a></td></tr>98 <tr·class="memitem:a012b367e360afb7a32483416ff532a28"·id="r_a012b367e360afb7a32483416ff532a28"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d01/a03458.html#a012b367e360afb7a32483416ff532a28">component_</a></td></tr>
99 <tr·class="separator:a012b367e360afb7a32483416ff532a28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:a012b367e360afb7a32483416ff532a28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>100 </table>
101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>101 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
102 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>102 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·UndirectedGraph&gt;<br·/>
103 template&lt;typename·ComponentMap&gt;<br·/>103 template&lt;typename·ComponentMap&gt;<br·/>
104 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;</div>104 class·BALL::TreeWidth&lt;·UndirectedGraph·&gt;::ComponentFilter_&lt;·ComponentMap·&gt;</div>
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
107 <a·id="a936326065567fc61a11283ce1c766afe"·name="a936326065567fc61a11283ce1c766afe"></a>107 <a·id="a936326065567fc61a11283ce1c766afe"·name="a936326065567fc61a11283ce1c766afe"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a936326065567fc61a11283ce1c766afe">&#9670;&#160;</a></span>ComponentFilter_()</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#a936326065567fc61a11283ce1c766afe">&#9670;&#160;</a></span>ComponentFilter_()</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
110 <div·class="memproto">110 <div·class="memproto">
111 <div·class="memtemplate">111 <div·class="memtemplate">
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138 ··</td>138 ··</td>
139 ··<td·class="mlabels-right">139 ··<td·class="mlabels-right">
140 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>140 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
141 ··</tr>141 ··</tr>
142 </table>142 </table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <h2·class="groupheader">Member·Function·Documentation</h2>147 <h2·class="groupheader">Member·Function·Documentation</h2>
148 <a·id="af958b2a42be092709915bbd50d24bb36"·name="af958b2a42be092709915bbd50d24bb36"></a>148 <a·id="af958b2a42be092709915bbd50d24bb36"·name="af958b2a42be092709915bbd50d24bb36"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#af958b2a42be092709915bbd50d24bb36">&#9670;&#160;</a></span>operator()()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#af958b2a42be092709915bbd50d24bb36">&#9670;&#160;</a></span>operator()()</h2>
  
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173 ··</td>173 ··</td>
174 ··<td·class="mlabels-right">174 ··<td·class="mlabels-right">
175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
176 ··</tr>176 ··</tr>
177 </table>177 </table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 <h2·class="groupheader">Member·Data·Documentation</h2>182 <h2·class="groupheader">Member·Data·Documentation</h2>
183 <a·id="a0860aeafe369727385d7054d036d3d2e"·name="a0860aeafe369727385d7054d036d3d2e"></a>183 <a·id="a0860aeafe369727385d7054d036d3d2e"·name="a0860aeafe369727385d7054d036d3d2e"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#a0860aeafe369727385d7054d036d3d2e">&#9670;&#160;</a></span>cm_</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#a0860aeafe369727385d7054d036d3d2e">&#9670;&#160;</a></span>cm_</h2>
  
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202 ··</td>202 ··</td>
203 ··<td·class="mlabels-right">203 ··<td·class="mlabels-right">
204 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>204 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
205 ··</tr>205 ··</tr>
206 </table>206 </table>
207 </div><div·class="memdoc">207 </div><div·class="memdoc">
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
209 </div>209 </div>
210 </div>210 </div>
211 <a·id="a012b367e360afb7a32483416ff532a28"·name="a012b367e360afb7a32483416ff532a28"></a>211 <a·id="a012b367e360afb7a32483416ff532a28"·name="a012b367e360afb7a32483416ff532a28"></a>
212 <h2·class="memtitle"><span·class="permalink"><a·href="#a012b367e360afb7a32483416ff532a28">&#9670;&#160;</a></span>component_</h2>212 <h2·class="memtitle"><span·class="permalink"><a·href="#a012b367e360afb7a32483416ff532a28">&#9670;&#160;</a></span>component_</h2>
  
213 <div·class="memitem">213 <div·class="memitem">
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230 ··</td>230 ··</td>
231 ··<td·class="mlabels-right">231 ··<td·class="mlabels-right">
232 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>232 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
233 ··</tr>233 ··</tr>
234 </table>234 </table>
235 </div><div·class="memdoc">235 </div><div·class="memdoc">
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d12/a04691.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d12/a04691.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BackBonePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BackBonePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::BackBonePredicate:</div>84 Inheritance·diagram·for·BALL::BackBonePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d12/a04694.png"·usemap="#BALL::BackBonePredicate_map"·alt=""/>87 ··<img·src="../../d8/d12/a04694.png"·usemap="#BALL::BackBonePredicate_map"·alt=""/>
88 ··<map·id="BALL::BackBonePredicate_map"·name="BALL::BackBonePredicate_map">88 ··<map·id="BALL::BackBonePredicate_map"·name="BALL::BackBonePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·backbone·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·backbone·of·a·protein,·i.·e.·is·one·of·the·members·of·the·peptide·bond.·</p>131 <div·class="textblock"><p>Predicate·indicating·backbone·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·backbone·of·a·protein,·i.·e.·is·one·of·the·members·of·the·peptide·bond.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00276">276</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a1d8ad088b2dd47908a7f9b60cef2f447"·name="a1d8ad088b2dd47908a7f9b60cef2f447"></a>134 <a·id="a1d8ad088b2dd47908a7f9b60cef2f447"·name="a1d8ad088b2dd47908a7f9b60cef2f447"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d8ad088b2dd47908a7f9b60cef2f447">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d8ad088b2dd47908a7f9b60cef2f447">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/ddb/a04687.html">List·of·all·members</a>··</div>78 <a·href="../../d2/ddb/a04687.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MoleculePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MoleculePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::MoleculePredicate:</div>84 Inheritance·diagram·for·BALL::MoleculePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d18/a04690.png"·usemap="#BALL::MoleculePredicate_map"·alt=""/>87 ··<img·src="../../d8/d18/a04690.png"·usemap="#BALL::MoleculePredicate_map"·alt=""/>
88 ··<map·id="BALL::MoleculePredicate_map"·name="BALL::MoleculePredicate_map">88 ··<map·id="BALL::MoleculePredicate_map"·name="BALL::MoleculePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·molecules.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·molecule·defined·by·the·expression·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·molecules.·Returns·<code>true</code>,·if·the·atom·belongs·to·the·molecule·defined·by·the·expression·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00259">259</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00259">259</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a559b6018489bcb40f174dd17c6e9dda3"·name="a559b6018489bcb40f174dd17c6e9dda3"></a>134 <a·id="a559b6018489bcb40f174dd17c6e9dda3"·name="a559b6018489bcb40f174dd17c6e9dda3"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a559b6018489bcb40f174dd17c6e9dda3">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a559b6018489bcb40f174dd17c6e9dda3">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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8 <title>BALL:·oplsModel.h·File·Reference</title>8 <title>BALL:·CCP4File.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">oplsModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">CCP4File.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/QSAR/plsModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d8/d19/a00935_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/d19/a00935_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d09/a05790.html">BALL::QSAR::OPLSModel</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db3/a03846.html">BALL::CCP4File</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 </table>95 </table>
97 </div><!--·contents·-->96 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/df1/a04447.html">List·of·all·members</a>··</div>78 <a·href="../../d6/df1/a04447.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFileFactory·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFileFactory·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d42/a01259_source.html">BALL/FORMAT/trajectoryFileFactory.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d20/a00980_source.html">BALL/FORMAT/trajectoryFileFactory.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
85 Static·Public·Member·Functions</h2></td></tr>85 Static·Public·Member·Functions</h2></td></tr>
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87 <tr·class="separator:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae0efcdd5039e57411ab7a6a1372ee8c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ab360aec3e5a6e5e1f29e8e44bcc520ab"·id="r_ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ab360aec3e5a6e5e1f29e8e44bcc520ab">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·default_format)</td></tr>88 <tr·class="memitem:ab360aec3e5a6e5e1f29e8e44bcc520ab"·id="r_ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#ab360aec3e5a6e5e1f29e8e44bcc520ab">open</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name,·<a·class="el"·href="../../db/d42/a07350.html#a4fb423dfe14c17429117b4e38162ab64">File::OpenMode</a>·open_mode,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·default_format)</td></tr>
89 <tr·class="separator:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab360aec3e5a6e5e1f29e8e44bcc520ab"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:ab66ab0c7a89b465d9fb479f01d6867b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:ab66ab0c7a89b465d9fb479f01d6867b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a591c7d9ae447dc5a83d2f9a0e56603ce"·id="r_a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#a591c7d9ae447dc5a83d2f9a0e56603ce">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>95 <tr·class="memitem:a591c7d9ae447dc5a83d2f9a0e56603ce"·id="r_a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html#a591c7d9ae447dc5a83d2f9a0e56603ce">isFileExtensionSupported</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·filename)</td></tr>
96 <tr·class="separator:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a591c7d9ae447dc5a83d2f9a0e56603ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>This·class·offers·a·factory·method·that·given·a·path·to·a·trajectory·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·</p>99 <div·class="textblock"><p>This·class·offers·a·factory·method·that·given·a·path·to·a·trajectory·file·determines·the·file·type·based·on·the·file·extension·and·returns·a·pointer·to·an·appropriate·subclass·of·<a·class="el"·href="../../dc/da0/a04446.html">TrajectoryFile</a>·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d42/a01259_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d42/a01259_source.html">trajectoryFileFactory.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d20/a00980_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/d20/a00980_source.html">trajectoryFileFactory.h</a>.</p>
101 </div><h2·class="groupheader">Member·Function·Documentation</h2>101 </div><h2·class="groupheader">Member·Function·Documentation</h2>
102 <a·id="ab66ab0c7a89b465d9fb479f01d6867b2"·name="ab66ab0c7a89b465d9fb479f01d6867b2"></a>102 <a·id="ab66ab0c7a89b465d9fb479f01d6867b2"·name="ab66ab0c7a89b465d9fb479f01d6867b2"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#ab66ab0c7a89b465d9fb479f01d6867b2">&#9670;&#160;</a></span>getSupportedFormats()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#ab66ab0c7a89b465d9fb479f01d6867b2">&#9670;&#160;</a></span>getSupportedFormats()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/db6/a04683.html">List·of·all·members</a>··</div>78 <a·href="../../d9/db6/a04683.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SolventPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SolventPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SolventPredicate:</div>84 Inheritance·diagram·for·BALL::SolventPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d20/a04686.png"·usemap="#BALL::SolventPredicate_map"·alt=""/>87 ··<img·src="../../d8/d20/a04686.png"·usemap="#BALL::SolventPredicate_map"·alt=""/>
88 ··<map·id="BALL::SolventPredicate_map"·name="BALL::SolventPredicate_map">88 ··<map·id="BALL::SolventPredicate_map"·name="BALL::SolventPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·solvent·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·solvent·molecule.·This·predicate·is·<b>true</b>·if·the·atom·is·contained·in·a·molecule·with·the·property·<a·class="el"·href="../../d9/d73/a04542.html#aec5808c1547e8857df504e031b83b0d4a1071fc7e553fbcab94e889349572374e">Molecule::IS_SOLVENT·</a>·set.·This·is·usually·the·case·for·solvents·added·automatically·by·a·force·field.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d2/d69/a05086.html#a562bd66f9413aed0af5753e9efc71011">PeriodicBoundary::addSolvent</a>·</dd></dl>131 <div·class="textblock"><p>Predicate·indicating·solvent·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·solvent·molecule.·This·predicate·is·<b>true</b>·if·the·atom·is·contained·in·a·molecule·with·the·property·<a·class="el"·href="../../d9/d73/a04542.html#aec5808c1547e8857df504e031b83b0d4a1071fc7e553fbcab94e889349572374e">Molecule::IS_SOLVENT·</a>·set.·This·is·usually·the·case·for·solvents·added·automatically·by·a·force·field.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d2/d69/a05086.html#a562bd66f9413aed0af5753e9efc71011">PeriodicBoundary::addSolvent</a>·</dd></dl>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a838fe64c2c0b131c3cb9441a9a5692ac"·name="a838fe64c2c0b131c3cb9441a9a5692ac"></a>134 <a·id="a838fe64c2c0b131c3cb9441a9a5692ac"·name="a838fe64c2c0b131c3cb9441a9a5692ac"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a838fe64c2c0b131c3cb9441a9a5692ac">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a838fe64c2c0b131c3cb9441a9a5692ac">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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8 <title>BALL:·SDWidget.h·File·Reference</title>8 <title>BALL:·connectivityDescriptors.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">SDWidget.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">connectivityDescriptors.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/QSAR/connectivityBase.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d8/d21/a00368_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d8/d21/a00368_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d26/a08534.html">BALL::VIEW::SDWidget</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dc8/a05658.html">BALL::ZagrebIndex</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d03/a08538.html">BALL::VIEW::SDWidget::Option</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dde/a05662.html">BALL::BalabanIndexJ</a></td></tr>
93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/d03/a08538.html"·title="Option·names.">Option</a>·names.··<a·href="../../d7/d03/a08538.html#details">More...</a><br·/></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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85 <code>#include·&lt;QtWidgets/QGridLayout&gt;</code><br·/> 
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87 <p><a·href="../../d8/d23/a00326_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/d23/a00326_source.html">Go·to·the·source·code·of·this·file.</a></p>
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100 <li>Widgets·that·can·be·used·for·building·an·application</li>100 <li>Widgets·that·can·be·used·for·building·an·application</li>
101 </ul>101 </ul>
102 <p>First,·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·most·important·widget·for·building·an·application.·The·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·main·window·of·the·application.·It·provides·a·menu·bar·and·a·status·bar·that·can·be·initialized·and·changed·by·its·child·widgets.·Those·child·widgets·must·be·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·that·provides·interface·methods·to·create,·maintain·and·remove·menu·entries·and·preferences·tab·dialogs.·Further·the·ModularWidget·does·all·the·connectivity·needed·to·insert·the·widget·properly·into·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·(like·setup·the·menu·entries,·fetch·the·preferences·and·handle·the·signal/slot·mechanism·of·the·underlying·QT-widgets).·To·insert·such·a·widget·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·just·create·it·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·as·parent.·Each·ModularWidget·is·a·component·that·can·be·used·to·build·an·application·block·for·block.·They·use·a·<a·class="el"·href="../../d6/d6e/a07818.html">Message·</a>·communication·queue·which·is·maintained·by·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·that·relays·all·catched·messages·to·all·other·inserted·ModularWidgets·except·the·one·which·had·originally·sent·the·message.·With·these·messages·it·is·possible·for·the·widgets·to·notify·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·of·changes·done·to·the·graphical·representation·of·certain·objects·or·to·change·the·contents·of·the·status·bar·or·even·notify·of·objects·which·are·no·longer·available.·The·forth·class·we·introduce·is·the·class·<a·class="el"·href="../../d6/d15/a08526.html">Scene·</a>·that·provides·the·three-dimensional·interactive·visualization·of·the·above·mentioned·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject·</a>·objects.·With·this·class·it·is·possible·to·rotate,·translate,·zoom·or·pick·objects·by·mouse·click.·Another·important·class·is·the·class·GenericControl.·With·the·help·of·this·class·the·hierarchical·structure·of·the·visualized·objects·can·be·displayed·and·manipulated.·<br··/>102 <p>First,·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·most·important·widget·for·building·an·application.·The·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·is·the·main·window·of·the·application.·It·provides·a·menu·bar·and·a·status·bar·that·can·be·initialized·and·changed·by·its·child·widgets.·Those·child·widgets·must·be·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·that·provides·interface·methods·to·create,·maintain·and·remove·menu·entries·and·preferences·tab·dialogs.·Further·the·ModularWidget·does·all·the·connectivity·needed·to·insert·the·widget·properly·into·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·(like·setup·the·menu·entries,·fetch·the·preferences·and·handle·the·signal/slot·mechanism·of·the·underlying·QT-widgets).·To·insert·such·a·widget·derived·from·<a·class="el"·href="../../d0/d8a/a07922.html">ModularWidget·</a>·just·create·it·with·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·as·parent.·Each·ModularWidget·is·a·component·that·can·be·used·to·build·an·application·block·for·block.·They·use·a·<a·class="el"·href="../../d6/d6e/a07818.html">Message·</a>·communication·queue·which·is·maintained·by·the·class·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·that·relays·all·catched·messages·to·all·other·inserted·ModularWidgets·except·the·one·which·had·originally·sent·the·message.·With·these·messages·it·is·possible·for·the·widgets·to·notify·the·<a·class="el"·href="../../d2/d34/a07814.html">MainControl·</a>·of·changes·done·to·the·graphical·representation·of·certain·objects·or·to·change·the·contents·of·the·status·bar·or·even·notify·of·objects·which·are·no·longer·available.·The·forth·class·we·introduce·is·the·class·<a·class="el"·href="../../d6/d15/a08526.html">Scene·</a>·that·provides·the·three-dimensional·interactive·visualization·of·the·above·mentioned·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject·</a>·objects.·With·this·class·it·is·possible·to·rotate,·translate,·zoom·or·pick·objects·by·mouse·click.·Another·important·class·is·the·class·GenericControl.·With·the·help·of·this·class·the·hierarchical·structure·of·the·visualized·objects·can·be·displayed·and·manipulated.·<br··/>
103 ·<br··/>103 ·<br··/>
104 ·<br··/>104 ·<br··/>
105 ·The·following·code·is·an·example·for·building·an·application·(the·includes·have·been·omitted):·<br··/>105 ·The·following·code·is·an·example·for·building·an·application·(the·includes·have·been·omitted):·<br··/>
106 ·</p><div·class="fragment"><div·class="line"><span·class="keywordtype">int</span>·<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>(<span·class="keywordtype">int</span>·argc,·<span·class="keywordtype">char</span>·**argv)</div>106 ·</p><div·class="fragment"><div·class="line"><span·class="keywordtype">int</span>·<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>(<span·class="keywordtype">int</span>·argc,·<span·class="keywordtype">char</span>·**argv)</div>
107 <div·class="line">{</div>107 <div·class="line">{</div>
108 <div·class="line">··<span·class="comment">//·creating·mainframe·and·application</span></div>108 <div·class="line">··<span·class="comment">//·creating·mainframe·and·application</span></div>
109 <div·class="line">··QApplication·app(argc,·argv);</div>109 <div·class="line">··QApplication·app(argc,·argv);</div>
110 <div·class="line">··MainControl·<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>;</div>110 <div·class="line">··MainControl·<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>;</div>
111 <div·class="line">··app.setMainWidget(&amp;<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>111 <div·class="line">··app.setMainWidget(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
112 <div·class="line">·</div>112 <div·class="line">·</div>
113 <div·class="line">··<span·class="comment">//·create·the·the·molecular·control</span></div>113 <div·class="line">··<span·class="comment">//·create·the·the·molecular·control</span></div>
114 <div·class="line">··<span·class="keyword">new</span>·MolecularControl(&amp;<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>114 <div·class="line">··<span·class="keyword">new</span>·MolecularControl(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
115 <div·class="line">·</div>115 <div·class="line">·</div>
116 <div·class="line">··<span·class="comment">//·create·the·scene·</span></div>116 <div·class="line">··<span·class="comment">//·create·the·scene·</span></div>
117 <div·class="line">··<span·class="keyword">new</span>·Scene(&amp;<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>117 <div·class="line">··<span·class="keyword">new</span>·Scene(&amp;<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>);</div>
118 <div·class="line">·</div>118 <div·class="line">·</div>
119 <div·class="line">··<span·class="comment">//·start·the·application</span></div>119 <div·class="line">··<span·class="comment">//·start·the·application</span></div>
120 <div·class="line">··<a·class="code·hl_function"·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>.show();</div>120 <div·class="line">··<a·class="code·hl_function"·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a>.show();</div>
121 <div·class="line">··<span·class="keywordflow">return</span>·app.exec();</div>121 <div·class="line">··<span·class="keywordflow">return</span>·app.exec();</div>
122 <div·class="line">}</div>122 <div·class="line">}</div>
123 <div·class="ttc"·id="aa02111_html_a3c04138a5bfe5d72780bb7e82a18e627"><div·class="ttname"><a·href="../../d4/d64/a02111.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a></div><div·class="ttdeci">int·main(int·argc,·char·**argv)</div><div·class="ttdef"><b>Definition</b>·<a·href="../../d[·...·truncated·by·diffoscope;·len:·12,·SHA:·b840463913840e2b239ad1e241dd31fc88a12873af549c908654d27fc8a5cad3·...·]_source.html#l00046">main.C:46</a></div></div>123 <div·class="ttc"·id="aa02102_html_a3c04138a5bfe5d72780bb7e82a18e627"><div·class="ttname"><a·href="../../d0/dfe/a02102.html#a3c04138a5bfe5d72780bb7e82a18e627">main</a></div><div·class="ttdeci">int·main(int·argc,·char·**argv)</div><div·class="ttdef"><b>Definition</b>·<a·href="../../d[·...·truncated·by·diffoscope;·len:·12,·SHA:·6c8e68961fe8eb7520aebb91fe1cfb10ceacce0eb12aa7ef93aff80c00c869f1·...·]_source.html#l00046">main.C:46</a></div></div>
124 </div><!--·fragment·--><p>·<b>Note</b>·This·application·only·demonstrates·how·to·build·an·application.·It·opens·a·main·window·with·both·the·MolecularControl·and·Scene.·but·as·there·are·no·means·by·which·any·object·can·be·added·no·objects·will·be·shown·in·either·the·MolecularControl·and·the·Scene·widget.·<br··/>124 </div><!--·fragment·--><p>·<b>Note</b>·This·application·only·demonstrates·how·to·build·an·application.·It·opens·a·main·window·with·both·the·MolecularControl·and·Scene.·but·as·there·are·no·means·by·which·any·object·can·be·added·no·objects·will·be·shown·in·either·the·MolecularControl·and·the·Scene·widget.·<br··/>
125 ·<br··/>125 ·<br··/>
126 ·For·more·information·about·QT·widgets·and·application·programming·see·the·documentation·of·the·QT-library.·</p>126 ·For·more·information·about·QT·widgets·and·application·programming·see·the·documentation·of·the·QT-library.·</p>
127 </div><!--·contents·-->127 </div><!--·contents·-->
128 <!--·start·footer·part·-->128 <!--·start·footer·part·-->
129 <hr·class="footer"/><address·class="footer"><small>129 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·anisotropyShiftProcessor.h·File·Reference</title>8 <title>BALL:·iconLoader.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">anisotropyShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">iconLoader.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/>
 82 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;list&gt;</code><br·/>84 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>
 85 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/>
 86 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/>
85 </div>87 </div>
86 <p><a·href="../../d8/d27/a01043_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d8/d27/a01043_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">89 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>91 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d2b/a05454.html">BALL::AnisotropyShiftProcessor</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html">BALL::VIEW::IconLoader</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>101 </table>
98 </div><!--·contents·-->102 </div><!--·contents·-->
99 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/dbc/a03159.html">List·of·all·members</a>··</div>78 <a·href="../../d4/dbc/a03159.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NoBufferAvailable·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NoBufferAvailable·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::NoBufferAvailable:</div>84 Inheritance·diagram·for·BALL::Exception::NoBufferAvailable:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d29/a03162.png"·usemap="#BALL::Exception::NoBufferAvailable_map"·alt=""/>87 ··<img·src="../../d8/d29/a03162.png"·usemap="#BALL::Exception::NoBufferAvailable_map"·alt=""/>
88 ··<map·id="BALL::Exception::NoBufferAvailable_map"·name="BALL::Exception::NoBufferAvailable_map">88 ··<map·id="BALL::Exception::NoBufferAvailable_map"·name="BALL::Exception::NoBufferAvailable_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,214,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>RenderTarget·error·A·buffer·was·requested·from·<a·class="el"·href="../../">RenderTarget</a>·but·could·not·be·supplied·for·some·reason·at·the·given·moment.·Additional·parameter·<code>reason</code>·gives·the·reason·why·the·buffer·could·not·be·provided.·</p>143 <div·class="textblock"><p>RenderTarget·error·A·buffer·was·requested·from·<a·class="el"·href="../../">RenderTarget</a>·but·could·not·be·supplied·for·some·reason·at·the·given·moment.·Additional·parameter·<code>reason</code>·gives·the·reason·why·the·buffer·could·not·be·provided.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00461">461</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00461">461</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="afc28d0c164ca991c8abf173060fed432"·name="afc28d0c164ca991c8abf173060fed432"></a>146 <a·id="afc28d0c164ca991c8abf173060fed432"·name="afc28d0c164ca991c8abf173060fed432"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#afc28d0c164ca991c8abf173060fed432">&#9670;&#160;</a></span>NoBufferAvailable()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#afc28d0c164ca991c8abf173060fed432">&#9670;&#160;</a></span>NoBufferAvailable()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../db/d9d/a06119.html">List·of·all·members</a>··</div>79 <a·href="../../db/d9d/a06119.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::DiffGridBasedScoring·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::DiffGridBasedScoring·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::DiffGridBasedScoring:</div>85 Inheritance·diagram·for·BALL::DiffGridBasedScoring:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d8/d2f/a06122.png"·usemap="#BALL::DiffGridBasedScoring_map"·alt=""/>88 ··<img·src="../../d8/d2f/a06122.png"·usemap="#BALL::DiffGridBasedScoring_map"·alt=""/>
89 ··<map·id="BALL::DiffGridBasedScoring_map"·name="BALL::DiffGridBasedScoring_map">89 ··<map·id="BALL::DiffGridBasedScoring_map"·name="BALL::DiffGridBasedScoring_map">
90 <area·href="../../dc/d40/a06134.html"·alt="BALL::GridBasedScoring"·shape="rect"·coords="91,56,263,80"/>90 <area·href="../../dc/d40/a06134.html"·alt="BALL::GridBasedScoring"·shape="rect"·coords="91,56,263,80"/>
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472 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>472 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
473 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>473 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
474 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>474 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
475 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>475 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
476 </table>476 </table>
477 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>477 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
478 <div·class="textblock">478 <div·class="textblock">
479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a02087_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d2/d31/a02087_source.html">diffGridBasedScoring.h</a>.</p>479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">diffGridBasedScoring.h</a>.</p>
480 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>480 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
481 <a·id="a901c24df96fac86eece6ee65bd8ed8de"·name="a901c24df96fac86eece6ee65bd8ed8de"></a>481 <a·id="a901c24df96fac86eece6ee65bd8ed8de"·name="a901c24df96fac86eece6ee65bd8ed8de"></a>
482 <h2·class="memtitle"><span·class="permalink"><a·href="#a901c24df96fac86eece6ee65bd8ed8de">&#9670;&#160;</a></span>DiffGridBasedScoring()·<span·class="overload">[1/2]</span></h2>482 <h2·class="memtitle"><span·class="permalink"><a·href="#a901c24df96fac86eece6ee65bd8ed8de">&#9670;&#160;</a></span>DiffGridBasedScoring()·<span·class="overload">[1/2]</span></h2>
  
483 <div·class="memitem">483 <div·class="memitem">
484 <div·class="memproto">484 <div·class="memproto">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d7/dc6/a07035.html">List·of·all·members</a>··</div>77 <a·href="../../d7/dc6/a07035.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RDFSection·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RDFSection·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/dbd/a01844_source.html">BALL/STRUCTURE/RDFSection.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/STRUCTURE/RDFSection.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RDFSection:</div>83 Inheritance·diagram·for·BALL::RDFSection:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d8/d33/a07038.png"·usemap="#BALL::RDFSection_map"·alt=""/>86 ··<img·src="../../d8/d33/a07038.png"·usemap="#BALL::RDFSection_map"·alt=""/>
87 ··<map·id="BALL::RDFSection_map"·name="BALL::RDFSection_map">87 ··<map·id="BALL::RDFSection_map"·name="BALL::RDFSection_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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191 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>191 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
192 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>192 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
193 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Helper·class·for·<a·class="el"·href="../../de/d75/a07034.html">RDFParameter</a>.·</p>196 <div·class="textblock"><p>Helper·class·for·<a·class="el"·href="../../de/d75/a07034.html">RDFParameter</a>.·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dbd/a01844_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d2/dbd/a01844_source.html">RDFSection.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
198 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>198 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
199 <a·id="ac4da008463899b99776cc2c813638873"·name="ac4da008463899b99776cc2c813638873"></a>199 <a·id="ac4da008463899b99776cc2c813638873"·name="ac4da008463899b99776cc2c813638873"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4da008463899b99776cc2c813638873">&#9670;&#160;</a></span>Type</h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ac4da008463899b99776cc2c813638873">&#9670;&#160;</a></span>Type</h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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209 ······</table>209 ······</table>
210 </div><div·class="memdoc">210 </div><div·class="memdoc">
211 <table·class="fieldtable">211 <table·class="fieldtable">
212 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"·name="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"></a>UNKNOWN_TYPE&#160;</td><td·class="fielddoc"></td></tr>212 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"·name="ac4da008463899b99776cc2c813638873a89a7d7a0f3b12a9958389c997551c18d"></a>UNKNOWN_TYPE&#160;</td><td·class="fielddoc"></td></tr>
213 <tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"·name="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"></a>PIECEWISE_POLYNOMIAL&#160;</td><td·class="fielddoc"></td></tr>213 <tr><td·class="fieldname"><a·id="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"·name="ac4da008463899b99776cc2c813638873a0259da9ade1184961cb0a765ad17d8bf"></a>PIECEWISE_POLYNOMIAL&#160;</td><td·class="fielddoc"></td></tr>
214 </table>214 </table>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dbd/a01844_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/dbd/a01844_source.html">RDFSection.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
  
216 </div>216 </div>
217 </div>217 </div>
218 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>218 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
219 <a·id="a37b6de78d396b551b6172d5146246461"·name="a37b6de78d396b551b6172d5146246461"></a>219 <a·id="a37b6de78d396b551b6172d5146246461"·name="a37b6de78d396b551b6172d5146246461"></a>
220 <h2·class="memtitle"><span·class="permalink"><a·href="#a37b6de78d396b551b6172d5146246461">&#9670;&#160;</a></span>RDFSection()·<span·class="overload">[1/2]</span></h2>220 <h2·class="memtitle"><span·class="permalink"><a·href="#a37b6de78d396b551b6172d5146246461">&#9670;&#160;</a></span>RDFSection()·<span·class="overload">[1/2]</span></h2>
  
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418 ··</td>418 ··</td>
419 ··<td·class="mlabels-right">419 ··<td·class="mlabels-right">
420 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>420 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
421 ··</tr>421 ··</tr>
422 </table>422 </table>
423 </div><div·class="memdoc">423 </div><div·class="memdoc">
  
424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/dbd/a01844_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d2/dbd/a01844_source.html">RDFSection.h</a>.</p>424 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">RDFSection.h</a>.</p>
  
425 </div>425 </div>
426 </div>426 </div>
427 </div><!--·contents·-->427 </div><!--·contents·-->
428 <!--·start·footer·part·-->428 <!--·start·footer·part·-->
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8 <title>BALL:·classificationValidation.h·File·Reference</title>8 <title>BALL:·trajectoryFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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72 </div>72 </div>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">classificationValidation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">trajectoryFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d6c/a00977_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/MOLMEC/COMMON/snapShot.h</a>&gt;</code><br·/>
83 <code>#include·&lt;iterator&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d8/d38/a00926_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/d38/a00926_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NewSelectionMessage·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NewSelectionMessage·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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87 ·<div·class="center">87 ·<div·class="center">
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123 Protected·Attributes</h2></td></tr>123 Protected·Attributes</h2></td></tr>
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128 <div·class="textblock"><p>Send·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·to·Control·objects·to·sync·selection·</p>128 <div·class="textblock"><p>Send·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·to·Control·objects·to·sync·selection·</p>
  
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172 <p>Open·all·SelectableListViewItems,·if·they·have·a·selected·child.·</p>172 <p>Open·all·SelectableListViewItems,·if·they·have·a·selected·child.·</p>
  
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174 </div>174 </div>
175 </div>175 </div>
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177 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c8830fc8f3e93a33dcd838b2137c583">&#9670;&#160;</a></span>setOpenItems()</h2>177 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c8830fc8f3e93a33dcd838b2137c583">&#9670;&#160;</a></span>setOpenItems()</h2>
  
178 <div·class="memitem">178 <div·class="memitem">
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196 ··</td>196 ··</td>
197 ··<td·class="mlabels-right">197 ··<td·class="mlabels-right">
198 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>198 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
199 ··</tr>199 ··</tr>
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202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00505">505</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00505">505</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
203 </div>203 </div>
204 </div>204 </div>
205 <h2·class="groupheader">Member·Data·Documentation</h2>205 <h2·class="groupheader">Member·Data·Documentation</h2>
206 <a·id="a864a3b568ed56a990842d1381d2db662"·name="a864a3b568ed56a990842d1381d2db662"></a>206 <a·id="a864a3b568ed56a990842d1381d2db662"·name="a864a3b568ed56a990842d1381d2db662"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#a864a3b568ed56a990842d1381d2db662">&#9670;&#160;</a></span>open_</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#a864a3b568ed56a990842d1381d2db662">&#9670;&#160;</a></span>open_</h2>
  
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221 ··</td>221 ··</td>
222 ··<td·class="mlabels-right">222 ··<td·class="mlabels-right">
223 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>223 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
224 ··</tr>224 ··</tr>
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229 </div>229 </div>
230 </div><!--·contents·-->230 </div><!--·contents·-->
231 <!--·start·footer·part·-->231 <!--·start·footer·part·-->
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8 <title>BALL:·pairExpRDFIntegrator.h·File·Reference</title>8 <title>BALL:·charmmStretch.h·File·Reference</title>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">pairExpRDFIntegrator.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">charmmStretch.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
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82 <code>#include·&lt;<a·class="el"·href="../../de/dfb/a01874_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;BALL/STRUCTURE/piecewiseFunction.h&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/>
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86 <p><a·href="../../d8/d41/a00038_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d8/d41/a00038_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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 105 <h2·class="memtitle"><span·class="permalink"><a·href="#a55865a990730dc86efa8e45055181647">&#9670;&#160;</a></span>CHARMM_STRETCHES_ENABLED</h2>
  
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 111 ········</tr>
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 113 </div><div·class="memdoc">
  
 114 <p>flag·to·enable·Stretches·</p>
  
 115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">charmmStretch.h</a>.</p>
  
 116 </div>
 117 </div>
102 </div><!--·contents·-->118 </div><!--·contents·-->
103 <!--·start·footer·part·-->119 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>120 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../d2/ded/a08271.html">List·of·all·members</a>··</div>78 <a·href="../../d2/ded/a08271.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::POVRenderer::POVRendererClippingPlane·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::POVRenderer::POVRendererClippingPlane·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d25/a00290_source.html">BALL/VIEW/RENDERING/RENDERERS/POVRenderer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01466_source.html">BALL/VIEW/RENDERING/RENDERERS/POVRenderer.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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89 <tr·class="separator:a4db80771bfef3d22e3309990d0209db1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a4db80771bfef3d22e3309990d0209db1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d25/a00290_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/d25/a00290_source.html">POVRenderer.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01466_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/d67/a01466_source.html">POVRenderer.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="acaf47d48eac203103c9f0782be7dce43"·name="acaf47d48eac203103c9f0782be7dce43"></a>95 <a·id="acaf47d48eac203103c9f0782be7dce43"·name="acaf47d48eac203103c9f0782be7dce43"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#acaf47d48eac203103c9f0782be7dce43">&#9670;&#160;</a></span>normal</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#acaf47d48eac203103c9f0782be7dce43">&#9670;&#160;</a></span>normal</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
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101 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::normal</td>101 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::normal</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d25/a00290_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../de/d25/a00290_source.html">POVRenderer.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01466_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d5/d67/a01466_source.html">POVRenderer.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="a4db80771bfef3d22e3309990d0209db1"·name="a4db80771bfef3d22e3309990d0209db1"></a>108 <a·id="a4db80771bfef3d22e3309990d0209db1"·name="a4db80771bfef3d22e3309990d0209db1"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4db80771bfef3d22e3309990d0209db1">&#9670;&#160;</a></span>translation</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4db80771bfef3d22e3309990d0209db1">&#9670;&#160;</a></span>translation</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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117 ······<table·class="memname">117 ······<table·class="memname">
118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::translation</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::VIEW::POVRenderer::POVRendererClippingPlane::translation</td>
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124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">rescoring.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">slickScore.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
 82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d5/d6c/a00977_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/> 
86 </div>86 </div>
87 <p><a·href="../../d8/d45/a02021_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d8/d45/a02021_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html">BALL::Rescoring</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d9c/a06450.html">BALL::SLICKScore</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc1/a06422.html">BALL::Rescoring::RescoreQSARData</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d89/a06454.html">BALL::SLICKScore::Option</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d0b/a06458.html">BALL::SLICKScore::Default</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>99 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <a·href="../../d2/d71/a04503.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d71/a04503.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/d08/a02148.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ExpressionParser·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d2/d08/a02148.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html">State</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d24/a04514.html">State</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a></td></tr>
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110 <tr·class="separator:acd69e4cda4646355da72cbe35dfd7d06"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:acd69e4cda4646355da72cbe35dfd7d06"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 <tr·class="memitem:a37926ed955c6feb50e28875fa2ae6bd5"·id="r_a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4c/a04506.html#a37926ed955c6feb50e28875fa2ae6bd5">getSyntaxTree</a>·()·const</td></tr>111 <tr·class="memitem:a37926ed955c6feb50e28875fa2ae6bd5"·id="r_a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d5/dba/a04510.html">SyntaxTree</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4c/a04506.html#a37926ed955c6feb50e28875fa2ae6bd5">getSyntaxTree</a>·()·const</td></tr>
112 <tr·class="separator:a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a37926ed955c6feb50e28875fa2ae6bd5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>113 </table>
114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>114 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
115 <div·class="textblock"><p><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·Parser.·A·simple·parser·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·expressions.·It·reads·a·string·and·constructs·a·syntax·tree·from·the·boolean·expressions·contained·therein.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>115 <div·class="textblock"><p><a·class="el"·href="../../d7/dba/a04502.html">Expression</a>·Parser.·A·simple·parser·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·expressions.·It·reads·a·string·and·constructs·a·syntax·tree·from·the·boolean·expressions·contained·therein.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">expressionParser.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>117 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
118 <a·id="ac72aff536b2941f9a15fc464e74f4c79"·name="ac72aff536b2941f9a15fc464e74f4c79"></a>118 <a·id="ac72aff536b2941f9a15fc464e74f4c79"·name="ac72aff536b2941f9a15fc464e74f4c79"></a>
119 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72aff536b2941f9a15fc464e74f4c79">&#9670;&#160;</a></span>ExpressionParser()·<span·class="overload">[1/2]</span></h2>119 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72aff536b2941f9a15fc464e74f4c79">&#9670;&#160;</a></span>ExpressionParser()·<span·class="overload">[1/2]</span></h2>
  
120 <div·class="memitem">120 <div·class="memitem">
121 <div·class="memproto">121 <div·class="memproto">
122 ······<table·class="memname">122 ······<table·class="memname">
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233 ··</td>233 ··</td>
234 ··<td·class="mlabels-right">234 ··<td·class="mlabels-right">
235 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>235 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
236 ··</tr>236 ··</tr>
237 </table>237 </table>
238 </div><div·class="memdoc">238 </div><div·class="memdoc">
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">expressionParser.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 <a·id="ae41a12803556d37723dbeebb7336913b"·name="ae41a12803556d37723dbeebb7336913b"></a>242 <a·id="ae41a12803556d37723dbeebb7336913b"·name="ae41a12803556d37723dbeebb7336913b"></a>
243 <h2·class="memtitle"><span·class="permalink"><a·href="#ae41a12803556d37723dbeebb7336913b">&#9670;&#160;</a></span>state</h2>243 <h2·class="memtitle"><span·class="permalink"><a·href="#ae41a12803556d37723dbeebb7336913b">&#9670;&#160;</a></span>state</h2>
  
244 <div·class="memitem">244 <div·class="memitem">
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257 ··</td>257 ··</td>
258 ··<td·class="mlabels-right">258 ··<td·class="mlabels-right">
259 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>259 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
260 ··</tr>260 ··</tr>
261 </table>261 </table>
262 </div><div·class="memdoc">262 </div><div·class="memdoc">
  
263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">expressionParser.h</a>.</p>263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
264 </div>264 </div>
265 </div>265 </div>
266 <a·id="a13a463db1e909b9b6d184b76da13fbb5"·name="a13a463db1e909b9b6d184b76da13fbb5"></a>266 <a·id="a13a463db1e909b9b6d184b76da13fbb5"·name="a13a463db1e909b9b6d184b76da13fbb5"></a>
267 <h2·class="memtitle"><span·class="permalink"><a·href="#a13a463db1e909b9b6d184b76da13fbb5">&#9670;&#160;</a></span>syntax_tree_</h2>267 <h2·class="memtitle"><span·class="permalink"><a·href="#a13a463db1e909b9b6d184b76da13fbb5">&#9670;&#160;</a></span>syntax_tree_</h2>
  
268 <div·class="memitem">268 <div·class="memitem">
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281 ··</td>281 ··</td>
282 ··<td·class="mlabels-right">282 ··<td·class="mlabels-right">
283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>283 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
284 ··</tr>284 ··</tr>
285 </table>285 </table>
286 </div><div·class="memdoc">286 </div><div·class="memdoc">
  
287 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">expressionParser.h</a>.</p>287 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/def/a00521_source.html#l00183">183</a>·of·file·<a·class="el"·href="../../d7/def/a00521_source.html">expressionParser.h</a>.</p>
  
288 </div>288 </div>
289 </div>289 </div>
290 </div><!--·contents·-->290 </div><!--·contents·-->
291 <!--·start·footer·part·-->291 <!--·start·footer·part·-->
292 <hr·class="footer"/><address·class="footer"><small>292 <hr·class="footer"/><address·class="footer"><small>
293 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8293 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d6e/a03099.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d6e/a03099.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotImplemented·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotImplemented·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::NotImplemented:</div>84 Inheritance·diagram·for·BALL::Exception::NotImplemented:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d4f/a03102.png"·usemap="#BALL::Exception::NotImplemented_map"·alt=""/>87 ··<img·src="../../d8/d4f/a03102.png"·usemap="#BALL::Exception::NotImplemented_map"·alt=""/>
88 ··<map·id="BALL::Exception::NotImplemented_map"·name="BALL::Exception::NotImplemented_map">88 ··<map·id="BALL::Exception::NotImplemented_map"·name="BALL::Exception::NotImplemented_map">
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Not·implemented·exception.·This·exception·should·be·thrown·to·indicate·not·yet·inplemented·methods.·If·you·take·the·time·to·use·the·detailed·constructor·instead·of·the·default·constructor,·identification·of·the·concerned·source·will·get·<b>·much·</b>·easier!·</p>143 <div·class="textblock"><p>Not·implemented·exception.·This·exception·should·be·thrown·to·indicate·not·yet·inplemented·methods.·If·you·take·the·time·to·use·the·detailed·constructor·instead·of·the·default·constructor,·identification·of·the·concerned·source·will·get·<b>·much·</b>·easier!·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00292">292</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00292">292</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a0580a2b58ec82b75a9ede886cf26522b"·name="a0580a2b58ec82b75a9ede886cf26522b"></a>146 <a·id="a0580a2b58ec82b75a9ede886cf26522b"·name="a0580a2b58ec82b75a9ede886cf26522b"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0580a2b58ec82b75a9ede886cf26522b">&#9670;&#160;</a></span>NotImplemented()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0580a2b58ec82b75a9ede886cf26522b">&#9670;&#160;</a></span>NotImplemented()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/df9/a07367.html">List·of·all·members</a>··</div>78 <a·href="../../dc/df9/a07367.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·QMutex·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TMutex&lt;·QMutex·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TMutex&lt;·QMutex·&gt;:</div>84 Inheritance·diagram·for·BALL::TMutex&lt;·QMutex·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d4f/a07370.png"·alt=""/>87 ··<img·src="../../d8/d4f/a07370.png"·alt=""/>
88 ·</div></div>88 ·</div></div>
89 <table·class="memberdecls">89 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
91 Public·Member·Functions</h2></td></tr>91 Public·Member·Functions</h2></td></tr>
92 <tr·class="memitem:a864b5eba099a42e989c25cbbf09089c2"·id="r_a864b5eba099a42e989c25cbbf09089c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4f/a07370.html#a864b5eba099a42e989c25cbbf09089c2">TMutex</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>92 <tr·class="memitem:a864b5eba099a42e989c25cbbf09089c2"·id="r_a864b5eba099a42e989c25cbbf09089c2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d4f/a07370.html#a864b5eba099a42e989c25cbbf09089c2">TMutex</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·is_recursive=false)</td></tr>
93 <tr·class="separator:a864b5eba099a42e989c25cbbf09089c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a864b5eba099a42e989c25cbbf09089c2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="a864b5eba099a42e989c25cbbf09089c2"·name="a864b5eba099a42e989c25cbbf09089c2"></a>99 <a·id="a864b5eba099a42e989c25cbbf09089c2"·name="a864b5eba099a42e989c25cbbf09089c2"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a864b5eba099a42e989c25cbbf09089c2">&#9670;&#160;</a></span>TMutex()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a864b5eba099a42e989c25cbbf09089c2">&#9670;&#160;</a></span>TMutex()</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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118 ··<td·class="mlabels-right">118 ··<td·class="mlabels-right">
119 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>119 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
120 ··</tr>120 ··</tr>
121 </table>121 </table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d1/d42/a03979.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d42/a03979.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MOLFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MOLFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::MOLFile:</div>84 Inheritance·diagram·for·BALL::MOLFile:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d56/a03982.png"·usemap="#BALL::MOLFile_map"·alt=""/>87 ··<img·src="../../d8/d56/a03982.png"·usemap="#BALL::MOLFile_map"·alt=""/>
88 ··<map·id="BALL::MOLFile_map"·name="BALL::MOLFile_map">88 ··<map·id="BALL::MOLFile_map"·name="BALL::MOLFile_map">
89 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>89 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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433 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>433 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
434 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>434 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
435 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>435 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
436 </table>436 </table>
437 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>437 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
438 <div·class="textblock"><p>MDL·MOL·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·MOL·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>438 <div·class="textblock"><p>MDL·MOL·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·MOL·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d53/a01262_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d53/a01262_source.html">MOLFile.h</a>.</p>439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
440 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>440 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
441 <a·id="af8989810d99b7114b3781cd756d14ece"·name="af8989810d99b7114b3781cd756d14ece"></a>441 <a·id="af8989810d99b7114b3781cd756d14ece"·name="af8989810d99b7114b3781cd756d14ece"></a>
442 <h2·class="memtitle"><span·class="permalink"><a·href="#af8989810d99b7114b3781cd756d14ece">&#9670;&#160;</a></span>MOLFile()·<span·class="overload">[1/2]</span></h2>442 <h2·class="memtitle"><span·class="permalink"><a·href="#af8989810d99b7114b3781cd756d14ece">&#9670;&#160;</a></span>MOLFile()·<span·class="overload">[1/2]</span></h2>
  
443 <div·class="memitem">443 <div·class="memitem">
444 <div·class="memproto">444 <div·class="memproto">
445 ······<table·class="memname">445 ······<table·class="memname">
Offset 899, 15 lines modifiedOffset 899, 15 lines modified
899 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>899 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
900 ··</tr>900 ··</tr>
901 </table>901 </table>
902 </div><div·class="memdoc">902 </div><div·class="memdoc">
  
903 <p>The·format·of·an·entry·of·the·atom·block.·</p>903 <p>The·format·of·an·entry·of·the·atom·block.·</p>
  
904 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d53/a01262_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d3/d53/a01262_source.html">MOLFile.h</a>.</p>904 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00177">177</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
905 </div>905 </div>
906 </div>906 </div>
907 <a·id="a2d014e550f586ae444296bdc04381c0e"·name="a2d014e550f586ae444296bdc04381c0e"></a>907 <a·id="a2d014e550f586ae444296bdc04381c0e"·name="a2d014e550f586ae444296bdc04381c0e"></a>
908 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d014e550f586ae444296bdc04381c0e">&#9670;&#160;</a></span>bond_format_</h2>908 <h2·class="memtitle"><span·class="permalink"><a·href="#a2d014e550f586ae444296bdc04381c0e">&#9670;&#160;</a></span>bond_format_</h2>
  
909 <div·class="memitem">909 <div·class="memitem">
Offset 925, 15 lines modifiedOffset 925, 15 lines modified
925 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>925 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
926 ··</tr>926 ··</tr>
927 </table>927 </table>
928 </div><div·class="memdoc">928 </div><div·class="memdoc">
  
929 <p>The·format·of·an·entry·of·the·bond·block.·</p>929 <p>The·format·of·an·entry·of·the·bond·block.·</p>
  
930 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d53/a01262_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d3/d53/a01262_source.html">MOLFile.h</a>.</p>930 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
931 </div>931 </div>
932 </div>932 </div>
933 <a·id="abcae4cc76819db1d4c2d00b4a5b95b14"·name="abcae4cc76819db1d4c2d00b4a5b95b14"></a>933 <a·id="abcae4cc76819db1d4c2d00b4a5b95b14"·name="abcae4cc76819db1d4c2d00b4a5b95b14"></a>
934 <h2·class="memtitle"><span·class="permalink"><a·href="#abcae4cc76819db1d4c2d00b4a5b95b14">&#9670;&#160;</a></span>counts_format_</h2>934 <h2·class="memtitle"><span·class="permalink"><a·href="#abcae4cc76819db1d4c2d00b4a5b95b14">&#9670;&#160;</a></span>counts_format_</h2>
  
935 <div·class="memitem">935 <div·class="memitem">
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951 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>951 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
952 ··</tr>952 ··</tr>
953 </table>953 </table>
954 </div><div·class="memdoc">954 </div><div·class="memdoc">
  
955 <p>The·format·of·the·counts·line.·</p>955 <p>The·format·of·the·counts·line.·</p>
  
956 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d53/a01262_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d3/d53/a01262_source.html">MOLFile.h</a>.</p>956 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">MOLFile.h</a>.</p>
  
957 </div>957 </div>
958 </div>958 </div>
959 </div><!--·contents·-->959 </div><!--·contents·-->
960 <!--·start·footer·part·-->960 <!--·start·footer·part·-->
961 <hr·class="footer"/><address·class="footer"><small>961 <hr·class="footer"/><address·class="footer"><small>
962 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8962 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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./usr/share/doc/libball1.5/html/BALL/d8/d56/a07846.html
    
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/db4/a07843.html">List·of·all·members</a>··</div>77 <a·href="../../da/db4/a07843.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricObjectSelectionMessage·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricObjectSelectionMessage·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::GeometricObjectSelectionMessage:</div>83 Inheritance·diagram·for·BALL::VIEW::GeometricObjectSelectionMessage:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d8/d56/a07846.png"·usemap="#BALL::VIEW::GeometricObjectSelectionMessage_map"·alt=""/>86 ··<img·src="../../d8/d56/a07846.png"·usemap="#BALL::VIEW::GeometricObjectSelectionMessage_map"·alt=""/>
87 ··<map·id="BALL::VIEW::GeometricObjectSelectionMessage_map"·name="BALL::VIEW::GeometricObjectSelectionMessage_map">87 ··<map·id="BALL::VIEW::GeometricObjectSelectionMessage_map"·name="BALL::VIEW::GeometricObjectSelectionMessage_map">
88 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,283,24"/>88 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,283,24"/>
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127 <tr·class="memdesc:a639cd371dbaf32bb1aa7060029317010"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.··<br·/></td></tr>127 <tr·class="memdesc:a639cd371dbaf32bb1aa7060029317010"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.··<br·/></td></tr>
128 <tr·class="separator:a639cd371dbaf32bb1aa7060029317010"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a639cd371dbaf32bb1aa7060029317010"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p><a·class="el"·href="../../d8/d56/a07846.html">GeometricObjectSelectionMessage</a>·class.·</p><dl·class="section·user"><dt></dt><dd>Sent·by·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·after·picking·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>.·</dd></dl>131 <div·class="textblock"><p><a·class="el"·href="../../d8/d56/a07846.html">GeometricObjectSelectionMessage</a>·class.·</p><dl·class="section·user"><dt></dt><dd>Sent·by·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·after·picking·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>.·</dd></dl>
132 <dl·class="section·user"><dt></dt><dd>Caught·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·</dd></dl>132 <dl·class="section·user"><dt></dt><dd>Caught·by·<a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>.·</dd></dl>
  
133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>133 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00516">516</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>134 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
135 <a·id="a34271a218f01b5cf61ceaaebf3e3d0cb"·name="a34271a218f01b5cf61ceaaebf3e3d0cb"></a>135 <a·id="a34271a218f01b5cf61ceaaebf3e3d0cb"·name="a34271a218f01b5cf61ceaaebf3e3d0cb"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a34271a218f01b5cf61ceaaebf3e3d0cb">&#9670;&#160;</a></span>GeometricObjectSelectionMessage()</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a34271a218f01b5cf61ceaaebf3e3d0cb">&#9670;&#160;</a></span>GeometricObjectSelectionMessage()</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
138 <div·class="memproto">138 <div·class="memproto">
139 ······<table·class="memname">139 ······<table·class="memname">
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198 ··<td·class="mlabels-right">198 ··<td·class="mlabels-right">
199 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>199 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
200 ··</tr>200 ··</tr>
201 </table>201 </table>
202 </div><div·class="memdoc">202 </div><div·class="memdoc">
203 <p>Non-mutable·inspection·of·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>203 <p>Non-mutable·inspection·of·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00545">545</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00545">545</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
205 </div>205 </div>
206 </div>206 </div>
207 <a·id="a639cd371dbaf32bb1aa7060029317010"·name="a639cd371dbaf32bb1aa7060029317010"></a>207 <a·id="a639cd371dbaf32bb1aa7060029317010"·name="a639cd371dbaf32bb1aa7060029317010"></a>
208 <h2·class="memtitle"><span·class="permalink"><a·href="#a639cd371dbaf32bb1aa7060029317010">&#9670;&#160;</a></span>isSelected()</h2>208 <h2·class="memtitle"><span·class="permalink"><a·href="#a639cd371dbaf32bb1aa7060029317010">&#9670;&#160;</a></span>isSelected()</h2>
  
209 <div·class="memitem">209 <div·class="memitem">
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227 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>227 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
228 ··</tr>228 ··</tr>
229 </table>229 </table>
230 </div><div·class="memdoc">230 </div><div·class="memdoc">
  
231 <p>Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.·</p>231 <p>Query·if·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·are·selected·or·deselected.·</p>
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00553">553</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
233 </div>233 </div>
234 </div>234 </div>
235 <a·id="ab92b3908bd70e8726c857122fa3d7fea"·name="ab92b3908bd70e8726c857122fa3d7fea"></a>235 <a·id="ab92b3908bd70e8726c857122fa3d7fea"·name="ab92b3908bd70e8726c857122fa3d7fea"></a>
236 <h2·class="memtitle"><span·class="permalink"><a·href="#ab92b3908bd70e8726c857122fa3d7fea">&#9670;&#160;</a></span>setSelected()</h2>236 <h2·class="memtitle"><span·class="permalink"><a·href="#ab92b3908bd70e8726c857122fa3d7fea">&#9670;&#160;</a></span>setSelected()</h2>
  
237 <div·class="memitem">237 <div·class="memitem">
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257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
258 ··</tr>258 ··</tr>
259 </table>259 </table>
260 </div><div·class="memdoc">260 </div><div·class="memdoc">
  
261 <p>Set·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>'s·to·be·selected·or·deselected.·</p>261 <p>Set·the·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>'s·to·be·selected·or·deselected.·</p>
  
262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00549">549</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00549">549</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
263 </div>263 </div>
264 </div>264 </div>
265 <a·id="a5f086ef8556b9f0eca389eb5257879ac"·name="a5f086ef8556b9f0eca389eb5257879ac"></a>265 <a·id="a5f086ef8556b9f0eca389eb5257879ac"·name="a5f086ef8556b9f0eca389eb5257879ac"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f086ef8556b9f0eca389eb5257879ac">&#9670;&#160;</a></span>setSelection()</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f086ef8556b9f0eca389eb5257879ac">&#9670;&#160;</a></span>setSelection()</h2>
  
267 <div·class="memitem">267 <div·class="memitem">
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286 ··<td·class="mlabels-right">286 ··<td·class="mlabels-right">
287 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>287 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
288 ··</tr>288 ··</tr>
289 </table>289 </table>
290 </div><div·class="memdoc">290 </div><div·class="memdoc">
291 <p>Change·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·The·selection·list·will·be·copied·from·the·given·list.·</p>291 <p>Change·the·selection·of·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·The·selection·list·will·be·copied·from·the·given·list.·</p>
  
292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00540">540</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00540">540</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
293 </div>293 </div>
294 </div>294 </div>
295 </div><!--·contents·-->295 </div><!--·contents·-->
296 <!--·start·footer·part·-->296 <!--·start·footer·part·-->
297 <hr·class="footer"/><address·class="footer"><small>297 <hr·class="footer"/><address·class="footer"><small>
298 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8298 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
80 <a·href="../../d6/da1/a07723.html">List·of·all·members</a>··</div>80 <a·href="../../d6/da1/a07723.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetClippingPlane·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetClippingPlane·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d4/da8/a00437_source.html">BALL/VIEW/DIALOGS/setClippingPlane.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/VIEW/DIALOGS/setClippingPlane.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::SetClippingPlane:</div>86 Inheritance·diagram·for·BALL::VIEW::SetClippingPlane:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d8/d58/a07726.png"·usemap="#BALL::VIEW::SetClippingPlane_map"·alt=""/>89 ··<img·src="../../d8/d58/a07726.png"·usemap="#BALL::VIEW::SetClippingPlane_map"·alt=""/>
90 ··<map·id="BALL::VIEW::SetClippingPlane_map"·name="BALL::VIEW::SetClippingPlane_map">90 ··<map·id="BALL::VIEW::SetClippingPlane_map"·name="BALL::VIEW::SetClippingPlane_map">
91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,182,24"/>91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,182,24"/>
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109 Public·Attributes</h2></td></tr>109 Public·Attributes</h2></td></tr>
110 <tr·class="memitem:ad617b9714081300ade36eb8d05fd98de"·id="r_ad617b9714081300ade36eb8d05fd98de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d58/a07726.html#ad617b9714081300ade36eb8d05fd98de">plane_</a></td></tr>110 <tr·class="memitem:ad617b9714081300ade36eb8d05fd98de"·id="r_ad617b9714081300ade36eb8d05fd98de"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d58/a07726.html#ad617b9714081300ade36eb8d05fd98de">plane_</a></td></tr>
111 <tr·class="separator:ad617b9714081300ade36eb8d05fd98de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:ad617b9714081300ade36eb8d05fd98de"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p>Dialog·to·set·a·clipping·plane·to·a·given·value·</p>114 <div·class="textblock"><p>Dialog·to·set·a·clipping·plane·to·a·given·value·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/da8/a00437_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d4/da8/a00437_source.html">setClippingPlane.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">setClippingPlane.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="ae8df8c5fdec693cd0f910d28b8a0549f"·name="ae8df8c5fdec693cd0f910d28b8a0549f"></a>117 <a·id="ae8df8c5fdec693cd0f910d28b8a0549f"·name="ae8df8c5fdec693cd0f910d28b8a0549f"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8df8c5fdec693cd0f910d28b8a0549f">&#9670;&#160;</a></span>SetClippingPlane()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8df8c5fdec693cd0f910d28b8a0549f">&#9670;&#160;</a></span>SetClippingPlane()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
121 ······<table·class="memname">121 ······<table·class="memname">
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201 ······<table·class="memname">201 ······<table·class="memname">
202 ········<tr>202 ········<tr>
203 ··········<td·class="memname"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>*·BALL::VIEW::SetClippingPlane::plane_</td>203 ··········<td·class="memname"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>*·BALL::VIEW::SetClippingPlane::plane_</td>
204 ········</tr>204 ········</tr>
205 ······</table>205 ······</table>
206 </div><div·class="memdoc">206 </div><div·class="memdoc">
  
207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/da8/a00437_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d4/da8/a00437_source.html">setClippingPlane.h</a>.</p>207 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d35/a01184_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d1/d35/a01184_source.html">setClippingPlane.h</a>.</p>
  
208 </div>208 </div>
209 </div>209 </div>
210 </div><!--·contents·-->210 </div><!--·contents·-->
211 <!--·start·footer·part·-->211 <!--·start·footer·part·-->
212 <hr·class="footer"/><address·class="footer"><small>212 <hr·class="footer"/><address·class="footer"><small>
213 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8213 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d8/db2/a06391.html">List·of·all·members</a>··</div>80 <a·href="../../d8/db2/a06391.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::GridedMM·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::GridedMM·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a02054_source.html">BALL/SCORING/FUNCTIONS/gridedMM.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4e/a01991_source.html">BALL/SCORING/FUNCTIONS/gridedMM.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::GridedMM:</div>86 Inheritance·diagram·for·BALL::GridedMM:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d8/d59/a06394.png"·usemap="#BALL::GridedMM_map"·alt=""/>89 ··<img·src="../../d8/d59/a06394.png"·usemap="#BALL::GridedMM_map"·alt=""/>
90 ··<map·id="BALL::GridedMM_map"·name="BALL::GridedMM_map">90 ··<map·id="BALL::GridedMM_map"·name="BALL::GridedMM_map">
91 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>91 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>
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485 <tr·class="separator:a3d0f39c50799112015bc203a735a9f73·inherit·pub_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>485 <tr·class="separator:a3d0f39c50799112015bc203a735a9f73·inherit·pub_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
486 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>486 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>
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488 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>488 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
489 </table>489 </table>
490 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>490 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
491 <div·class="textblock">491 <div·class="textblock">
492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a02054_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/d38/a02054_source.html">gridedMM.h</a>.</p>492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4e/a01991_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d3/d4e/a01991_source.html">gridedMM.h</a>.</p>
493 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>493 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
494 <a·id="ad14af2db167abc61a08b769a67fe7783"·name="ad14af2db167abc61a08b769a67fe7783"></a>494 <a·id="ad14af2db167abc61a08b769a67fe7783"·name="ad14af2db167abc61a08b769a67fe7783"></a>
495 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14af2db167abc61a08b769a67fe7783">&#9670;&#160;</a></span>GridedMM()·<span·class="overload">[1/2]</span></h2>495 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14af2db167abc61a08b769a67fe7783">&#9670;&#160;</a></span>GridedMM()·<span·class="overload">[1/2]</span></h2>
  
496 <div·class="memitem">496 <div·class="memitem">
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656 ··</td>656 ··</td>
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658 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>658 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
659 ··</tr>659 ··</tr>
660 </table>660 </table>
661 </div><div·class="memdoc">661 </div><div·class="memdoc">
  
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664 </div>664 </div>
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666 <!--·start·footer·part·-->666 <!--·start·footer·part·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../dc/d23/a06511.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d23/a06511.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Pair6_12RDFIntegrator::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/SOLVATION/pair6_12RDFIntegrator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ad62c2684fdf71a2e531b0cc57bda7028"·id="r_ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#ad62c2684fdf71a2e531b0cc57bda7028">VERBOSITY</a></td></tr>86 <tr·class="memitem:ad62c2684fdf71a2e531b0cc57bda7028"·id="r_ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#ad62c2684fdf71a2e531b0cc57bda7028">VERBOSITY</a></td></tr>
87 <tr·class="separator:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ad62c2684fdf71a2e531b0cc57bda7028"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:af1a7f86be26ef5b1072a15219ad9bd3a"·id="r_af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#af1a7f86be26ef5b1072a15219ad9bd3a">METHOD</a></td></tr>88 <tr·class="memitem:af1a7f86be26ef5b1072a15219ad9bd3a"·id="r_af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#af1a7f86be26ef5b1072a15219ad9bd3a">METHOD</a></td></tr>
89 <tr·class="separator:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:af1a7f86be26ef5b1072a15219ad9bd3a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a9fab64a6f306c2106c0644e9ddc17035"·id="r_a9fab64a6f306c2106c0644e9ddc17035"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#a9fab64a6f306c2106c0644e9ddc17035">SAMPLES</a></td></tr>90 <tr·class="memitem:a9fab64a6f306c2106c0644e9ddc17035"·id="r_a9fab64a6f306c2106c0644e9ddc17035"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html#a9fab64a6f306c2106c0644e9ddc17035">SAMPLES</a></td></tr>
91 <tr·class="separator:a9fab64a6f306c2106c0644e9ddc17035"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a9fab64a6f306c2106c0644e9ddc17035"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="af1a7f86be26ef5b1072a15219ad9bd3a"·name="af1a7f86be26ef5b1072a15219ad9bd3a"></a>97 <a·id="af1a7f86be26ef5b1072a15219ad9bd3a"·name="af1a7f86be26ef5b1072a15219ad9bd3a"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#af1a7f86be26ef5b1072a15219ad9bd3a">&#9670;&#160;</a></span>METHOD</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#af1a7f86be26ef5b1072a15219ad9bd3a">&#9670;&#160;</a></span>METHOD</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·integration·method.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">Option::METHOD</a>·</dd></dl>117 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·integration·method.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a8355ac66baf1d3cf537233e8c97a7d4a">Option::METHOD</a>·</dd></dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="a9fab64a6f306c2106c0644e9ddc17035"·name="a9fab64a6f306c2106c0644e9ddc17035"></a>121 <a·id="a9fab64a6f306c2106c0644e9ddc17035"·name="a9fab64a6f306c2106c0644e9ddc17035"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fab64a6f306c2106c0644e9ddc17035">&#9670;&#160;</a></span>SAMPLES</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fab64a6f306c2106c0644e9ddc17035">&#9670;&#160;</a></span>SAMPLES</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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137 ··<td·class="mlabels-right">137 ··<td·class="mlabels-right">
138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>138 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
139 ··</tr>139 ··</tr>
140 </table>140 </table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
142 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·number·of·inetgartion·samples.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">Option::SAMPLES</a>·</dd></dl>142 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·number·of·inetgartion·samples.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#ae1c2eab9a90ffc6a4c4dd1c47793988d">Option::SAMPLES</a>·</dd></dl>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="ad62c2684fdf71a2e531b0cc57bda7028"·name="ad62c2684fdf71a2e531b0cc57bda7028"></a>146 <a·id="ad62c2684fdf71a2e531b0cc57bda7028"·name="ad62c2684fdf71a2e531b0cc57bda7028"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ad62c2684fdf71a2e531b0cc57bda7028">&#9670;&#160;</a></span>VERBOSITY</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ad62c2684fdf71a2e531b0cc57bda7028">&#9670;&#160;</a></span>VERBOSITY</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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162 ··<td·class="mlabels-right">162 ··<td·class="mlabels-right">
163 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>163 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
164 ··</tr>164 ··</tr>
165 </table>165 </table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
167 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">Option::VERBOSITY</a>·</dd></dl>167 <p><a·class="el"·href="../../d8/d63/a06514.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d44/a06510.html#a75869d6b1020a34b3014f64001058cea">Option::VERBOSITY</a>·</dd></dl>
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d51/a00017_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d4/d51/a00017_source.html">pair6_12RDFIntegrator.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dca/a01907_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/dca/a01907_source.html">pair6_12RDFIntegrator.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 </div><!--·contents·-->171 </div><!--·contents·-->
172 <!--·start·footer·part·-->172 <!--·start·footer·part·-->
173 <hr·class="footer"/><address·class="footer"><small>173 <hr·class="footer"/><address·class="footer"><small>
174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8174 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RepresentationMessage·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RepresentationMessage·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.··83 <p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.··
84 ·<a·href="../../d8/d6c/a07850.html#details">More...</a></p>84 ·<a·href="../../d8/d6c/a07850.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::RepresentationMessage:</div>87 Inheritance·diagram·for·BALL::VIEW::RepresentationMessage:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../d8/d6c/a07850.png"·usemap="#BALL::VIEW::RepresentationMessage_map"·alt=""/>90 ··<img·src="../../d8/d6c/a07850.png"·usemap="#BALL::VIEW::RepresentationMessage_map"·alt=""/>
91 ··<map·id="BALL::VIEW::RepresentationMessage_map"·name="BALL::VIEW::RepresentationMessage_map">91 ··<map·id="BALL::VIEW::RepresentationMessage_map"·name="BALL::VIEW::RepresentationMessage_map">
92 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>92 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,221,24"/>
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147 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>148 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
149 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>149 <tr·class="separator:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
150 </table>150 </table>
151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>151 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
152 <div·class="textblock"><p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p>152 <div·class="textblock"><p>Base·class·for·all·messages·concerning·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>.·</p>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00569">569</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00569">569</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
154 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>154 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
155 <a·id="a01decc94160ffa53705c630449e8ff14"·name="a01decc94160ffa53705c630449e8ff14"></a>155 <a·id="a01decc94160ffa53705c630449e8ff14"·name="a01decc94160ffa53705c630449e8ff14"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#a01decc94160ffa53705c630449e8ff14">&#9670;&#160;</a></span>RepresentationMessageType</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#a01decc94160ffa53705c630449e8ff14">&#9670;&#160;</a></span>RepresentationMessageType</h2>
  
157 <div·class="memitem">157 <div·class="memitem">
158 <div·class="memproto">158 <div·class="memproto">
159 ······<table·class="memname">159 ······<table·class="memname">
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183 </td></tr>183 </td></tr>
184 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"·name="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"></a>ADD_TO_GEOMETRIC_CONTROL&#160;</td><td·class="fielddoc"><p>Add·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·to·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>184 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"·name="a01decc94160ffa53705c630449e8ff14a098685fc84e37accf077673b92af371f"></a>ADD_TO_GEOMETRIC_CONTROL&#160;</td><td·class="fielddoc"><p>Add·a·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·to·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>
185 </td></tr>185 </td></tr>
186 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"·name="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"></a>UPDATE_PROPERTIES&#160;</td><td·class="fielddoc"><p>Update·properties·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·in·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>186 <tr><td·class="fieldname"><a·id="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"·name="a01decc94160ffa53705c630449e8ff14a111fdc78d7b8ccbf428a3d62c028c366"></a>UPDATE_PROPERTIES&#160;</td><td·class="fielddoc"><p>Update·properties·of·<a·class="el"·href="../../d6/de8/a07934.html">Representation</a>·in·<a·class="el"·href="../../da/da3/a08394.html">GeometricControl</a>,·but·don't·update·in·<a·class="el"·href="../../d6/d15/a08526.html">Scene</a>.·</p>
187 </td></tr>187 </td></tr>
188 </table>188 </table>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00574">574</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00574">574</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
190 </div>190 </div>
191 </div>191 </div>
192 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>192 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
193 <a·id="a0ce17144feb24c4a6255129ef2fcc399"·name="a0ce17144feb24c4a6255129ef2fcc399"></a>193 <a·id="a0ce17144feb24c4a6255129ef2fcc399"·name="a0ce17144feb24c4a6255129ef2fcc399"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce17144feb24c4a6255129ef2fcc399">&#9670;&#160;</a></span>RepresentationMessage()·<span·class="overload">[1/2]</span></h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a0ce17144feb24c4a6255129ef2fcc399">&#9670;&#160;</a></span>RepresentationMessage()·<span·class="overload">[1/2]</span></h2>
  
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282 ··</td>282 ··</td>
283 ··<td·class="mlabels-right">283 ··<td·class="mlabels-right">
284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
285 ··</tr>285 ··</tr>
286 </table>286 </table>
287 </div><div·class="memdoc">287 </div><div·class="memdoc">
  
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00618">618</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00618">618</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <a·id="a3fc34af75de526b804780141dfd8ae29"·name="a3fc34af75de526b804780141dfd8ae29"></a>291 <a·id="a3fc34af75de526b804780141dfd8ae29"·name="a3fc34af75de526b804780141dfd8ae29"></a>
292 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fc34af75de526b804780141dfd8ae29">&#9670;&#160;</a></span>getType()</h2>292 <h2·class="memtitle"><span·class="permalink"><a·href="#a3fc34af75de526b804780141dfd8ae29">&#9670;&#160;</a></span>getType()</h2>
  
293 <div·class="memitem">293 <div·class="memitem">
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309 ··</td>309 ··</td>
310 ··<td·class="mlabels-right">310 ··<td·class="mlabels-right">
311 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>311 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
312 ··</tr>312 ··</tr>
313 </table>313 </table>
314 </div><div·class="memdoc">314 </div><div·class="memdoc">
  
315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00625">625</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>315 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00625">625</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
316 </div>316 </div>
317 </div>317 </div>
318 <a·id="ac7123f99dbb53f36e33283a93034c7cc"·name="ac7123f99dbb53f36e33283a93034c7cc"></a>318 <a·id="ac7123f99dbb53f36e33283a93034c7cc"·name="ac7123f99dbb53f36e33283a93034c7cc"></a>
319 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7123f99dbb53f36e33283a93034c7cc">&#9670;&#160;</a></span>setRepresentation()</h2>319 <h2·class="memtitle"><span·class="permalink"><a·href="#ac7123f99dbb53f36e33283a93034c7cc">&#9670;&#160;</a></span>setRepresentation()</h2>
  
320 <div·class="memitem">320 <div·class="memitem">
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337 ··</td>337 ··</td>
338 ··<td·class="mlabels-right">338 ··<td·class="mlabels-right">
339 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>339 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
340 ··</tr>340 ··</tr>
341 </table>341 </table>
342 </div><div·class="memdoc">342 </div><div·class="memdoc">
  
343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
344 </div>344 </div>
345 </div>345 </div>
346 <a·id="a7ab64cccf4d12e335694c17210382625"·name="a7ab64cccf4d12e335694c17210382625"></a>346 <a·id="a7ab64cccf4d12e335694c17210382625"·name="a7ab64cccf4d12e335694c17210382625"></a>
347 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab64cccf4d12e335694c17210382625">&#9670;&#160;</a></span>setType()</h2>347 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ab64cccf4d12e335694c17210382625">&#9670;&#160;</a></span>setType()</h2>
  
348 <div·class="memitem">348 <div·class="memitem">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
79 <a·href="../../df/d42/a03623.html">List·of·all·members</a>··</div>79 <a·href="../../df/d42/a03623.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Conformation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Conformation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ad5ad515c2b359baff33d635dd11a18ae"·id="r_ad5ad515c2b359baff33d635dd11a18ae"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad5ad515c2b359baff33d635dd11a18ae">Conformation</a>·()</td></tr>87 <tr·class="memitem:ad5ad515c2b359baff33d635dd11a18ae"·id="r_ad5ad515c2b359baff33d635dd11a18ae"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad5ad515c2b359baff33d635dd11a18ae">Conformation</a>·()</td></tr>
88 <tr·class="separator:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ad5ad515c2b359baff33d635dd11a18ae"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ad86b02a2c74d1ba64876545d7294f8a5"·id="r_ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad86b02a2c74d1ba64876545d7294f8a5">Conformation</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*parent,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*conformation_molecule)</td></tr>89 <tr·class="memitem:ad86b02a2c74d1ba64876545d7294f8a5"·id="r_ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#ad86b02a2c74d1ba64876545d7294f8a5">Conformation</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*parent,·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*conformation_molecule)</td></tr>
90 <tr·class="separator:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ad86b02a2c74d1ba64876545d7294f8a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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125 <tr·class="memitem:a4d5ae7e2954624f84b0c0bcfade63e4d"·id="r_a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#a4d5ae7e2954624f84b0c0bcfade63e4d">generateHash</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*mol,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hash)</td></tr>125 <tr·class="memitem:a4d5ae7e2954624f84b0c0bcfade63e4d"·id="r_a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d71/a03626.html#a4d5ae7e2954624f84b0c0bcfade63e4d">generateHash</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*mol,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;hash)</td></tr>
126 <tr·class="separator:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a4d5ae7e2954624f84b0c0bcfade63e4d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·class.</p>129 <div·class="textblock"><p><a·class="el"·href="../../d8/d71/a03626.html">Conformation</a>·class.</p>
130 <p>This·class·represents·conformations·of·a·molecule·by·simply·storing·the·atom·positions·(Vector3)·of·all·atoms·that·deviate·significantly·from·the·resp.·atom·positions·of·the·base·conformation·(·=·parent·molecule).·Stored·conformations·can·be·applied·to·the·parent·molecule·to·reconstruct·the·conformer·of·the·molecule.·</p>130 <p>This·class·represents·conformations·of·a·molecule·by·simply·storing·the·atom·positions·(Vector3)·of·all·atoms·that·deviate·significantly·from·the·resp.·atom·positions·of·the·base·conformation·(·=·parent·molecule).·Stored·conformations·can·be·applied·to·the·parent·molecule·to·reconstruct·the·conformer·of·the·molecule.·</p>
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01163_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d6/d27/a01163_source.html">conformation.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">conformation.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="ad5ad515c2b359baff33d635dd11a18ae"·name="ad5ad515c2b359baff33d635dd11a18ae"></a>133 <a·id="ad5ad515c2b359baff33d635dd11a18ae"·name="ad5ad515c2b359baff33d635dd11a18ae"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5ad515c2b359baff33d635dd11a18ae">&#9670;&#160;</a></span>Conformation()·<span·class="overload">[1/3]</span></h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5ad515c2b359baff33d635dd11a18ae">&#9670;&#160;</a></span>Conformation()·<span·class="overload">[1/3]</span></h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 ······<table·class="memname">137 ······<table·class="memname">
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
 69 <div·id="nav-path"·class="navpath">
 70 ··<ul>
 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#typedef-members">Typedefs</a>··</div>
71 ··<div·class="headertitle"><div·class="title">view.doc·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">contour.h·File·Reference</div></div>
72 </div><!--header-->80 </div><!--header-->
73 <div·class="contents">81 <div·class="contents">
 82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dd/dd8/a00719_source.html">BALL/DATATYPE/contourLine.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
 85 </div>
 86 <p><a·href="../../d8/d73/a00674_source.html">Go·to·the·source·code·of·this·file.</a></p>
 87 <table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 89 Classes</h2></td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d96/a03402.html">BALL::TContour&lt;·T·&gt;</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 94 Namespaces</h2></td></tr>
 95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 99 Typedefs</h2></td></tr>
 100 <tr·class="memitem:ga0028f774bd82ececc28738aabdd2d82b"·id="r_ga0028f774bd82ececc28738aabdd2d82b"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../df/d96/a03402.html">TContour</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td></tr>
 101 <tr·class="separator:ga0028f774bd82ececc28738aabdd2d82b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 </table>
74 </div><!--·contents·-->103 </div><!--·contents·-->
75 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
76 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/d65/a03423.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d65/a03423.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::UnconnectedGraphException·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GRAPH::UnconnectedGraphException·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::GRAPH::UnconnectedGraphException:</div>84 Inheritance·diagram·for·BALL::GRAPH::UnconnectedGraphException:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d75/a03426.png"·usemap="#BALL::GRAPH::UnconnectedGraphException_map"·alt=""/>87 ··<img·src="../../d8/d75/a03426.png"·usemap="#BALL::GRAPH::UnconnectedGraphException_map"·alt=""/>
88 ··<map·id="BALL::GRAPH::UnconnectedGraphException_map"·name="BALL::GRAPH::UnconnectedGraphException_map">88 ··<map·id="BALL::GRAPH::UnconnectedGraphException_map"·name="BALL::GRAPH::UnconnectedGraphException_map">
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141 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>141 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
142 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p>Is·thrown·if·a·function,·which·operates·on·connected·graphs,·is·called·with·a·unconnected·graph.·</p>145 <div·class="textblock"><p>Is·thrown·if·a·function,·which·operates·on·connected·graphs,·is·called·with·a·unconnected·graph.·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="a8805d7a872251570341f35172d313361"·name="a8805d7a872251570341f35172d313361"></a>148 <a·id="a8805d7a872251570341f35172d313361"·name="a8805d7a872251570341f35172d313361"></a>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../db/d5b/a05007.html">List·of·all·members</a>··</div>78 <a·href="../../db/d5b/a05007.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAFFTypeProcessor::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/daf/a01568_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d45/a00011_source.html">BALL/MOLMEC/AMBER/GAFFTypeProcessor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a9047319a2c3e2f68fb80486048964845"·id="r_a9047319a2c3e2f68fb80486048964845"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">ATOMTYPE_FILENAME</a></td></tr>86 <tr·class="memitem:a9047319a2c3e2f68fb80486048964845"·id="r_a9047319a2c3e2f68fb80486048964845"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#a9047319a2c3e2f68fb80486048964845">ATOMTYPE_FILENAME</a></td></tr>
87 <tr·class="memdesc:a9047319a2c3e2f68fb80486048964845"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<br·/></td></tr>87 <tr·class="memdesc:a9047319a2c3e2f68fb80486048964845"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">path·to·the·file·containing·the·atom·type·definitions··<br·/></td></tr>
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89 <tr·class="memitem:ad34eb87a6fd5ba50b552d2d20808f034"·id="r_ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>89 <tr·class="memitem:ad34eb87a6fd5ba50b552d2d20808f034"·id="r_ad34eb87a6fd5ba50b552d2d20808f034"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d79/a05010.html#ad34eb87a6fd5ba50b552d2d20808f034">GAFF_ATOMTYPE_POSTPROCESSING</a></td></tr>
90 <tr·class="memdesc:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<br·/></td></tr>90 <tr·class="memdesc:ad34eb87a6fd5ba50b552d2d20808f034"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off··<br·/></td></tr>
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92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a9047319a2c3e2f68fb80486048964845"·name="a9047319a2c3e2f68fb80486048964845"></a>97 <a·id="a9047319a2c3e2f68fb80486048964845"·name="a9047319a2c3e2f68fb80486048964845"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a9047319a2c3e2f68fb80486048964845">&#9670;&#160;</a></span>ATOMTYPE_FILENAME</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a9047319a2c3e2f68fb80486048964845">&#9670;&#160;</a></span>ATOMTYPE_FILENAME</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p>path·to·the·file·containing·the·atom·type·definitions·</p>117 <p>path·to·the·file·containing·the·atom·type·definitions·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
119 </div>119 </div>
120 </div>120 </div>
121 <a·id="ad34eb87a6fd5ba50b552d2d20808f034"·name="ad34eb87a6fd5ba50b552d2d20808f034"></a>121 <a·id="ad34eb87a6fd5ba50b552d2d20808f034"·name="ad34eb87a6fd5ba50b552d2d20808f034"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad34eb87a6fd5ba50b552d2d20808f034">&#9670;&#160;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#ad34eb87a6fd5ba50b552d2d20808f034">&#9670;&#160;</a></span>GAFF_ATOMTYPE_POSTPROCESSING</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
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139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>143 <p>switch·cleanup·of·GAFF·types·(cc=&gt;cd,·...)·on·or·off·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/daf/a01568_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../da/daf/a01568_source.html">GAFFTypeProcessor.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d45/a00011_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../da/d45/a00011_source.html">GAFFTypeProcessor.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
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148 <!--·start·footer·part·-->148 <!--·start·footer·part·-->
149 <hr·class="footer"/><address·class="footer"><small>149 <hr·class="footer"/><address·class="footer"><small>
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98 </div><h2·class="groupheader">Member·Function·Documentation</h2>98 </div><h2·class="groupheader">Member·Function·Documentation</h2>
99 <a·id="a6e00e00fc8c756d811e237cff55c0b42"·name="a6e00e00fc8c756d811e237cff55c0b42"></a>99 <a·id="a6e00e00fc8c756d811e237cff55c0b42"·name="a6e00e00fc8c756d811e237cff55c0b42"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e00e00fc8c756d811e237cff55c0b42">&#9670;&#160;</a></span>operator()()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e00e00fc8c756d811e237cff55c0b42">&#9670;&#160;</a></span>operator()()</h2>
  
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102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>125 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
126 ··</tr>126 ··</tr>
127 </table>127 </table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d4/d21/a06751.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d21/a06751.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPConfig_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPConfig_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ada044cd0650c31aefa538222b1622c01"·id="r_ada044cd0650c31aefa538222b1622c01"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#ada044cd0650c31aefa538222b1622c01">DPConfig_</a>·()</td></tr>87 <tr·class="memitem:ada044cd0650c31aefa538222b1622c01"·id="r_ada044cd0650c31aefa538222b1622c01"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#ada044cd0650c31aefa538222b1622c01">DPConfig_</a>·()</td></tr>
88 <tr·class="separator:ada044cd0650c31aefa538222b1622c01"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ada044cd0650c31aefa538222b1622c01"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a2f5f7ed3aa36ea92d9753a81b87b247e"·id="r_a2f5f7ed3aa36ea92d9753a81b87b247e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#a2f5f7ed3aa36ea92d9753a81b87b247e">DPConfig_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../d2/d08/a02148.html#ga66b7bde1348f03824bb0af435d93b9a0">atoms</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../da/da2/a02217.html#ae0922b098f90fcd9f081df300bf9461c">bonds</a>)</td></tr>89 <tr·class="memitem:a2f5f7ed3aa36ea92d9753a81b87b247e"·id="r_a2f5f7ed3aa36ea92d9753a81b87b247e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#a2f5f7ed3aa36ea92d9753a81b87b247e">DPConfig_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../d2/d08/a02148.html#ga66b7bde1348f03824bb0af435d93b9a0">atoms</a>,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·<a·class="el"·href="../../da/da2/a02217.html#ae0922b098f90fcd9f081df300bf9461c">bonds</a>)</td></tr>
90 <tr·class="separator:a2f5f7ed3aa36ea92d9753a81b87b247e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a2f5f7ed3aa36ea92d9753a81b87b247e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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119 <tr·class="separator:afe366ff52275d7c29378d443c36b6ba0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:afe366ff52275d7c29378d443c36b6ba0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 <tr·class="memitem:a681d0113ae7102ace96d6d27722d6057"·id="r_a681d0113ae7102ace96d6d27722d6057"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#a681d0113ae7102ace96d6d27722d6057">bond_assignments</a></td></tr>120 <tr·class="memitem:a681d0113ae7102ace96d6d27722d6057"·id="r_a681d0113ae7102ace96d6d27722d6057"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a06754.html#a681d0113ae7102ace96d6d27722d6057">bond_assignments</a></td></tr>
121 <tr·class="separator:a681d0113ae7102ace96d6d27722d6057"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a681d0113ae7102ace96d6d27722d6057"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p>A·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·is·an·entry·in·a·dynamic·programming·table.·It·holds·the·current·bond-order·assignments,·and·the·valences,·which·were·consumed·after·forgetting·some·bonds·in·forget-nodes.·Each·DPConfig·belongs·to·just·one·node·in·the·nice·tree·decomposition.·So·it·contains·just·the·valences·and·bondvalues·of·the·atoms·and·bonds·in·the·bag.·DPConfigs·are·computed·in·Leaf-nodes·or·by·one·(or·two)·ancestor·tables·by·forgetting,·introducing·or·merging·their·entries.·So·even·if·a·DPConfig·is·empty·(as·in·the·root·table),·you·can·get·the·assignment·of·all·ancestors·by·backtracking·the·computing·of·this·DPConfig.·</p>124 <div·class="textblock"><p>A·<a·class="el"·href="../../d8/d89/a06754.html">DPConfig_</a>·is·an·entry·in·a·dynamic·programming·table.·It·holds·the·current·bond-order·assignments,·and·the·valences,·which·were·consumed·after·forgetting·some·bonds·in·forget-nodes.·Each·DPConfig·belongs·to·just·one·node·in·the·nice·tree·decomposition.·So·it·contains·just·the·valences·and·bondvalues·of·the·atoms·and·bonds·in·the·bag.·DPConfigs·are·computed·in·Leaf-nodes·or·by·one·(or·two)·ancestor·tables·by·forgetting,·introducing·or·merging·their·entries.·So·even·if·a·DPConfig·is·empty·(as·in·the·root·table),·you·can·get·the·assignment·of·all·ancestors·by·backtracking·the·computing·of·this·DPConfig.·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00220">220</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00220">220</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
127 <a·id="ada044cd0650c31aefa538222b1622c01"·name="ada044cd0650c31aefa538222b1622c01"></a>127 <a·id="ada044cd0650c31aefa538222b1622c01"·name="ada044cd0650c31aefa538222b1622c01"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#ada044cd0650c31aefa538222b1622c01">&#9670;&#160;</a></span>DPConfig_()·<span·class="overload">[1/4]</span></h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#ada044cd0650c31aefa538222b1622c01">&#9670;&#160;</a></span>DPConfig_()·<span·class="overload">[1/4]</span></h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 ······<table·class="memname">131 ······<table·class="memname">
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246 ··<td·class="mlabels-right">246 ··<td·class="mlabels-right">
247 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>247 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
248 ··</tr>248 ··</tr>
249 </table>249 </table>
250 </div><div·class="memdoc">250 </div><div·class="memdoc">
251 <p>Builds·a·new·DPConfig·and·initialize·its·valences·and·bond-values·with·the·values·which·are·iterated·by·the·given·iterators·</p>251 <p>Builds·a·new·DPConfig·and·initialize·its·valences·and·bond-values·with·the·values·which·are·iterated·by·the·given·iterators·</p>
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00248">248</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
253 </div>253 </div>
254 </div>254 </div>
255 <h2·class="groupheader">Member·Function·Documentation</h2>255 <h2·class="groupheader">Member·Function·Documentation</h2>
256 <a·id="aaf2560646aa69cba90e473e1f2f7b1aa"·name="aaf2560646aa69cba90e473e1f2f7b1aa"></a>256 <a·id="aaf2560646aa69cba90e473e1f2f7b1aa"·name="aaf2560646aa69cba90e473e1f2f7b1aa"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#aaf2560646aa69cba90e473e1f2f7b1aa">&#9670;&#160;</a></span>compare()</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#aaf2560646aa69cba90e473e1f2f7b1aa">&#9670;&#160;</a></span>compare()</h2>
  
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446 ········<tr>446 ········<tr>
447 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>&gt;·BALL::FPTBondOrderStrategy::DPConfig_::bond_assignments</td>447 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>&gt;·BALL::FPTBondOrderStrategy::DPConfig_::bond_assignments</td>
448 ········</tr>448 ········</tr>
449 ······</table>449 ······</table>
450 </div><div·class="memdoc">450 </div><div·class="memdoc">
451 <p>Holds·the·current·assigned·bond·values.·Every·time·a·new·bond·is·visited·in·an·introduce·node,·entries·for·each·possible·bond·value·of·this·bond·are·inserted·into·the·table.·Single·bonds·habe·a·bond·value·of·0,·double·bonds·have·the·bond·value·1·and·tripple·bonds·have·the·bond·value·2.·So·increasing·the·valences·means·adding·the·bond·value·+·1·(!)·to·the·valence·value.·</p>451 <p>Holds·the·current·assigned·bond·values.·Every·time·a·new·bond·is·visited·in·an·introduce·node,·entries·for·each·possible·bond·value·of·this·bond·are·inserted·into·the·table.·Single·bonds·habe·a·bond·value·of·0,·double·bonds·have·the·bond·value·1·and·tripple·bonds·have·the·bond·value·2.·So·increasing·the·valences·means·adding·the·bond·value·+·1·(!)·to·the·valence·value.·</p>
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00314">314</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00314">314</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
453 </div>453 </div>
454 </div>454 </div>
455 <a·id="afe366ff52275d7c29378d443c36b6ba0"·name="afe366ff52275d7c29378d443c36b6ba0"></a>455 <a·id="afe366ff52275d7c29378d443c36b6ba0"·name="afe366ff52275d7c29378d443c36b6ba0"></a>
456 <h2·class="memtitle"><span·class="permalink"><a·href="#afe366ff52275d7c29378d443c36b6ba0">&#9670;&#160;</a></span>consumed_valences</h2>456 <h2·class="memtitle"><span·class="permalink"><a·href="#afe366ff52275d7c29378d443c36b6ba0">&#9670;&#160;</a></span>consumed_valences</h2>
  
457 <div·class="memitem">457 <div·class="memitem">
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464 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d4/d24/a06742.html#a49fbd57a0ba6526d90f9c5f6cad25a1f">Valence</a>&gt;·BALL::FPTBondOrderStrategy::DPConfig_::consumed_valences</td>464 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d4/d24/a06742.html#a49fbd57a0ba6526d90f9c5f6cad25a1f">Valence</a>&gt;·BALL::FPTBondOrderStrategy::DPConfig_::consumed_valences</td>
465 ········</tr>465 ········</tr>
466 ······</table>466 ······</table>
467 </div><div·class="memdoc">467 </div><div·class="memdoc">
468 <p>Every·time·a·bond·is·forgotten,·the·consumed·valences·of·its·incident·vertices·are·increased·by·its·bond·value·+·1.·If·a·atom·is·forgotten,·it's·consumed·valences·holds·the·final·valence·assignment·of·this·atom.·</p>468 <p>Every·time·a·bond·is·forgotten,·the·consumed·valences·of·its·incident·vertices·are·increased·by·its·bond·value·+·1.·If·a·atom·is·forgotten,·it's·consumed·valences·holds·the·final·valence·assignment·of·this·atom.·</p>
  
469 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00305">305</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>469 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00305">305</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
470 </div>470 </div>
471 </div>471 </div>
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 82 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
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83 <p><a·href="../../d8/d8e/a00344_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/d8e/a00344_source.html">Go·to·the·source·code·of·this·file.</a></p>
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82 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/surfaceProcessor.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d8/d91/a00410_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d8/d91/a00410_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialDatabaseSegment·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::InitialDatabaseSegment·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
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106 </div>106 </div>
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119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::number</td>119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::InitialDatabaseSegment::number</td>
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121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
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78 <a·href="../../d3/d30/a06839.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d30/a06839.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ClearRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ClearRadiusProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ClearRadiusProcessor:</div>84 Inheritance·diagram·for·BALL::ClearRadiusProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/d97/a06842.png"·usemap="#BALL::ClearRadiusProcessor_map"·alt=""/>87 ··<img·src="../../d8/d97/a06842.png"·usemap="#BALL::ClearRadiusProcessor_map"·alt=""/>
88 ··<map·id="BALL::ClearRadiusProcessor_map"·name="BALL::ClearRadiusProcessor_map">88 ··<map·id="BALL::ClearRadiusProcessor_map"·name="BALL::ClearRadiusProcessor_map">
89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>89 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="0,56,286,80"/>
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124 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>125 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
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127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p>Clears·the·radius·of·all·atoms·</p>129 <div·class="textblock"><p>Clears·the·radius·of·all·atoms·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d66/a01721_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../db/d66/a01721_source.html">defaultProcessors.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">defaultProcessors.h</a>.</p>
131 </div><h2·class="groupheader">Member·Function·Documentation</h2>131 </div><h2·class="groupheader">Member·Function·Documentation</h2>
132 <a·id="a38545bc77e5aeced4ef7d732abbbe9a1"·name="a38545bc77e5aeced4ef7d732abbbe9a1"></a>132 <a·id="a38545bc77e5aeced4ef7d732abbbe9a1"·name="a38545bc77e5aeced4ef7d732abbbe9a1"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a38545bc77e5aeced4ef7d732abbbe9a1">&#9670;&#160;</a></span>operator()()</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a38545bc77e5aeced4ef7d732abbbe9a1">&#9670;&#160;</a></span>operator()()</h2>
  
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fresnoTypes.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">slickEnergy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../d8/d98/a02009_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d8/d98/a02009_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d28/a06274.html">BALL::FresnoTypes</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d8c/a06438.html">BALL::SLICKEnergy</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d41/a06442.html">BALL::SLICKEnergy::Option</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de6/a06446.html">BALL::SLICKEnergy::Default</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·connectedComponentsProcessor.h·File·Reference</title>8 <title>BALL:·peptideCapProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">connectedComponentsProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">peptideCapProcessor.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
84 <code>#include·&lt;boost/pending/disjoint_sets.hpp&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d3/d87/a00539_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/atomBijection.h</a>&gt;</code><br·/>
85 </div>88 </div>
86 <p><a·href="../../d8/d9c/a01733_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d8/d9c/a01733_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">90 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>92 Classes</h2></td></tr>
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91 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·the·connected·components·of·the·molecular·graph.··<a·href="../../d2/d8d/a06834.html#details">More...</a><br·/></td></tr>94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··<a·href="../../db/d66/a07010.html#details">More...</a><br·/></td></tr>
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96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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66 </div>66 </div>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">charmmTorsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">genes.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;vector&gt;</code><br·/>
 83 <code>#include·&lt;random&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/MOLMEC/PARAMETER/residueTorsions.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d8/daf/a01550_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d8/daf/a01550_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dda/a05042.html">BALL::CharmmTorsion</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html">BALL::GenericGene</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dae/a03754.html">BALL::DoubleGene</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d5f/a05046.html">BALL::CharmmTorsion::SingleCharmmTorsion</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d85/a03758.html">BALL::QuaternionGene</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table><table·class="memberdecls"> 
102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
103 Macros</h2></td></tr> 
104 <tr·class="memitem:afa806285ca09671166b3b0ae602d5bde"·id="r_afa806285ca09671166b3b0ae602d5bde"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/daf/a01550.html#afa806285ca09671166b3b0ae602d5bde">CHARMM_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr> 
105 <tr·class="memdesc:afa806285ca09671166b3b0ae602d5bde"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<br·/></td></tr> 
106 <tr·class="separator:afa806285ca09671166b3b0ae602d5bde"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 </table>100 </table>
108 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
109 <a·id="afa806285ca09671166b3b0ae602d5bde"·name="afa806285ca09671166b3b0ae602d5bde"></a> 
110 <h2·class="memtitle"><span·class="permalink"><a·href="#afa806285ca09671166b3b0ae602d5bde">&#9670;&#160;</a></span>CHARMM_TORSIONS_ENABLED</h2> 
  
111 <div·class="memitem"> 
112 <div·class="memproto"> 
113 ······<table·class="memname"> 
114 ········<tr> 
115 ··········<td·class="memname">#define·CHARMM_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td> 
116 ········</tr> 
117 ······</table> 
118 </div><div·class="memdoc"> 
  
119 <p>flag·to·enable·Torsions·</p> 
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">charmmTorsion.h</a>.</p> 
  
121 </div> 
122 </div> 
123 </div><!--·contents·-->101 </div><!--·contents·-->
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125 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
126 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/d49/a06411.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d49/a06411.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RandomEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RandomEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/randomEvaluation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/SCORING/FUNCTIONS/randomEvaluation.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::RandomEvaluation:</div>84 Inheritance·diagram·for·BALL::RandomEvaluation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/db0/a06414.png"·usemap="#BALL::RandomEvaluation_map"·alt=""/>87 ··<img·src="../../d8/db0/a06414.png"·usemap="#BALL::RandomEvaluation_map"·alt=""/>
88 ··<map·id="BALL::RandomEvaluation_map"·name="BALL::RandomEvaluation_map">88 ··<map·id="BALL::RandomEvaluation_map"·name="BALL::RandomEvaluation_map">
89 <area·href="../../d1/d03/a06386.html"·alt="BALL::EnergeticEvaluation"·shape="rect"·coords="0,0,162,24"/>89 <area·href="../../d1/d03/a06386.html"·alt="BALL::EnergeticEvaluation"·shape="rect"·coords="0,0,162,24"/>
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104 <tr·class="separator:a555ca0b2e407fc9306947b240159ad41·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a555ca0b2e407fc9306947b240159ad41·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"·id="r_a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a6bac4b9f138f391b4958d8c973a8bee8">~EnergeticEvaluation</a>·()··throw·()</td></tr>105 <tr·class="memitem:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"·id="r_a6bac4b9f138f391b4958d8c973a8bee8"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d03/a06386.html#a6bac4b9f138f391b4958d8c973a8bee8">~EnergeticEvaluation</a>·()··throw·()</td></tr>
106 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a6bac4b9f138f391b4958d8c973a8bee8·inherit·pub_methods_a06386"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p>A·basis·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>109 <div·class="textblock"><p>A·basis·class·for·energetic·evaluators·of·docking·results.·This·trivial·class·will·return·the·identity·scoring,·leaving·permutation·and·score·unchanged.·</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0a/a02015_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/d0a/a02015_source.html">randomEvaluation.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d2b/a01997_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d2b/a01997_source.html">randomEvaluation.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="aa87e1b6c55b0733eea6e5666ce68e49e"·name="aa87e1b6c55b0733eea6e5666ce68e49e"></a>112 <a·id="aa87e1b6c55b0733eea6e5666ce68e49e"·name="aa87e1b6c55b0733eea6e5666ce68e49e"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#aa87e1b6c55b0733eea6e5666ce68e49e">&#9670;&#160;</a></span>RandomEvaluation()</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#aa87e1b6c55b0733eea6e5666ce68e49e">&#9670;&#160;</a></span>RandomEvaluation()</h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d2b/a03095.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d2b/a03095.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IncompatibleIterators·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IncompatibleIterators·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::IncompatibleIterators:</div>84 Inheritance·diagram·for·BALL::Exception::IncompatibleIterators:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/db1/a03098.png"·usemap="#BALL::Exception::IncompatibleIterators_map"·alt=""/>87 ··<img·src="../../d8/db1/a03098.png"·usemap="#BALL::Exception::IncompatibleIterators_map"·alt=""/>
88 ··<map·id="BALL::Exception::IncompatibleIterators_map"·name="BALL::Exception::IncompatibleIterators_map">88 ··<map·id="BALL::Exception::IncompatibleIterators_map"·name="BALL::Exception::IncompatibleIterators_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,226,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Incompatible·iterator.·The·iterators·could·not·be·assigned·because·they·are·bound·to·different·containers.·</p>143 <div·class="textblock"><p>Incompatible·iterator.·The·iterators·could·not·be·assigned·because·they·are·bound·to·different·containers.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00279">279</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="acef6ab2cc9fa93041d9e63c6bbcc6183"·name="acef6ab2cc9fa93041d9e63c6bbcc6183"></a>146 <a·id="acef6ab2cc9fa93041d9e63c6bbcc6183"·name="acef6ab2cc9fa93041d9e63c6bbcc6183"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#acef6ab2cc9fa93041d9e63c6bbcc6183">&#9670;&#160;</a></span>IncompatibleIterators()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#acef6ab2cc9fa93041d9e63c6bbcc6183">&#9670;&#160;</a></span>IncompatibleIterators()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d11/a07683.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d11/a07683.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDirectoryModel·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginDirectoryModel·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::PluginDirectoryModel:</div>84 Inheritance·diagram·for·BALL::VIEW::PluginDirectoryModel:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/db1/a07686.png"·usemap="#BALL::VIEW::PluginDirectoryModel_map"·alt=""/>87 ··<img·src="../../d8/db1/a07686.png"·usemap="#BALL::VIEW::PluginDirectoryModel_map"·alt=""/>
88 ··<map·id="BALL::VIEW::PluginDirectoryModel_map"·name="BALL::VIEW::PluginDirectoryModel_map">88 ··<map·id="BALL::VIEW::PluginDirectoryModel_map"·name="BALL::VIEW::PluginDirectoryModel_map">
89 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,209,24"/>89 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,209,24"/>
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103 <tr·class="separator:a6a2723a8906bff67c7c68385d7c0d8ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a6a2723a8906bff67c7c68385d7c0d8ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 <tr·class="memitem:a293584478676a899754635efe3f3e89c"·id="r_a293584478676a899754635efe3f3e89c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db1/a07686.html#a293584478676a899754635efe3f3e89c">removeDirectory</a>·(const·QModelIndex·&amp;index)</td></tr>104 <tr·class="memitem:a293584478676a899754635efe3f3e89c"·id="r_a293584478676a899754635efe3f3e89c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db1/a07686.html#a293584478676a899754635efe3f3e89c">removeDirectory</a>·(const·QModelIndex·&amp;index)</td></tr>
105 <tr·class="separator:a293584478676a899754635efe3f3e89c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a293584478676a899754635efe3f3e89c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><p>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·current·plugin·directories·</p>108 <div·class="textblock"><p>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·current·plugin·directories·</p>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">pluginDialog.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">pluginDialog.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="a0328e3c1f8e59bdc2cd4cbd744e0b342"·name="a0328e3c1f8e59bdc2cd4cbd744e0b342"></a>111 <a·id="a0328e3c1f8e59bdc2cd4cbd744e0b342"·name="a0328e3c1f8e59bdc2cd4cbd744e0b342"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a0328e3c1f8e59bdc2cd4cbd744e0b342">&#9670;&#160;</a></span>PluginDirectoryModel()</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a0328e3c1f8e59bdc2cd4cbd744e0b342">&#9670;&#160;</a></span>PluginDirectoryModel()</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d6a/a07927.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d6a/a07927.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject:</div>84 Inheritance·diagram·for·BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/db8/a07930.png"·usemap="#BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·alt=""/>87 ··<img·src="../../d8/db8/a07930.png"·usemap="#BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·alt=""/>
88 ··<map·id="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·name="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map">88 ··<map·id="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map"·name="BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject_map">
89 <area·href="../../db/de7/a08366.html"·alt="BALL::VIEW::ColorTable"·shape="rect"·coords="0,56,351,80"/>89 <area·href="../../db/de7/a08366.html"·alt="BALL::VIEW::ColorTable"·shape="rect"·coords="0,56,351,80"/>
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105 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72"·id="r_a48687b5f319d20b47d936e0baf740b72"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>105 <tr·class="memitem:a48687b5f319d20b47d936e0baf740b72"·id="r_a48687b5f319d20b47d936e0baf740b72"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a48687b5f319d20b47d936e0baf740b72">setValue</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)=0</td></tr>
106 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<br·/></td></tr>106 <tr·class="memdesc:a48687b5f319d20b47d936e0baf740b72"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Overload·this·in·derived·classes!··<br·/></td></tr>
107 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a48687b5f319d20b47d936e0baf740b72"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock"><p>Base·class·for·the·more·sophisticated·GUI·elements·in·a·dialog,·to·support·reading·and·(re)storing·their·state.·Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p><dl·class="section·see"><dt>See·also</dt><dd>QColorTable·</dd></dl>110 <div·class="textblock"><p>Base·class·for·the·more·sophisticated·GUI·elements·in·a·dialog,·to·support·reading·and·(re)storing·their·state.·Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p><dl·class="section·see"><dt>See·also</dt><dd>QColorTable·</dd></dl>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">preferencesEntry.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9a/a00998_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d9/d9a/a00998_source.html">preferencesEntry.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a87801bfbcec6fd6ac31a2267c8b5d084"·name="a87801bfbcec6fd6ac31a2267c8b5d084"></a>113 <a·id="a87801bfbcec6fd6ac31a2267c8b5d084"·name="a87801bfbcec6fd6ac31a2267c8b5d084"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a87801bfbcec6fd6ac31a2267c8b5d084">&#9670;&#160;</a></span>ExtendedPreferencesObject()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a87801bfbcec6fd6ac31a2267c8b5d084">&#9670;&#160;</a></span>ExtendedPreferencesObject()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 <table·class="mlabels">117 <table·class="mlabels">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">preferencesEntry.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9a/a00998_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d9/d9a/a00998_source.html">preferencesEntry.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a5be921e3caaab4e19c0f2a9fbefc4e41"·name="a5be921e3caaab4e19c0f2a9fbefc4e41"></a>139 <a·id="a5be921e3caaab4e19c0f2a9fbefc4e41"·name="a5be921e3caaab4e19c0f2a9fbefc4e41"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5be921e3caaab4e19c0f2a9fbefc4e41">&#9670;&#160;</a></span>~ExtendedPreferencesObject()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a5be921e3caaab4e19c0f2a9fbefc4e41">&#9670;&#160;</a></span>~ExtendedPreferencesObject()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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157 ··</td>157 ··</td>
158 ··<td·class="mlabels-right">158 ··<td·class="mlabels-right">
159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
160 ··</tr>160 ··</tr>
161 </table>161 </table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d9a/a00218_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../dc/d9a/a00218_source.html">preferencesEntry.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9a/a00998_source.html#l00086">86</a>·of·file·<a·class="el"·href="../../d9/d9a/a00998_source.html">preferencesEntry.h</a>.</p>
  
164 </div>164 </div>
165 </div>165 </div>
166 <h2·class="groupheader">Member·Function·Documentation</h2>166 <h2·class="groupheader">Member·Function·Documentation</h2>
167 <a·id="a3dcdef1cf6333cc8514793e686c639eb"·name="a3dcdef1cf6333cc8514793e686c639eb"></a>167 <a·id="a3dcdef1cf6333cc8514793e686c639eb"·name="a3dcdef1cf6333cc8514793e686c639eb"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dcdef1cf6333cc8514793e686c639eb">&#9670;&#160;</a></span>getValue()</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a3dcdef1cf6333cc8514793e686c639eb">&#9670;&#160;</a></span>getValue()</h2>
  
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8 <title>BALL:·cubicSpline2D.h·File·Reference</title>8 <title>BALL:·molecularGraph.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li><li·class="navelem"><a·class="el"·href="../../dir_83d211f692a178865d0f66f95342537a.html">GRAPH</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
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76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">cubicSpline2D.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">molecularGraph.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;boost/graph/properties.hpp&gt;</code><br·/>
 83 <code>#include·&lt;boost/graph/graph_traits.hpp&gt;</code><br·/>
 84 <code>#include·&lt;boost/graph/adjacency_list.hpp&gt;</code><br·/>
 85 <code>#include·&lt;boost/graph/copy.hpp&gt;</code><br·/>
82 <code>#include·&lt;map&gt;</code><br·/>86 <code>#include·&lt;list&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/DATATYPE/GRAPH/graphAlgorithms.h</a>&gt;</code><br·/>
85 </div>89 </div>
86 <p><a·href="../../d8/db9/a00725_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d8/db9/a00725_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">91 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>93 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d4c/a04794.html">BALL::CubicSpline2D</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d60/a03446.html">BALL::MolecularGraph</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 </table><table·class="memberdecls">
 102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 103 Typedefs</h2></td></tr>
 104 <tr·class="memitem:ae95c572d6543bcc96d3a7f1d23fefc21"·id="r_ae95c572d6543bcc96d3a7f1d23fefc21"><td·class="memItemLeft"·align="right"·valign="top">typedef·boost::adjacency_list&lt;·boost::vecS,·boost::vecS,·boost::undirectedS,·boost::property&lt;·<a·class="el"·href="../../d6/d41/a02222.html#a87d27442ae5afaecf2a9e598fb446ac4">boost::vertex_atom_ptr_t</a>,·const·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*·&gt;,·boost::property&lt;·<a·class="el"·href="../../d6/d41/a02222.html#aab70a3b7e74ca0e899c132ea5a1e9915">boost::edge_bond_ptr_t</a>,·const·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae95c572d6543bcc96d3a7f1d23fefc21">BALL::MolecularGraphBase</a></td></tr>
 105 <tr·class="separator:ae95c572d6543bcc96d3a7f1d23fefc21"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:ab5f64eed0ff87ab278f0a399bd2a287f"·id="r_ab5f64eed0ff87ab278f0a399bd2a287f"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d7/d46/a03430.html">GRAPH::GraphTraits</a>&lt;·<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab5f64eed0ff87ab278f0a399bd2a287f">BALL::MolecularGraphTraits</a></td></tr>
 107 <tr·class="separator:ab5f64eed0ff87ab278f0a399bd2a287f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 108 <tr·class="memitem:a41de67525e16202132b86982c85979a5"·id="r_a41de67525e16202132b86982c85979a5"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d4/d60/a03446.html#a7e16ee57b094b2c0a24fa3550c60fe85">MolecularGraph::EditableGraph</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a41de67525e16202132b86982c85979a5">BALL::EditableMolecularGraph</a></td></tr>
 109 <tr·class="separator:a41de67525e16202132b86982c85979a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>110 </table>
98 </div><!--·contents·-->111 </div><!--·contents·-->
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75 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">MOPACOutputFile.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
80 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/KERNEL/chain.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d9/d82/a20353_source.html">BALL/KERNEL/global.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/KERNEL/nucleicAcid.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d5/d72/a00803_source.html">BALL/KERNEL/nucleotide.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/KERNEL/secondaryStructure.h</a>&gt;</code><br·/> 
94 <code>#include·&lt;<a·class="el"·href="../../d9/daf/a00830_source.html">BALL/KERNEL/selector.h</a>&gt;</code><br·/> 
95 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
96 </div>85 </div>
97 <p><a·href="../../d8/dbb/a00932_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d8/dbb/a00932_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 94 Namespaces</h2></td></tr>
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98 </div><!--·contents·-->98 </div><!--·contents·-->
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
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100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">evolutionaryDocking.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">fileObserver.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
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84 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../d8/dbf/a01109_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d8/dbf/a01109_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d5/d8c/a08591.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d8c/a08591.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CrystalInfo::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a14a219d49871dda02b4cb6ab116c8867"·id="r_a14a219d49871dda02b4cb6ab116c8867"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html#a14a219d49871dda02b4cb6ab116c8867">SPACE_GROUP_FILE</a></td></tr>86 <tr·class="memitem:a14a219d49871dda02b4cb6ab116c8867"·id="r_a14a219d49871dda02b4cb6ab116c8867"><td·class="memItemLeft"·align="right"·valign="top">static·const·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dc2/a08594.html#a14a219d49871dda02b4cb6ab116c8867">SPACE_GROUP_FILE</a></td></tr>
87 <tr·class="separator:a14a219d49871dda02b4cb6ab116c8867"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a14a219d49871dda02b4cb6ab116c8867"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../d8/dc2/a08594.html">Default</a>·Names·</p>90 <div·class="textblock"><p><a·class="el"·href="../../d8/dc2/a08594.html">Default</a>·Names·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">crystalInfo.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a14a219d49871dda02b4cb6ab116c8867"·name="a14a219d49871dda02b4cb6ab116c8867"></a>93 <a·id="a14a219d49871dda02b4cb6ab116c8867"·name="a14a219d49871dda02b4cb6ab116c8867"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a14a219d49871dda02b4cb6ab116c8867">&#9670;&#160;</a></span>SPACE_GROUP_FILE</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a14a219d49871dda02b4cb6ab116c8867">&#9670;&#160;</a></span>SPACE_GROUP_FILE</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p>The·default·filename·for·the·space·group·mappings·file·</p>114 <p>The·default·filename·for·the·space·group·mappings·file·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d87/a00689_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d1/d87/a00689_source.html">crystalInfo.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">crystalInfo.h</a>.</p>
  
116 </div>116 </div>
117 </div>117 </div>
118 </div><!--·contents·-->118 </div><!--·contents·-->
119 <!--·start·footer·part·-->119 <!--·start·footer·part·-->
120 <hr·class="footer"/><address·class="footer"><small>120 <hr·class="footer"/><address·class="footer"><small>
121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/de1/a08119.html">List·of·all·members</a>··</div>78 <a·href="../../db/de1/a08119.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SecondaryStructureColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SecondaryStructureColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::SecondaryStructureColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::SecondaryStructureColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/dc8/a08122.png"·usemap="#BALL::VIEW::SecondaryStructureColorProcessor_map"·alt=""/>87 ··<img·src="../../d8/dc8/a08122.png"·usemap="#BALL::VIEW::SecondaryStructureColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::SecondaryStructureColorProcessor_map"·name="BALL::VIEW::SecondaryStructureColorProcessor_map">88 ··<map·id="BALL::VIEW::SecondaryStructureColorProcessor_map"·name="BALL::VIEW::SecondaryStructureColorProcessor_map">
89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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228 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>228 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
229 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>229 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
230 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>230 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
231 </table>231 </table>
232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>232 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
233 <div·class="textblock"><p>Coloring·by·the·secondary·structure,·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·in·</p>233 <div·class="textblock"><p>Coloring·by·the·secondary·structure,·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·in·</p>
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00489">489</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00489">489</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>235 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
236 <a·id="a923a158d373228cd8ff5ebe5941d04bd"·name="a923a158d373228cd8ff5ebe5941d04bd"></a>236 <a·id="a923a158d373228cd8ff5ebe5941d04bd"·name="a923a158d373228cd8ff5ebe5941d04bd"></a>
237 <h2·class="memtitle"><span·class="permalink"><a·href="#a923a158d373228cd8ff5ebe5941d04bd">&#9670;&#160;</a></span>SecondaryStructureColorProcessor()</h2>237 <h2·class="memtitle"><span·class="permalink"><a·href="#a923a158d373228cd8ff5ebe5941d04bd">&#9670;&#160;</a></span>SecondaryStructureColorProcessor()</h2>
  
238 <div·class="memitem">238 <div·class="memitem">
239 <div·class="memproto">239 <div·class="memproto">
240 ······<table·class="memname">240 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d19/a04667.html">List·of·all·members</a>··</div>78 <a·href="../../da/d19/a04667.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ResidueIDPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ResidueIDPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ResidueIDPredicate:</div>84 Inheritance·diagram·for·BALL::ResidueIDPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/dca/a04670.png"·usemap="#BALL::ResidueIDPredicate_map"·alt=""/>87 ··<img·src="../../d8/dca/a04670.png"·usemap="#BALL::ResidueIDPredicate_map"·alt=""/>
88 ··<map·id="BALL::ResidueIDPredicate_map"·name="BALL::ResidueIDPredicate_map">88 ··<map·id="BALL::ResidueIDPredicate_map"·name="BALL::ResidueIDPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·residues·IDs.·Returns·<code>true</code>,·if·the·ID·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·residues·IDs.·Returns·<code>true</code>,·if·the·ID·of·the·residue·that·the·atom·belongs·to·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a5b00082ed4a742654f8f577a803a0159"·name="a5b00082ed4a742654f8f577a803a0159"></a>134 <a·id="a5b00082ed4a742654f8f577a803a0159"·name="a5b00082ed4a742654f8f577a803a0159"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b00082ed4a742654f8f577a803a0159">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a5b00082ed4a742654f8f577a803a0159">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d4/d0d/a07851.html">List·of·all·members</a>··</div>80 <a·href="../../d4/d0d/a07851.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularTaskMessage·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MolecularTaskMessage·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::MolecularTaskMessage:</div>86 Inheritance·diagram·for·BALL::VIEW::MolecularTaskMessage:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../d8/dd3/a07854.png"·usemap="#BALL::VIEW::MolecularTaskMessage_map"·alt=""/>89 ··<img·src="../../d8/dd3/a07854.png"·usemap="#BALL::VIEW::MolecularTaskMessage_map"·alt=""/>
90 ··<map·id="BALL::VIEW::MolecularTaskMessage_map"·name="BALL::VIEW::MolecularTaskMessage_map">90 ··<map·id="BALL::VIEW::MolecularTaskMessage_map"·name="BALL::VIEW::MolecularTaskMessage_map">
91 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,220,24"/>91 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,220,24"/>
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137 Protected·Attributes</h2></td></tr>137 Protected·Attributes</h2></td></tr>
138 <tr·class="memitem:a7d7a6e6f42aea2cf02552e4ff957fff4"·id="r_a7d7a6e6f42aea2cf02552e4ff957fff4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/dd3/a07854.html#a0e5713446dad84dac3ea65664de67727">MolecularTaskMessageType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd3/a07854.html#a7d7a6e6f42aea2cf02552e4ff957fff4">type_</a></td></tr>138 <tr·class="memitem:a7d7a6e6f42aea2cf02552e4ff957fff4"·id="r_a7d7a6e6f42aea2cf02552e4ff957fff4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/dd3/a07854.html#a0e5713446dad84dac3ea65664de67727">MolecularTaskMessageType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd3/a07854.html#a7d7a6e6f42aea2cf02552e4ff957fff4">type_</a></td></tr>
139 <tr·class="separator:a7d7a6e6f42aea2cf02552e4ff957fff4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a7d7a6e6f42aea2cf02552e4ff957fff4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 </table>140 </table>
141 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>141 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
142 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·perform·specific·tasks·for·molecular·items.</p><dl·class="section·user"><dt></dt><dd>Send·by·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·to·MolecularProperties.·</dd></dl>142 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·perform·specific·tasks·for·molecular·items.</p><dl·class="section·user"><dt></dt><dd>Send·by·<a·class="el"·href="../../d5/db3/a08442.html">MolecularControl</a>·to·MolecularProperties.·</dd></dl>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00638">638</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
144 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>144 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
145 <a·id="a0e5713446dad84dac3ea65664de67727"·name="a0e5713446dad84dac3ea65664de67727"></a>145 <a·id="a0e5713446dad84dac3ea65664de67727"·name="a0e5713446dad84dac3ea65664de67727"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e5713446dad84dac3ea65664de67727">&#9670;&#160;</a></span>MolecularTaskMessageType</h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e5713446dad84dac3ea65664de67727">&#9670;&#160;</a></span>MolecularTaskMessageType</h2>
  
147 <div·class="memitem">147 <div·class="memitem">
148 <div·class="memproto">148 <div·class="memproto">
149 ······<table·class="memname">149 ······<table·class="memname">
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160 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a00b14e5baa72d86ef6b766883c4f728f"·name="a0e5713446dad84dac3ea65664de67727a00b14e5baa72d86ef6b766883c4f728f"></a>UNDEFINED&#160;</td><td·class="fielddoc"></td></tr>160 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a00b14e5baa72d86ef6b766883c4f728f"·name="a0e5713446dad84dac3ea65664de67727a00b14e5baa72d86ef6b766883c4f728f"></a>UNDEFINED&#160;</td><td·class="fielddoc"></td></tr>
161 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"·name="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"></a>BUILD_BONDS&#160;</td><td·class="fielddoc"></td></tr>161 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"·name="a0e5713446dad84dac3ea65664de67727a79012936ed4076e92fcb4d7dead146be"></a>BUILD_BONDS&#160;</td><td·class="fielddoc"></td></tr>
162 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"·name="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"></a>CHECK_RESIDUE&#160;</td><td·class="fielddoc"></td></tr>162 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"·name="a0e5713446dad84dac3ea65664de67727a550b566ec3559cd9240f0e0018b9d92a"></a>CHECK_RESIDUE&#160;</td><td·class="fielddoc"></td></tr>
163 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727afd12a6efa2ed30e95ca85097ba1c573d"·name="a0e5713446dad84dac3ea65664de67727afd12a6efa2ed30e95ca85097ba1c573d"></a>ADD_HYDROGENS&#160;</td><td·class="fielddoc"></td></tr>163 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727afd12a6efa2ed30e95ca85097ba1c573d"·name="a0e5713446dad84dac3ea65664de67727afd12a6efa2ed30e95ca85097ba1c573d"></a>ADD_HYDROGENS&#160;</td><td·class="fielddoc"></td></tr>
164 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"·name="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"></a>CREATE_DISTANCE_GRID&#160;</td><td·class="fielddoc"></td></tr>164 <tr><td·class="fieldname"><a·id="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"·name="a0e5713446dad84dac3ea65664de67727aaaf9b9d9ecb5c90fe63ccbedcce02630"></a>CREATE_DISTANCE_GRID&#160;</td><td·class="fielddoc"></td></tr>
165 </table>165 </table>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00644">644</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00644">644</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
167 </div>167 </div>
168 </div>168 </div>
169 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>169 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
170 <a·id="a98cd0ad87f437b566d476f31b558d19e"·name="a98cd0ad87f437b566d476f31b558d19e"></a>170 <a·id="a98cd0ad87f437b566d476f31b558d19e"·name="a98cd0ad87f437b566d476f31b558d19e"></a>
171 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cd0ad87f437b566d476f31b558d19e">&#9670;&#160;</a></span>MolecularTaskMessage()</h2>171 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cd0ad87f437b566d476f31b558d19e">&#9670;&#160;</a></span>MolecularTaskMessage()</h2>
  
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207 ··</td>207 ··</td>
208 ··<td·class="mlabels-right">208 ··<td·class="mlabels-right">
209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
210 ··</tr>210 ··</tr>
211 </table>211 </table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00665">665</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00665">665</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
214 </div>214 </div>
215 </div>215 </div>
216 <a·id="aedf524a4689c50aee8534424aad5b8f5"·name="aedf524a4689c50aee8534424aad5b8f5"></a>216 <a·id="aedf524a4689c50aee8534424aad5b8f5"·name="aedf524a4689c50aee8534424aad5b8f5"></a>
217 <h2·class="memtitle"><span·class="permalink"><a·href="#aedf524a4689c50aee8534424aad5b8f5">&#9670;&#160;</a></span>setType()</h2>217 <h2·class="memtitle"><span·class="permalink"><a·href="#aedf524a4689c50aee8534424aad5b8f5">&#9670;&#160;</a></span>setType()</h2>
  
218 <div·class="memitem">218 <div·class="memitem">
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250 ··</td>250 ··</td>
251 ··<td·class="mlabels-right">251 ··<td·class="mlabels-right">
252 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>252 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
253 ··</tr>253 ··</tr>
254 </table>254 </table>
255 </div><div·class="memdoc">255 </div><div·class="memdoc">
  
256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00670">670</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>256 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00670">670</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
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80 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::SmartsParser::SPAtom·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Smarts·Parser·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.··83 <p>Smarts·Parser·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.··
84 ·<a·href="../../d8/dd4/a07226.html#details">More...</a></p>84 ·<a·href="../../d8/dd4/a07226.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html">Property</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html">Property</a></td></tr>
90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··<a·href="../../d4/d8c/a07234.html#details">More...</a><br·/></td></tr>90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··<a·href="../../d4/d8c/a07234.html#details">More...</a><br·/></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html">PropertyValue</a></td></tr>
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192 <tr·class="memdesc:abe6e1984668b2fcba7df1b130fcdb88a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·true·if·the·local·properties·of·the·atoms·match··<br·/></td></tr>192 <tr·class="memdesc:abe6e1984668b2fcba7df1b130fcdb88a"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">returns·true·if·the·local·properties·of·the·atoms·match··<br·/></td></tr>
193 <tr·class="separator:abe6e1984668b2fcba7df1b130fcdb88a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:abe6e1984668b2fcba7df1b130fcdb88a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Smarts·Parser·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.·</p>196 <div·class="textblock"><p>Smarts·Parser·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.·</p>
197 <p>This·class·implements·the·representation·of·a·atom·of·the·smarts·parser.·It·is·faster·than·using·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class·with·Properties.·As·all·the·possible·properties·are·known·from·the·definition·of·the·SMARTS·language,·the·properties·are·listed·within·the·enumeration.·</p>197 <p>This·class·implements·the·representation·of·a·atom·of·the·smarts·parser.·It·is·faster·than·using·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class·with·Properties.·As·all·the·possible·properties·are·known·from·the·definition·of·the·SMARTS·language,·the·properties·are·listed·within·the·enumeration.·</p>
  
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
199 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>199 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
200 <a·id="a6479e1e3075b48b1a63088373cf81b2d"·name="a6479e1e3075b48b1a63088373cf81b2d"></a>200 <a·id="a6479e1e3075b48b1a63088373cf81b2d"·name="a6479e1e3075b48b1a63088373cf81b2d"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#a6479e1e3075b48b1a63088373cf81b2d">&#9670;&#160;</a></span>PropertyType</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#a6479e1e3075b48b1a63088373cf81b2d">&#9670;&#160;</a></span>PropertyType</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
203 <div·class="memproto">203 <div·class="memproto">
204 ······<table·class="memname">204 ······<table·class="memname">
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225 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da1cfdf797ae57eab5ec9422acb23e2130"·name="a6479e1e3075b48b1a63088373cf81b2da1cfdf797ae57eab5ec9422acb23e2130"></a>IMPLICIT_HYDROGENS&#160;</td><td·class="fielddoc"></td></tr>225 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da1cfdf797ae57eab5ec9422acb23e2130"·name="a6479e1e3075b48b1a63088373cf81b2da1cfdf797ae57eab5ec9422acb23e2130"></a>IMPLICIT_HYDROGENS&#160;</td><td·class="fielddoc"></td></tr>
226 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da0c3a25b93065bb84cf0e9bfd74277eff"·name="a6479e1e3075b48b1a63088373cf81b2da0c3a25b93065bb84cf0e9bfd74277eff"></a>DEGREE&#160;</td><td·class="fielddoc"></td></tr>226 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da0c3a25b93065bb84cf0e9bfd74277eff"·name="a6479e1e3075b48b1a63088373cf81b2da0c3a25b93065bb84cf0e9bfd74277eff"></a>DEGREE&#160;</td><td·class="fielddoc"></td></tr>
227 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2dad9a603901bf6dadf18d6bc1ea555dd26"·name="a6479e1e3075b48b1a63088373cf81b2dad9a603901bf6dadf18d6bc1ea555dd26"></a>RING_CONNECTED&#160;</td><td·class="fielddoc"></td></tr>227 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2dad9a603901bf6dadf18d6bc1ea555dd26"·name="a6479e1e3075b48b1a63088373cf81b2dad9a603901bf6dadf18d6bc1ea555dd26"></a>RING_CONNECTED&#160;</td><td·class="fielddoc"></td></tr>
228 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da2eff93800a4cc1e1e6d8f32a6f9dbc3e"·name="a6479e1e3075b48b1a63088373cf81b2da2eff93800a4cc1e1e6d8f32a6f9dbc3e"></a>CHIRALITY&#160;</td><td·class="fielddoc"></td></tr>228 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da2eff93800a4cc1e1e6d8f32a6f9dbc3e"·name="a6479e1e3075b48b1a63088373cf81b2da2eff93800a4cc1e1e6d8f32a6f9dbc3e"></a>CHIRALITY&#160;</td><td·class="fielddoc"></td></tr>
229 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da700ebd624e559286cd8cc50b657b21b3"·name="a6479e1e3075b48b1a63088373cf81b2da700ebd624e559286cd8cc50b657b21b3"></a>SYMBOL&#160;</td><td·class="fielddoc"></td></tr>229 <tr><td·class="fieldname"><a·id="a6479e1e3075b48b1a63088373cf81b2da700ebd624e559286cd8cc50b657b21b3"·name="a6479e1e3075b48b1a63088373cf81b2da700ebd624e559286cd8cc50b657b21b3"></a>SYMBOL&#160;</td><td·class="fielddoc"></td></tr>
230 </table>230 </table>
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
232 </div>232 </div>
233 </div>233 </div>
234 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>234 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
235 <a·id="a4ed3cb553e450eda16bde1ffcd976152"·name="a4ed3cb553e450eda16bde1ffcd976152"></a>235 <a·id="a4ed3cb553e450eda16bde1ffcd976152"·name="a4ed3cb553e450eda16bde1ffcd976152"></a>
236 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ed3cb553e450eda16bde1ffcd976152">&#9670;&#160;</a></span>SPAtom()·<span·class="overload">[1/2]</span></h2>236 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ed3cb553e450eda16bde1ffcd976152">&#9670;&#160;</a></span>SPAtom()·<span·class="overload">[1/2]</span></h2>
  
Offset 639, 15 lines modifiedOffset 639, 15 lines modified
639 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>639 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
640 ··</tr>640 ··</tr>
641 </table>641 </table>
642 </div><div·class="memdoc">642 </div><div·class="memdoc">
  
643 <p>the·atom·which·this·sp_atom·belongs·to·</p>643 <p>the·atom·which·this·sp_atom·belongs·to·</p>
  
644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00371">371</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00371">371</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
645 </div>645 </div>
646 </div>646 </div>
647 <a·id="a8a82b6a832609cb81bfed1d7d6f50a9a"·name="a8a82b6a832609cb81bfed1d7d6f50a9a"></a>647 <a·id="a8a82b6a832609cb81bfed1d7d6f50a9a"·name="a8a82b6a832609cb81bfed1d7d6f50a9a"></a>
648 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a82b6a832609cb81bfed1d7d6f50a9a">&#9670;&#160;</a></span>not_properties_</h2>648 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a82b6a832609cb81bfed1d7d6f50a9a">&#9670;&#160;</a></span>not_properties_</h2>
  
649 <div·class="memitem">649 <div·class="memitem">
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665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>665 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
666 ··</tr>666 ··</tr>
667 </table>667 </table>
668 </div><div·class="memdoc">668 </div><div·class="memdoc">
  
669 <p>the·properties·which·are·negated·</p>669 <p>the·properties·which·are·negated·</p>
  
670 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00377">377</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>670 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00377">377</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
671 </div>671 </div>
672 </div>672 </div>
673 <a·id="a47b0cb8638f409e3d93bbb75fb1c0615"·name="a47b0cb8638f409e3d93bbb75fb1c0615"></a>673 <a·id="a47b0cb8638f409e3d93bbb75fb1c0615"·name="a47b0cb8638f409e3d93bbb75fb1c0615"></a>
674 <h2·class="memtitle"><span·class="permalink"><a·href="#a47b0cb8638f409e3d93bbb75fb1c0615">&#9670;&#160;</a></span>properties_</h2>674 <h2·class="memtitle"><span·class="permalink"><a·href="#a47b0cb8638f409e3d93bbb75fb1c0615">&#9670;&#160;</a></span>properties_</h2>
  
675 <div·class="memitem">675 <div·class="memitem">
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691 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>691 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
692 ··</tr>692 ··</tr>
693 </table>693 </table>
694 </div><div·class="memdoc">694 </div><div·class="memdoc">
  
695 <p>the·properties·of·this·<a·class="el"·href="../../d8/dd4/a07226.html"·title="Smarts·Parser·Atom·class.">SPAtom</a>·</p>695 <p>the·properties·of·this·<a·class="el"·href="../../d8/dd4/a07226.html"·title="Smarts·Parser·Atom·class.">SPAtom</a>·</p>
  
696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d0f/a01727_source.html#l00374">374</a>·of·file·<a·class="el"·href="../../de/d0f/a01727_source.html">smartsParser.h</a>.</p>696 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00374">374</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">smartsParser.h</a>.</p>
  
697 </div>697 </div>
698 </div>698 </div>
699 </div><!--·contents·-->699 </div><!--·contents·-->
700 <!--·start·footer·part·-->700 <!--·start·footer·part·-->
701 <hr·class="footer"/><address·class="footer"><small>701 <hr·class="footer"/><address·class="footer"><small>
702 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8702 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/d85/a07467.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d85/a07467.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit::NotInHexFormat·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit::NotInHexFormat·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ColorUnit::NotInHexFormat:</div>84 Inheritance·diagram·for·BALL::VIEW::ColorUnit::NotInHexFormat:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/dd6/a07470.png"·usemap="#BALL::VIEW::ColorUnit::NotInHexFormat_map"·alt=""/>87 ··<img·src="../../d8/dd6/a07470.png"·usemap="#BALL::VIEW::ColorUnit::NotInHexFormat_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ColorUnit::NotInHexFormat_map"·name="BALL::VIEW::ColorUnit::NotInHexFormat_map">88 ··<map·id="BALL::VIEW::ColorUnit::NotInHexFormat_map"·name="BALL::VIEW::ColorUnit::NotInHexFormat_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,234,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,234,80"/>
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140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·given·string·for·the·colorUnit·class·is·not·in·the·format·"00"·-·"FF"·or·"00"·-·"ff".</p>143 <div·class="textblock"><p><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·given·string·for·the·colorUnit·class·is·not·in·the·format·"00"·-·"FF"·or·"00"·-·"ff".</p>
144 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>144 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
145 ·</dd></dl>145 ·</dd></dl>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">colorUnit.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">colorUnit.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="aa47746509f3819ba4d59c011b70c4ca7"·name="aa47746509f3819ba4d59c011b70c4ca7"></a>148 <a·id="aa47746509f3819ba4d59c011b70c4ca7"·name="aa47746509f3819ba4d59c011b70c4ca7"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#aa47746509f3819ba4d59c011b70c4ca7">&#9670;&#160;</a></span>NotInHexFormat()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#aa47746509f3819ba4d59c011b70c4ca7">&#9670;&#160;</a></span>NotInHexFormat()</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
151 <div·class="memproto">151 <div·class="memproto">
152 ······<table·class="memname">152 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/dcb/a07439.html">List·of·all·members</a>··</div>77 <a·href="../../d2/dcb/a07439.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Timer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Timer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SYSTEM/timer.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a3f5affeb7fb5d297434c3182b37413c8"·id="r_a3f5affeb7fb5d297434c3182b37413c8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a3f5affeb7fb5d297434c3182b37413c8">Timer</a>·()</td></tr>86 <tr·class="memitem:a3f5affeb7fb5d297434c3182b37413c8"·id="r_a3f5affeb7fb5d297434c3182b37413c8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a3f5affeb7fb5d297434c3182b37413c8">Timer</a>·()</td></tr>
87 <tr·class="separator:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a3f5affeb7fb5d297434c3182b37413c8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ae458510cd8e25eb5c284b83598263075"·id="r_ae458510cd8e25eb5c284b83598263075"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#ae458510cd8e25eb5c284b83598263075">Timer</a>·(<a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·&amp;timer)</td></tr>88 <tr·class="memitem:ae458510cd8e25eb5c284b83598263075"·id="r_ae458510cd8e25eb5c284b83598263075"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#ae458510cd8e25eb5c284b83598263075">Timer</a>·(<a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·&amp;timer)</td></tr>
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131 <tr·class="separator:af8309d9428d0dcb8301837cac2e12f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:af8309d9428d0dcb8301837cac2e12f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 <tr·class="memitem:a5cbe82541ac3a671a026db11a66f9e55"·id="r_a5cbe82541ac3a671a026db11a66f9e55"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a5cbe82541ac3a671a026db11a66f9e55">dump</a>·(::std::ostream·&amp;s=::std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0L)·const</td></tr>132 <tr·class="memitem:a5cbe82541ac3a671a026db11a66f9e55"·id="r_a5cbe82541ac3a671a026db11a66f9e55"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/ddb/a07442.html#a5cbe82541ac3a671a026db11a66f9e55">dump</a>·(::std::ostream·&amp;s=::std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0L)·const</td></tr>
133 <tr·class="separator:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memSeparator"·colspan="2">&#160;</td></tr>133 <tr·class="separator:a5cbe82541ac3a671a026db11a66f9e55"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
134 </table>134 </table>
135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>135 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
136 <div·class="textblock"><p><a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·Class·</p>136 <div·class="textblock"><p><a·class="el"·href="../../d8/ddb/a07442.html">Timer</a>·Class·</p>
  
137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dec/a01952_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d4/dec/a01952_source.html">timer.h</a>.</p>137 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dfa/a00746_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d4/dfa/a00746_source.html">timer.h</a>.</p>
138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>138 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
139 <a·id="a3f5affeb7fb5d297434c3182b37413c8"·name="a3f5affeb7fb5d297434c3182b37413c8"></a>139 <a·id="a3f5affeb7fb5d297434c3182b37413c8"·name="a3f5affeb7fb5d297434c3182b37413c8"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f5affeb7fb5d297434c3182b37413c8">&#9670;&#160;</a></span>Timer()·<span·class="overload">[1/2]</span></h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f5affeb7fb5d297434c3182b37413c8">&#9670;&#160;</a></span>Timer()·<span·class="overload">[1/2]</span></h2>
  
141 <div·class="memitem">141 <div·class="memitem">
142 <div·class="memproto">142 <div·class="memproto">
143 ······<table·class="memname">143 ······<table·class="memname">
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5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
6 <meta·name="generator"·content="Doxygen·1.9.8"/>6 <meta·name="generator"·content="Doxygen·1.9.8"/>
7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·widgets.doc·File·Reference</title>8 <title>BALL:·qsar.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d7/d45/a03175.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d45/a03175.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GlobalInitializer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GlobalInitializer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/d43/a01193_source.html">BALL/COMMON/init.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/dc4/a00617_source.html">BALL/COMMON/init.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a0aaabf3a9c3bd3472446e14f13b009e5"·id="r_a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#a0aaabf3a9c3bd3472446e14f13b009e5">~GlobalInitializer</a>·()</td></tr>87 <tr·class="memitem:a0aaabf3a9c3bd3472446e14f13b009e5"·id="r_a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#a0aaabf3a9c3bd3472446e14f13b009e5">~GlobalInitializer</a>·()</td></tr>
88 <tr·class="separator:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a0aaabf3a9c3bd3472446e14f13b009e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
91 Static·Public·Member·Functions</h2></td></tr>91 Static·Public·Member·Functions</h2></td></tr>
92 <tr·class="memitem:af6f874ac10ba0e3883195513d4995f64"·id="r_af6f874ac10ba0e3883195513d4995f64"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d8/dde/a03178.html">GlobalInitializer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#af6f874ac10ba0e3883195513d4995f64">init</a>·()</td></tr>92 <tr·class="memitem:af6f874ac10ba0e3883195513d4995f64"·id="r_af6f874ac10ba0e3883195513d4995f64"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../d8/dde/a03178.html">GlobalInitializer</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dde/a03178.html#af6f874ac10ba0e3883195513d4995f64">init</a>·()</td></tr>
93 <tr·class="separator:af6f874ac10ba0e3883195513d4995f64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:af6f874ac10ba0e3883195513d4995f64"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p>General·initialization·class·for·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·library.·The·sole·purpose·of·this·class·is·to·provide·a·safe·place·for·intializations·that·should·occur·before·the·first·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·functions·are·called.·Please·note·that·this·is·realized·by·a·static·singleton,·so·there·is·<b>no</b>·guarantee·of·a·particular·order·of·the·creation·of·this·class·with·respect·to·all·other·static·variables.·</p>96 <div·class="textblock"><p>General·initialization·class·for·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·library.·The·sole·purpose·of·this·class·is·to·provide·a·safe·place·for·intializations·that·should·occur·before·the·first·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·functions·are·called.·Please·note·that·this·is·realized·by·a·static·singleton,·so·there·is·<b>no</b>·guarantee·of·a·particular·order·of·the·creation·of·this·class·with·respect·to·all·other·static·variables.·</p>
  
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d43/a01193_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d43/a01193_source.html">init.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc4/a00617_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d4/dc4/a00617_source.html">init.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="a0aaabf3a9c3bd3472446e14f13b009e5"·name="a0aaabf3a9c3bd3472446e14f13b009e5"></a>99 <a·id="a0aaabf3a9c3bd3472446e14f13b009e5"·name="a0aaabf3a9c3bd3472446e14f13b009e5"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a0aaabf3a9c3bd3472446e14f13b009e5">&#9670;&#160;</a></span>~GlobalInitializer()</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a0aaabf3a9c3bd3472446e14f13b009e5">&#9670;&#160;</a></span>~GlobalInitializer()</h2>
  
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">dockResultFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">peptideDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d6/dbd/a01829_source.html">BALL/STRUCTURE/peptideBuilder.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_peptideDialog.h&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d16/a01154_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/d20/a01160_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;QtXml/QXmlDefaultHandler&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/> 
87 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/> 
88 <code>#include·&lt;QtCore/QFile&gt;</code><br·/> 
89 <code>#include·&lt;QtCore/QTemporaryFile&gt;</code><br·/> 
90 <code>#include·&lt;vector&gt;</code><br·/> 
91 </div>84 </div>
92 <p><a·href="../../d8/ddf/a01238_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d8/ddf/a01238_source.html">Go·to·the·source·code·of·this·file.</a></p>
93 <table·class="memberdecls">86 <table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
95 Classes</h2></td></tr>88 Classes</h2></td></tr>
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d94/a03882.html">BALL::DockResultFile</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/def/a07678.html">BALL::VIEW::PeptideDialog</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
100 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;81 <a·href="#pro-static-attribs">Static·Protected·Attributes</a>·&#124;
82 <a·href="../../da/d68/a07951.html">List·of·all·members</a>··</div>82 <a·href="../../da/d68/a07951.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutRegistry·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutRegistry·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d2/d49/a01067_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::ShortcutRegistry:</div>88 Inheritance·diagram·for·BALL::VIEW::ShortcutRegistry:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d8/de1/a07954.png"·usemap="#BALL::VIEW::ShortcutRegistry_map"·alt=""/>91 ··<img·src="../../d8/de1/a07954.png"·usemap="#BALL::VIEW::ShortcutRegistry_map"·alt=""/>
92 ··<map·id="BALL::VIEW::ShortcutRegistry_map"·name="BALL::VIEW::ShortcutRegistry_map">92 ··<map·id="BALL::VIEW::ShortcutRegistry_map"·name="BALL::VIEW::ShortcutRegistry_map">
93 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,351,24"/>93 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,351,24"/>
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203 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>203 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
204 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>204 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
205 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>205 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
206 </table>206 </table>
207 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>207 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
208 <div·class="textblock"><p><a·class="el"·href="../../d8/de1/a07954.html">ShortcutRegistry</a>.·It·takes·care·of·handling·all·shortcuts.·It·is·responsible·for·registering,·changing·single·shortcuts·or·loading·entire·shortcut-configuration·files.·</p>208 <div·class="textblock"><p><a·class="el"·href="../../d8/de1/a07954.html">ShortcutRegistry</a>.·It·takes·care·of·handling·all·shortcuts.·It·is·responsible·for·registering,·changing·single·shortcuts·or·loading·entire·shortcut-configuration·files.·</p>
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
210 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>210 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
211 <a·id="a907f6ae16b7044f2a0e617c9fbd8dd8b"·name="a907f6ae16b7044f2a0e617c9fbd8dd8b"></a>211 <a·id="a907f6ae16b7044f2a0e617c9fbd8dd8b"·name="a907f6ae16b7044f2a0e617c9fbd8dd8b"></a>
212 <h2·class="memtitle"><span·class="permalink"><a·href="#a907f6ae16b7044f2a0e617c9fbd8dd8b">&#9670;&#160;</a></span>ShortcutRegistry()</h2>212 <h2·class="memtitle"><span·class="permalink"><a·href="#a907f6ae16b7044f2a0e617c9fbd8dd8b">&#9670;&#160;</a></span>ShortcutRegistry()</h2>
  
213 <div·class="memitem">213 <div·class="memitem">
214 <div·class="memproto">214 <div·class="memproto">
215 ······<table·class="memname">215 ······<table·class="memname">
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648 ··</td>648 ··</td>
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650 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>650 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
651 ··</tr>651 ··</tr>
652 </table>652 </table>
653 </div><div·class="memdoc">653 </div><div·class="memdoc">
  
654 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>654 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
655 </div>655 </div>
656 </div>656 </div>
657 <a·id="a775bb275811a41001665427d806b215d"·name="a775bb275811a41001665427d806b215d"></a>657 <a·id="a775bb275811a41001665427d806b215d"·name="a775bb275811a41001665427d806b215d"></a>
658 <h2·class="memtitle"><span·class="permalink"><a·href="#a775bb275811a41001665427d806b215d">&#9670;&#160;</a></span>IN_SC_SEPERATOR</h2>658 <h2·class="memtitle"><span·class="permalink"><a·href="#a775bb275811a41001665427d806b215d">&#9670;&#160;</a></span>IN_SC_SEPERATOR</h2>
  
659 <div·class="memitem">659 <div·class="memitem">
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672 ··</td>672 ··</td>
673 ··<td·class="mlabels-right">673 ··<td·class="mlabels-right">
674 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>674 <span·class="mlabels"><span·class="mlabel">static</span><span·class="mlabel">protected</span></span>··</td>
675 ··</tr>675 ··</tr>
676 </table>676 </table>
677 </div><div·class="memdoc">677 </div><div·class="memdoc">
  
678 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>678 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
679 </div>679 </div>
680 </div>680 </div>
681 <a·id="ad0901245bc44bcbf407b54037c78dd18"·name="ad0901245bc44bcbf407b54037c78dd18"></a>681 <a·id="ad0901245bc44bcbf407b54037c78dd18"·name="ad0901245bc44bcbf407b54037c78dd18"></a>
682 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0901245bc44bcbf407b54037c78dd18">&#9670;&#160;</a></span>shortcut_keys_</h2>682 <h2·class="memtitle"><span·class="permalink"><a·href="#ad0901245bc44bcbf407b54037c78dd18">&#9670;&#160;</a></span>shortcut_keys_</h2>
  
683 <div·class="memitem">683 <div·class="memitem">
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696 ··</td>696 ··</td>
697 ··<td·class="mlabels-right">697 ··<td·class="mlabels-right">
698 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>698 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
699 ··</tr>699 ··</tr>
700 </table>700 </table>
701 </div><div·class="memdoc">701 </div><div·class="memdoc">
  
702 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>702 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
703 </div>703 </div>
704 </div>704 </div>
705 <a·id="a6185c20994ad0a8eb015aa60826af947"·name="a6185c20994ad0a8eb015aa60826af947"></a>705 <a·id="a6185c20994ad0a8eb015aa60826af947"·name="a6185c20994ad0a8eb015aa60826af947"></a>
706 <h2·class="memtitle"><span·class="permalink"><a·href="#a6185c20994ad0a8eb015aa60826af947">&#9670;&#160;</a></span>shortcuts_</h2>706 <h2·class="memtitle"><span·class="permalink"><a·href="#a6185c20994ad0a8eb015aa60826af947">&#9670;&#160;</a></span>shortcuts_</h2>
  
707 <div·class="memitem">707 <div·class="memitem">
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720 ··</td>720 ··</td>
721 ··<td·class="mlabels-right">721 ··<td·class="mlabels-right">
722 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>722 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
723 ··</tr>723 ··</tr>
724 </table>724 </table>
725 </div><div·class="memdoc">725 </div><div·class="memdoc">
  
726 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>726 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00094">94</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
727 </div>727 </div>
728 </div>728 </div>
729 <a·id="a6ba53af57c7a619aaef036ddf874e453"·name="a6ba53af57c7a619aaef036ddf874e453"></a>729 <a·id="a6ba53af57c7a619aaef036ddf874e453"·name="a6ba53af57c7a619aaef036ddf874e453"></a>
730 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ba53af57c7a619aaef036ddf874e453">&#9670;&#160;</a></span>unknown_shortcuts_</h2>730 <h2·class="memtitle"><span·class="permalink"><a·href="#a6ba53af57c7a619aaef036ddf874e453">&#9670;&#160;</a></span>unknown_shortcuts_</h2>
  
731 <div·class="memitem">731 <div·class="memitem">
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744 ··</td>744 ··</td>
745 ··<td·class="mlabels-right">745 ··<td·class="mlabels-right">
746 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>746 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
747 ··</tr>747 ··</tr>
748 </table>748 </table>
749 </div><div·class="memdoc">749 </div><div·class="memdoc">
  
750 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d15/a00188_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../da/d15/a00188_source.html">shortcutRegistry.h</a>.</p>750 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d49/a01067_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d2/d49/a01067_source.html">shortcutRegistry.h</a>.</p>
  
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756 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8756 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d5/d34/a04255.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d34/a04255.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordMODEL·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordMODEL·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ae5fa64dcd8320de3498317885b324a77"·id="r_ae5fa64dcd8320de3498317885b324a77"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#ae5fa64dcd8320de3498317885b324a77">record_type</a></td></tr>86 <tr·class="memitem:ae5fa64dcd8320de3498317885b324a77"·id="r_ae5fa64dcd8320de3498317885b324a77"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#ae5fa64dcd8320de3498317885b324a77">record_type</a></td></tr>
87 <tr·class="separator:ae5fa64dcd8320de3498317885b324a77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae5fa64dcd8320de3498317885b324a77"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a5f24555187128e7e0b1d97db62e26d73"·id="r_a5f24555187128e7e0b1d97db62e26d73"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#a5f24555187128e7e0b1d97db62e26d73">record_name</a></td></tr>88 <tr·class="memitem:a5f24555187128e7e0b1d97db62e26d73"·id="r_a5f24555187128e7e0b1d97db62e26d73"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#a5f24555187128e7e0b1d97db62e26d73">record_name</a></td></tr>
89 <tr·class="separator:a5f24555187128e7e0b1d97db62e26d73"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a5f24555187128e7e0b1d97db62e26d73"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aa7acbf0f22037d89cb948559a0923416"·id="r_aa7acbf0f22037d89cb948559a0923416"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#aa7acbf0f22037d89cb948559a0923416">model_serial_number</a></td></tr>90 <tr·class="memitem:aa7acbf0f22037d89cb948559a0923416"·id="r_aa7acbf0f22037d89cb948559a0923416"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de6/a04258.html#aa7acbf0f22037d89cb948559a0923416">model_serial_number</a></td></tr>
91 <tr·class="separator:aa7acbf0f22037d89cb948559a0923416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa7acbf0f22037d89cb948559a0923416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00836">836</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00836">836</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="aa7acbf0f22037d89cb948559a0923416"·name="aa7acbf0f22037d89cb948559a0923416"></a>97 <a·id="aa7acbf0f22037d89cb948559a0923416"·name="aa7acbf0f22037d89cb948559a0923416"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7acbf0f22037d89cb948559a0923416">&#9670;&#160;</a></span>model_serial_number</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7acbf0f22037d89cb948559a0923416">&#9670;&#160;</a></span>model_serial_number</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordMODEL::model_serial_number</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordMODEL::model_serial_number</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00840">840</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a5f24555187128e7e0b1d97db62e26d73"·name="a5f24555187128e7e0b1d97db62e26d73"></a>110 <a·id="a5f24555187128e7e0b1d97db62e26d73"·name="a5f24555187128e7e0b1d97db62e26d73"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f24555187128e7e0b1d97db62e26d73">&#9670;&#160;</a></span>record_name</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f24555187128e7e0b1d97db62e26d73">&#9670;&#160;</a></span>record_name</h2>
  
112 <div·class="memitem">112 <div·class="memitem">
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119 ······<table·class="memname">119 ······<table·class="memname">
120 ········<tr>120 ········<tr>
121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordMODEL::record_name</td>121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordMODEL::record_name</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00839">839</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00839">839</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ae5fa64dcd8320de3498317885b324a77"·name="ae5fa64dcd8320de3498317885b324a77"></a>128 <a·id="ae5fa64dcd8320de3498317885b324a77"·name="ae5fa64dcd8320de3498317885b324a77"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5fa64dcd8320de3498317885b324a77">&#9670;&#160;</a></span>record_type</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5fa64dcd8320de3498317885b324a77">&#9670;&#160;</a></span>record_type</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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135 ······<table·class="memname">135 ······<table·class="memname">
136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordMODEL::record_type</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordMODEL::record_type</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">PBScoring.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">PBScoring.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../d8/de7/a02030_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d8/de7/a02030_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d1/d9d/a08459.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d9d/a08459.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IntEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IntEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::IntEditorWidget:</div>85 Inheritance·diagram·for·BALL::VIEW::IntEditorWidget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d8/dea/a08462.png"·usemap="#BALL::VIEW::IntEditorWidget_map"·alt=""/>88 ··<img·src="../../d8/dea/a08462.png"·usemap="#BALL::VIEW::IntEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::IntEditorWidget_map"·name="BALL::VIEW::IntEditorWidget_map">89 ··<map·id="BALL::VIEW::IntEditorWidget_map"·name="BALL::VIEW::IntEditorWidget_map">
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143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00139">139</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00139">139</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cd22acb11ea6c1e5c35e9c5f8211a11">&#9670;&#160;</a></span>IntEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cd22acb11ea6c1e5c35e9c5f8211a11">&#9670;&#160;</a></span>IntEditorWidget()</h2>
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">stageSettings.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularInteractions.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;BALL/VIEW/UIC/ui_stageSettings.h&gt;</code><br·/> 
87 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>83 <code>#include·&lt;map&gt;</code><br·/>
88 </div>84 </div>
89 <p><a·href="../../d8/deb/a00545_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d8/deb/a00545_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">86 <table·class="memberdecls">
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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103 </div><!--·contents·-->97 </div><!--·contents·-->
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106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">shortcutDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">expressionPredicate.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/VIEW/KERNEL/shortcutRegistry.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d5/df1/a00206_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;BALL/VIEW/UIC/ui_shortcutDialog.h&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../d8/df0/a00557_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d8/df0/a00557_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d1c/a07730.html">BALL::VIEW::ShortcutDialog</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>94 </table>
100 </div><!--·contents·-->95 </div><!--·contents·-->
101 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/d67/a06191.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d67/a06191.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AdvancedElectrostatic·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AdvancedElectrostatic·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d67/a01958_source.html">BALL/SCORING/COMPONENTS/advElectrostatic.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMPONENTS/advElectrostatic.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AdvancedElectrostatic:</div>84 Inheritance·diagram·for·BALL::AdvancedElectrostatic:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/df6/a06194.png"·usemap="#BALL::AdvancedElectrostatic_map"·alt=""/>87 ··<img·src="../../d8/df6/a06194.png"·usemap="#BALL::AdvancedElectrostatic_map"·alt=""/>
88 ··<map·id="BALL::AdvancedElectrostatic_map"·name="BALL::AdvancedElectrostatic_map">88 ··<map·id="BALL::AdvancedElectrostatic_map"·name="BALL::AdvancedElectrostatic_map">
89 <area·href="../../d1/d66/a06266.html"·alt="BALL::Electrostatic"·shape="rect"·coords="0,56,176,80"/>89 <area·href="../../d1/d66/a06266.html"·alt="BALL::Electrostatic"·shape="rect"·coords="0,56,176,80"/>
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197 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>197 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
198 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>199 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
200 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 </table>201 </table>
202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
203 <div·class="textblock">203 <div·class="textblock">
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d67/a01958_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d3/d67/a01958_source.html">advElectrostatic.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d50/a02081_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d2/d50/a02081_source.html">advElectrostatic.h</a>.</p>
205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>205 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
206 <a·id="a98cdaf8a2d10e754f9bf57675793c898"·name="a98cdaf8a2d10e754f9bf57675793c898"></a>206 <a·id="a98cdaf8a2d10e754f9bf57675793c898"·name="a98cdaf8a2d10e754f9bf57675793c898"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cdaf8a2d10e754f9bf57675793c898">&#9670;&#160;</a></span>AdvancedElectrostatic()·<span·class="overload">[1/2]</span></h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#a98cdaf8a2d10e754f9bf57675793c898">&#9670;&#160;</a></span>AdvancedElectrostatic()·<span·class="overload">[1/2]</span></h2>
  
208 <div·class="memitem">208 <div·class="memitem">
209 <div·class="memproto">209 <div·class="memproto">
210 ······<table·class="memname">210 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/df0/a03119.html">List·of·all·members</a>··</div>78 <a·href="../../d2/df0/a03119.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfGrid·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfGrid·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::OutOfGrid:</div>84 Inheritance·diagram·for·BALL::Exception::OutOfGrid:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d8/dfb/a03122.png"·usemap="#BALL::Exception::OutOfGrid_map"·alt=""/>87 ··<img·src="../../d8/dfb/a03122.png"·usemap="#BALL::Exception::OutOfGrid_map"·alt=""/>
88 ··<map·id="BALL::Exception::OutOfGrid_map"·name="BALL::Exception::OutOfGrid_map">88 ··<map·id="BALL::Exception::OutOfGrid_map"·name="BALL::Exception::OutOfGrid_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Out·of·grid·error.·</p>143 <div·class="textblock"><p>Out·of·grid·error.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00349">349</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00349">349</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="aa7c9f0159cf882fbe8f2eab14a6b3ba3"·name="aa7c9f0159cf882fbe8f2eab14a6b3ba3"></a>146 <a·id="aa7c9f0159cf882fbe8f2eab14a6b3ba3"·name="aa7c9f0159cf882fbe8f2eab14a6b3ba3"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7c9f0159cf882fbe8f2eab14a6b3ba3">&#9670;&#160;</a></span>OutOfGrid()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#aa7c9f0159cf882fbe8f2eab14a6b3ba3">&#9670;&#160;</a></span>OutOfGrid()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d3/dac/a05307.html">List·of·all·members</a>··</div>78 <a·href="../../d3/dac/a05307.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTyper::AromaticType·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTyper::AromaticType·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d06/a00131_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a7d403d6ce66b3a418b81973865417efd"·id="r_a7d403d6ce66b3a418b81973865417efd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a7d403d6ce66b3a418b81973865417efd">new_type</a></td></tr>86 <tr·class="memitem:a7d403d6ce66b3a418b81973865417efd"·id="r_a7d403d6ce66b3a418b81973865417efd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a7d403d6ce66b3a418b81973865417efd">new_type</a></td></tr>
87 <tr·class="separator:a7d403d6ce66b3a418b81973865417efd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a7d403d6ce66b3a418b81973865417efd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aed044e2fe630dab8415190f8ffe64bca"·id="r_aed044e2fe630dab8415190f8ffe64bca"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aed044e2fe630dab8415190f8ffe64bca">atomic_number</a></td></tr>88 <tr·class="memitem:aed044e2fe630dab8415190f8ffe64bca"·id="r_aed044e2fe630dab8415190f8ffe64bca"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aed044e2fe630dab8415190f8ffe64bca">atomic_number</a></td></tr>
89 <tr·class="separator:aed044e2fe630dab8415190f8ffe64bca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aed044e2fe630dab8415190f8ffe64bca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a9abcdd26e3cce39945addbfb7a6ae269"·id="r_a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a9abcdd26e3cce39945addbfb7a6ae269">cation</a></td></tr>90 <tr·class="memitem:a9abcdd26e3cce39945addbfb7a6ae269"·id="r_a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#a9abcdd26e3cce39945addbfb7a6ae269">cation</a></td></tr>
91 <tr·class="separator:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a9abcdd26e3cce39945addbfb7a6ae269"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:aaa19729e5f61ab45296cb2b184503031"·id="r_aaa19729e5f61ab45296cb2b184503031"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aaa19729e5f61ab45296cb2b184503031">anion</a></td></tr>92 <tr·class="memitem:aaa19729e5f61ab45296cb2b184503031"·id="r_aaa19729e5f61ab45296cb2b184503031"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dfd/a05310.html#aaa19729e5f61ab45296cb2b184503031">anion</a></td></tr>
93 <tr·class="separator:aaa19729e5f61ab45296cb2b184503031"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:aaa19729e5f61ab45296cb2b184503031"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">MMFF94Processors.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="aaa19729e5f61ab45296cb2b184503031"·name="aaa19729e5f61ab45296cb2b184503031"></a>99 <a·id="aaa19729e5f61ab45296cb2b184503031"·name="aaa19729e5f61ab45296cb2b184503031"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa19729e5f61ab45296cb2b184503031">&#9670;&#160;</a></span>anion</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa19729e5f61ab45296cb2b184503031">&#9670;&#160;</a></span>anion</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 ······<table·class="memname">103 ······<table·class="memname">
104 ········<tr>104 ········<tr>
105 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::anion</td>105 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::anion</td>
106 ········</tr>106 ········</tr>
107 ······</table>107 ······</table>
108 </div><div·class="memdoc">108 </div><div·class="memdoc">
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">MMFF94Processors.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
112 <a·id="aed044e2fe630dab8415190f8ffe64bca"·name="aed044e2fe630dab8415190f8ffe64bca"></a>112 <a·id="aed044e2fe630dab8415190f8ffe64bca"·name="aed044e2fe630dab8415190f8ffe64bca"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#aed044e2fe630dab8415190f8ffe64bca">&#9670;&#160;</a></span>atomic_number</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#aed044e2fe630dab8415190f8ffe64bca">&#9670;&#160;</a></span>atomic_number</h2>
  
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122 ········<tr>122 ········<tr>
123 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MMFF94AtomTyper::AromaticType::atomic_number</td>123 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MMFF94AtomTyper::AromaticType::atomic_number</td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">MMFF94Processors.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="a9abcdd26e3cce39945addbfb7a6ae269"·name="a9abcdd26e3cce39945addbfb7a6ae269"></a>130 <a·id="a9abcdd26e3cce39945addbfb7a6ae269"·name="a9abcdd26e3cce39945addbfb7a6ae269"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a9abcdd26e3cce39945addbfb7a6ae269">&#9670;&#160;</a></span>cation</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a9abcdd26e3cce39945addbfb7a6ae269">&#9670;&#160;</a></span>cation</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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138 ········<tr>138 ········<tr>
139 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::cation</td>139 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::MMFF94AtomTyper::AromaticType::cation</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">MMFF94Processors.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="a7d403d6ce66b3a418b81973865417efd"·name="a7d403d6ce66b3a418b81973865417efd"></a>146 <a·id="a7d403d6ce66b3a418b81973865417efd"·name="a7d403d6ce66b3a418b81973865417efd"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d403d6ce66b3a418b81973865417efd">&#9670;&#160;</a></span>new_type</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d403d6ce66b3a418b81973865417efd">&#9670;&#160;</a></span>new_type</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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154 ········<tr>154 ········<tr>
155 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MMFF94AtomTyper::AromaticType::new_type</td>155 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MMFF94AtomTyper::AromaticType::new_type</td>
156 ········</tr>156 ········</tr>
157 ······</table>157 ······</table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbf/a01595_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dc/dbf/a01595_source.html">MMFF94Processors.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d06/a00131_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d7/d06/a00131_source.html">MMFF94Processors.h</a>.</p>
  
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165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/d43/a06867.html">List·of·all·members</a>··</div>77 <a·href="../../de/d43/a06867.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NormalizeNamesProcessor·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NormalizeNamesProcessor·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::FragmentDB::NormalizeNamesProcessor:</div>83 Inheritance·diagram·for·BALL::FragmentDB::NormalizeNamesProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d00/a06870.png"·usemap="#BALL::FragmentDB::NormalizeNamesProcessor_map"·alt=""/>86 ··<img·src="../../d9/d00/a06870.png"·usemap="#BALL::FragmentDB::NormalizeNamesProcessor_map"·alt=""/>
87 ··<map·id="BALL::FragmentDB::NormalizeNamesProcessor_map"·name="BALL::FragmentDB::NormalizeNamesProcessor_map">87 ··<map·id="BALL::FragmentDB::NormalizeNamesProcessor_map"·name="BALL::FragmentDB::NormalizeNamesProcessor_map">
88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Fragment·&gt;"·shape="rect"·coords="0,56,311,80"/>88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Fragment·&gt;"·shape="rect"·coords="0,56,311,80"/>
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92 </div></div>92 </div></div>
93 <table·class="memberdecls">93 <table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
95 Public·Member·Functions</h2></td></tr>95 Public·Member·Functions</h2></td></tr>
96 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>96 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
97 <tr·class="memitem:a2a3bbde825b9367d14c8adeb86050f99"·id="r_a2a3bbde825b9367d14c8adeb86050f99"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a2a3bbde825b9367d14c8adeb86050f99">NormalizeNamesProcessor</a>·()</td></tr>97 <tr·class="memitem:a2a3bbde825b9367d14c8adeb86050f99"·id="r_a2a3bbde825b9367d14c8adeb86050f99"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a2a3bbde825b9367d14c8adeb86050f99">NormalizeNamesProcessor</a>·()</td></tr>
98 <tr·class="separator:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a2a3bbde825b9367d14c8adeb86050f99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:a92cdc3143f21c04719c6e827c2198b74"·id="r_a92cdc3143f21c04719c6e827c2198b74"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a92cdc3143f21c04719c6e827c2198b74">NormalizeNamesProcessor</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/daf/a01568.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>99 <tr·class="memitem:a92cdc3143f21c04719c6e827c2198b74"·id="r_a92cdc3143f21c04719c6e827c2198b74"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a92cdc3143f21c04719c6e827c2198b74">NormalizeNamesProcessor</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/d45/a00011.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>
100 <tr·class="separator:a92cdc3143f21c04719c6e827c2198b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a92cdc3143f21c04719c6e827c2198b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a08fa6e860601816bd5d58d193b5a2565"·id="r_a08fa6e860601816bd5d58d193b5a2565"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a08fa6e860601816bd5d58d193b5a2565">~NormalizeNamesProcessor</a>·()</td></tr>101 <tr·class="memitem:a08fa6e860601816bd5d58d193b5a2565"·id="r_a08fa6e860601816bd5d58d193b5a2565"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a08fa6e860601816bd5d58d193b5a2565">~NormalizeNamesProcessor</a>·()</td></tr>
102 <tr·class="separator:a08fa6e860601816bd5d58d193b5a2565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a08fa6e860601816bd5d58d193b5a2565"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr><td·colspan="2"><div·class="groupHeader">Inspectors·and·Mutators</div></td></tr>103 <tr><td·colspan="2"><div·class="groupHeader">Inspectors·and·Mutators</div></td></tr>
104 <tr·class="memitem:adfaa753214e4068eb17775a66f49fd02"·id="r_adfaa753214e4068eb17775a66f49fd02"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#adfaa753214e4068eb17775a66f49fd02">setFragmentDB</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/daf/a01568.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>104 <tr·class="memitem:adfaa753214e4068eb17775a66f49fd02"·id="r_adfaa753214e4068eb17775a66f49fd02"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#adfaa753214e4068eb17775a66f49fd02">setFragmentDB</a>·(<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB</a>·&amp;<a·class="el"·href="../../da/d45/a00011.html#a89a7f6028a19c3dc081cc5f16eb53891">db</a>)</td></tr>
105 <tr·class="separator:adfaa753214e4068eb17775a66f49fd02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:adfaa753214e4068eb17775a66f49fd02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:a868a9f6477715347d147d26ae93768d8"·id="r_a868a9f6477715347d147d26ae93768d8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a868a9f6477715347d147d26ae93768d8">setNamingStandard</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;naming_standard)</td></tr>106 <tr·class="memitem:a868a9f6477715347d147d26ae93768d8"·id="r_a868a9f6477715347d147d26ae93768d8"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a868a9f6477715347d147d26ae93768d8">setNamingStandard</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;naming_standard)</td></tr>
107 <tr·class="separator:a868a9f6477715347d147d26ae93768d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a868a9f6477715347d147d26ae93768d8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 <tr·class="memitem:aa16c08c92b4e61f77d615379c295601c"·id="r_aa16c08c92b4e61f77d615379c295601c"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#aa16c08c92b4e61f77d615379c295601c">getNamingStandard</a>·()</td></tr>108 <tr·class="memitem:aa16c08c92b4e61f77d615379c295601c"·id="r_aa16c08c92b4e61f77d615379c295601c"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#aa16c08c92b4e61f77d615379c295601c">getNamingStandard</a>·()</td></tr>
109 <tr·class="separator:aa16c08c92b4e61f77d615379c295601c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:aa16c08c92b4e61f77d615379c295601c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:a3f071ec4e44fc939b7dbf7a50c3f1d32"·id="r_a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a3f071ec4e44fc939b7dbf7a50c3f1d32">matchName</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;res_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;atom_name,·const·<a·class="el"·href="../../d7/d89/a06862.html#a4d93938fd1377c04738dccea91c2e785">NameMap</a>·&amp;map)·const</td></tr>110 <tr·class="memitem:a3f071ec4e44fc939b7dbf7a50c3f1d32"·id="r_a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html#a3f071ec4e44fc939b7dbf7a50c3f1d32">matchName</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;res_name,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;atom_name,·const·<a·class="el"·href="../../d7/d89/a06862.html#a4d93938fd1377c04738dccea91c2e785">NameMap</a>·&amp;map)·const</td></tr>
111 <tr·class="separator:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a3f071ec4e44fc939b7dbf7a50c3f1d32"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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140 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>141 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
142 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 </table>143 </table>
144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p>Name·normalization·processor.·This·class·is·used·to·adopt·all·names·in·a·molecular·system·to·a·given·naming·standard·(usually·the·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·standard).·</p>145 <div·class="textblock"><p>Name·normalization·processor.·This·class·is·used·to·adopt·all·names·in·a·molecular·system·to·a·given·naming·standard·(usually·the·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·standard).·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00254">254</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">fragmentDB.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00254">254</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="a2a3bbde825b9367d14c8adeb86050f99"·name="a2a3bbde825b9367d14c8adeb86050f99"></a>148 <a·id="a2a3bbde825b9367d14c8adeb86050f99"·name="a2a3bbde825b9367d14c8adeb86050f99"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a3bbde825b9367d14c8adeb86050f99">&#9670;&#160;</a></span>NormalizeNamesProcessor()·<span·class="overload">[1/2]</span></h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a3bbde825b9367d14c8adeb86050f99">&#9670;&#160;</a></span>NormalizeNamesProcessor()·<span·class="overload">[1/2]</span></h2>
  
150 <div·class="memitem">150 <div·class="memitem">
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79 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../d9/d00/a07022.html#details">More...</a></p>83 ·<a·href="../../d9/d00/a07022.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a39ff0d0d88f3f7923c243f6ec30300df"·id="r_a39ff0d0d88f3f7923c243f6ec30300df"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a39ff0d0d88f3f7923c243f6ec30300df">INIFile</a></td></tr>88 <tr·class="memitem:a39ff0d0d88f3f7923c243f6ec30300df"·id="r_a39ff0d0d88f3f7923c243f6ec30300df"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a39ff0d0d88f3f7923c243f6ec30300df">INIFile</a></td></tr>
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90 <tr·class="memitem:a313839f123b1de1100f0c7e314cd32bb"·id="r_a313839f123b1de1100f0c7e314cd32bb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a313839f123b1de1100f0c7e314cd32bb">PSEUDO_ATOMS_INIFile</a></td></tr>90 <tr·class="memitem:a313839f123b1de1100f0c7e314cd32bb"·id="r_a313839f123b1de1100f0c7e314cd32bb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a07022.html#a313839f123b1de1100f0c7e314cd32bb">PSEUDO_ATOMS_INIFile</a></td></tr>
91 <tr·class="separator:a313839f123b1de1100f0c7e314cd32bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a313839f123b1de1100f0c7e314cd32bb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>94 <div·class="textblock"><p><a·class="el"·href="../../d9/d00/a07022.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a39ff0d0d88f3f7923c243f6ec30300df"·name="a39ff0d0d88f3f7923c243f6ec30300df"></a>97 <a·id="a39ff0d0d88f3f7923c243f6ec30300df"·name="a39ff0d0d88f3f7923c243f6ec30300df"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a39ff0d0d88f3f7923c243f6ec30300df">&#9670;&#160;</a></span>INIFile</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a39ff0d0d88f3f7923c243f6ec30300df">&#9670;&#160;</a></span>INIFile</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="a313839f123b1de1100f0c7e314cd32bb"·name="a313839f123b1de1100f0c7e314cd32bb"></a>122 <a·id="a313839f123b1de1100f0c7e314cd32bb"·name="a313839f123b1de1100f0c7e314cd32bb"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#a313839f123b1de1100f0c7e314cd32bb">&#9670;&#160;</a></span>PSEUDO_ATOMS_INIFile</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#a313839f123b1de1100f0c7e314cd32bb">&#9670;&#160;</a></span>PSEUDO_ATOMS_INIFile</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 </div><!--·contents·-->146 </div><!--·contents·-->
147 <!--·start·footer·part·-->147 <!--·start·footer·part·-->
148 <hr·class="footer"/><address·class="footer"><small>148 <hr·class="footer"/><address·class="footer"><small>
149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d2/dfb/a06863.html">List·of·all·members</a>··</div>79 <a·href="../../d2/dfb/a06863.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NoFragmentNode·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::FragmentDB::NoFragmentNode·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::FragmentDB::NoFragmentNode:</div>85 Inheritance·diagram·for·BALL::FragmentDB::NoFragmentNode:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/d03/a06866.png"·usemap="#BALL::FragmentDB::NoFragmentNode_map"·alt=""/>88 ··<img·src="../../d9/d03/a06866.png"·usemap="#BALL::FragmentDB::NoFragmentNode_map"·alt=""/>
89 ··<map·id="BALL::FragmentDB::NoFragmentNode_map"·name="BALL::FragmentDB::NoFragmentNode_map">89 ··<map·id="BALL::FragmentDB::NoFragmentNode_map"·name="BALL::FragmentDB::NoFragmentNode_map">
90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,224,80"/>90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,224,80"/>
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143 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>144 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
145 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>145 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
146 </table>146 </table>
147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
148 <div·class="textblock"><p>No·fragment·node·found.·This·exception·is·thrown·by·<a·class="el"·href="../../d7/d89/a06862.html#a9880a81ab2d33676a9b4c821d2cb1509">init·</a>·if·the·resource·database·does·not·contain·a·<code>Fragments</code>·entry.·</p>148 <div·class="textblock"><p>No·fragment·node·found.·This·exception·is·thrown·by·<a·class="el"·href="../../d7/d89/a06862.html#a9880a81ab2d33676a9b4c821d2cb1509">init·</a>·if·the·resource·database·does·not·contain·a·<code>Fragments</code>·entry.·</p>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">fragmentDB.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="a950cefc0c09ccf3de3c0beb9a431c218"·name="a950cefc0c09ccf3de3c0beb9a431c218"></a>151 <a·id="a950cefc0c09ccf3de3c0beb9a431c218"·name="a950cefc0c09ccf3de3c0beb9a431c218"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a950cefc0c09ccf3de3c0beb9a431c218">&#9670;&#160;</a></span>NoFragmentNode()</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a950cefc0c09ccf3de3c0beb9a431c218">&#9670;&#160;</a></span>NoFragmentNode()</h2>
  
153 <div·class="memitem">153 <div·class="memitem">
154 <div·class="memproto">154 <div·class="memproto">
155 ······<table·class="memname">155 ······<table·class="memname">
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208 ··</td>208 ··</td>
209 ··<td·class="mlabels-right">209 ··<td·class="mlabels-right">
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211 ··</tr>211 ··</tr>
212 </table>212 </table>
213 </div><div·class="memdoc">213 </div><div·class="memdoc">
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">fragmentDB.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00092">92</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <h2·class="groupheader">Member·Data·Documentation</h2>217 <h2·class="groupheader">Member·Data·Documentation</h2>
218 <a·id="a26cdb7088e4d2d0c937613e2584afa9d"·name="a26cdb7088e4d2d0c937613e2584afa9d"></a>218 <a·id="a26cdb7088e4d2d0c937613e2584afa9d"·name="a26cdb7088e4d2d0c937613e2584afa9d"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a26cdb7088e4d2d0c937613e2584afa9d">&#9670;&#160;</a></span>filename_</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a26cdb7088e4d2d0c937613e2584afa9d">&#9670;&#160;</a></span>filename_</h2>
  
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233 ··</td>233 ··</td>
234 ··<td·class="mlabels-right">234 ··<td·class="mlabels-right">
235 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>235 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
236 ··</tr>236 ··</tr>
237 </table>237 </table>
238 </div><div·class="memdoc">238 </div><div·class="memdoc">
  
239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d8b/a01871_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../da/d8b/a01871_source.html">fragmentDB.h</a>.</p>239 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d9a/a01715_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../df/d9a/a01715_source.html">fragmentDB.h</a>.</p>
  
240 </div>240 </div>
241 </div>241 </div>
242 </div><!--·contents·-->242 </div><!--·contents·-->
243 <!--·start·footer·part·-->243 <!--·start·footer·part·-->
244 <hr·class="footer"/><address·class="footer"><small>244 <hr·class="footer"/><address·class="footer"><small>
245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8245 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/dfa/a04759.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dfa/a04759.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Conformation4C1Predicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Conformation4C1Predicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Conformation4C1Predicate:</div>84 Inheritance·diagram·for·BALL::Conformation4C1Predicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d08/a04762.png"·usemap="#BALL::Conformation4C1Predicate_map"·alt=""/>87 ··<img·src="../../d9/d08/a04762.png"·usemap="#BALL::Conformation4C1Predicate_map"·alt=""/>
88 ··<map·id="BALL::Conformation4C1Predicate_map"·name="BALL::Conformation4C1Predicate_map">88 ··<map·id="BALL::Conformation4C1Predicate_map"·name="BALL::Conformation4C1Predicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·determining·whether·a·sugar·ring·is·in·4C1·conformation.·</p>131 <div·class="textblock"><p>Predicate·for·determining·whether·a·sugar·ring·is·in·4C1·conformation.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00818">818</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00818">818</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a980beef43237d3312e75e37ae600c5e3"·name="a980beef43237d3312e75e37ae600c5e3"></a>134 <a·id="a980beef43237d3312e75e37ae600c5e3"·name="a980beef43237d3312e75e37ae600c5e3"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a980beef43237d3312e75e37ae600c5e3">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a980beef43237d3312e75e37ae600c5e3">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
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138 <table·class="mlabels">138 <table·class="mlabels">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d4/da7/a08195.html">List·of·all·members</a>··</div>77 <a·href="../../d4/da7/a08195.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimpleBox·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimpleBox·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d80/a00614_source.html">BALL/VIEW/PRIMITIVES/simpleBox.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d70/a01415_source.html">BALL/VIEW/PRIMITIVES/simpleBox.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::SimpleBox:</div>83 Inheritance·diagram·for·BALL::VIEW::SimpleBox:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d08/a08198.png"·usemap="#BALL::VIEW::SimpleBox_map"·alt=""/>86 ··<img·src="../../d9/d08/a08198.png"·usemap="#BALL::VIEW::SimpleBox_map"·alt=""/>
87 ··<map·id="BALL::VIEW::SimpleBox_map"·name="BALL::VIEW::SimpleBox_map">87 ··<map·id="BALL::VIEW::SimpleBox_map"·name="BALL::VIEW::SimpleBox_map">
88 <area·href="../../da/dd2/a04898.html"·alt="BALL::TSimpleBox3&lt;·float·&gt;"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../da/dd2/a04898.html"·alt="BALL::TSimpleBox3&lt;·float·&gt;"·shape="rect"·coords="0,0,180,24"/>
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211 <tr·class="memitem:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"·id="r_ad4e0a36e9d526c64bb23c383e43f0562"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a04898.html#ad4e0a36e9d526c64bb23c383e43f0562">b</a></td></tr>211 <tr·class="memitem:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"·id="r_ad4e0a36e9d526c64bb23c383e43f0562"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a04898.html#ad4e0a36e9d526c64bb23c383e43f0562">b</a></td></tr>
212 <tr·class="separator:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>212 <tr·class="separator:ad4e0a36e9d526c64bb23c383e43f0562·inherit·pub_attribs_a04898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
213 </table>213 </table>
214 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>214 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
215 <div·class="textblock"><p><a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·class.·<br··/>215 <div·class="textblock"><p><a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·class.·<br··/>
216 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·simple·box.·A·simpleBox·is·a·box·whose·sides·are·parallel·to·the·coordinate·axes.·The·class·<a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·SimpleBox3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>216 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·simple·box.·A·simpleBox·is·a·box·whose·sides·are·parallel·to·the·coordinate·axes.·The·class·<a·class="el"·href="../../d9/d08/a08198.html">SimpleBox</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·SimpleBox3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
217 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d80/a00614_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d80/a00614_source.html">simpleBox.h</a>.</p>217 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d70/a01415_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d70/a01415_source.html">simpleBox.h</a>.</p>
218 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>218 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
219 <a·id="a3b3befd3539981d9deaf2a2dd89cfa1b"·name="a3b3befd3539981d9deaf2a2dd89cfa1b"></a>219 <a·id="a3b3befd3539981d9deaf2a2dd89cfa1b"·name="a3b3befd3539981d9deaf2a2dd89cfa1b"></a>
220 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b3befd3539981d9deaf2a2dd89cfa1b">&#9670;&#160;</a></span>SimpleBox()·<span·class="overload">[1/2]</span></h2>220 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b3befd3539981d9deaf2a2dd89cfa1b">&#9670;&#160;</a></span>SimpleBox()·<span·class="overload">[1/2]</span></h2>
  
221 <div·class="memitem">221 <div·class="memitem">
222 <div·class="memproto">222 <div·class="memproto">
223 ······<table·class="memname">223 ······<table·class="memname">
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73 </div>73 </div>
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66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
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77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">path.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">solvation.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div> 
86 <p><a·href="../../d9/d17/a01937_source.html">Go·to·the·source·code·of·this·file.</a></p> 
87 <table·class="memberdecls"> 
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89 Classes</h2></td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a07410.html">BALL::Path</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
94 Namespaces</h2></td></tr> 
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d9/d17/a06734.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d9/d17/a06734.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d9/d17/a06734.html#details">More...</a></p>83 ·<a·href="../../d9/d17/a06734.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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89 <tr·class="separator:a9468ec22e76684b8c512b9a07222a79b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a9468ec22e76684b8c512b9a07222a79b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d9/d17/a06734.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d9/d17/a06734.html"·title="Option·names.">Option</a>·names.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a9468ec22e76684b8c512b9a07222a79b"·name="a9468ec22e76684b8c512b9a07222a79b"></a>95 <a·id="a9468ec22e76684b8c512b9a07222a79b"·name="a9468ec22e76684b8c512b9a07222a79b"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9468ec22e76684b8c512b9a07222a79b">&#9670;&#160;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9468ec22e76684b8c512b9a07222a79b">&#9670;&#160;</a></span>BRANCH_AND_BOUND_CUTOFF</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>the·percentage·cutoff·for·keeping·PQ-Entries·in·the·branch·and·bound·algorithm.·<a·class="el"·href="../../d4/d54/a06738.html">Default</a>·is·1.2.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::AlgorithmBRANCH_AND_BOUND;·</dd></dl>117 <p>the·percentage·cutoff·for·keeping·PQ-Entries·in·the·branch·and·bound·algorithm.·<a·class="el"·href="../../d4/d54/a06738.html">Default</a>·is·1.2.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::AlgorithmBRANCH_AND_BOUND;·</dd></dl>
118 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>118 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 </div><!--·contents·-->122 </div><!--·contents·-->
123 <!--·start·footer·part·-->123 <!--·start·footer·part·-->
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">MMFF94NonBonded.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">flexDefinition.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/MOLMEC/MMFF94/MMFF94Processors.h</a>&gt;</code><br·/> 
86 </div>82 </div>
87 <p><a·href="../../d9/d1b/a01583_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d9/d1b/a01583_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">84 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>86 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/de6/a05234.html">BALL::MMFF94NonBonded</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d2b/a03662.html">BALL::FlexDefinition</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d66/a05238.html">BALL::MMFF94NonBonded::NonBondedPairData</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls"> 
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
102 Macros</h2></td></tr> 
103 <tr·class="memitem:a9746ad13906fe1b8c1838b832c182118"·id="r_a9746ad13906fe1b8c1838b832c182118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d1b/a01583.html#a9746ad13906fe1b8c1838b832c182118">MMFF94_ES_ENABLED</a>&#160;&#160;&#160;&quot;enable·ES&quot;</td></tr> 
104 <tr·class="memdesc:a9746ad13906fe1b8c1838b832c182118"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·ES··<br·/></td></tr> 
105 <tr·class="separator:a9746ad13906fe1b8c1838b832c182118"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:a9d1d480f49368b04abd31ea9ef6b70fc"·id="r_a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d1b/a01583.html#a9d1d480f49368b04abd31ea9ef6b70fc">MMFF94_VDW_ENABLED</a>&#160;&#160;&#160;&quot;enable·VDW&quot;</td></tr> 
107 <tr·class="memdesc:a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·VDW··<br·/></td></tr> 
108 <tr·class="separator:a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
109 </table>94 </table>
110 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
111 <a·id="a9746ad13906fe1b8c1838b832c182118"·name="a9746ad13906fe1b8c1838b832c182118"></a> 
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a9746ad13906fe1b8c1838b832c182118">&#9670;&#160;</a></span>MMFF94_ES_ENABLED</h2> 
  
113 <div·class="memitem"> 
114 <div·class="memproto"> 
115 ······<table·class="memname"> 
116 ········<tr> 
117 ··········<td·class="memname">#define·MMFF94_ES_ENABLED&#160;&#160;&#160;&quot;enable·ES&quot;</td> 
118 ········</tr> 
119 ······</table> 
120 </div><div·class="memdoc"> 
  
121 <p>flag·to·enable·ES·</p> 
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">MMFF94NonBonded.h</a>.</p> 
  
123 </div> 
124 </div> 
125 <a·id="a9d1d480f49368b04abd31ea9ef6b70fc"·name="a9d1d480f49368b04abd31ea9ef6b70fc"></a> 
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d1d480f49368b04abd31ea9ef6b70fc">&#9670;&#160;</a></span>MMFF94_VDW_ENABLED</h2> 
  
127 <div·class="memitem"> 
128 <div·class="memproto"> 
129 ······<table·class="memname"> 
130 ········<tr> 
131 ··········<td·class="memname">#define·MMFF94_VDW_ENABLED&#160;&#160;&#160;&quot;enable·VDW&quot;</td> 
132 ········</tr> 
133 ······</table> 
134 </div><div·class="memdoc"> 
  
135 <p>flag·to·enable·VDW·</p> 
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d1b/a01583_source.html#l00055">55</a>·of·file·<a·class="el"·href="../../d9/d1b/a01583_source.html">MMFF94NonBonded.h</a>.</p> 
  
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138 </div> 
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142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 <a·href="#pro-slots">Protected·Slots</a>·&#124;80 <a·href="#pro-slots">Protected·Slots</a>·&#124;
81 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;81 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
82 <a·href="../../dd/d5b/a08491.html">List·of·all·members</a>··</div>82 <a·href="../../dd/d5b/a08491.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropertyEditor·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropertyEditor·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::PropertyEditor:</div>88 Inheritance·diagram·for·BALL::VIEW::PropertyEditor:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d9/d20/a08494.png"·usemap="#BALL::VIEW::PropertyEditor_map"·alt=""/>91 ··<img·src="../../d9/d20/a08494.png"·usemap="#BALL::VIEW::PropertyEditor_map"·alt=""/>
92 ··<map·id="BALL::VIEW::PropertyEditor_map"·name="BALL::VIEW::PropertyEditor_map">92 ··<map·id="BALL::VIEW::PropertyEditor_map"·name="BALL::VIEW::PropertyEditor_map">
93 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,168,24"/>93 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,168,24"/>
Offset 157, 15 lines modifiedOffset 157, 15 lines modified
157 <tr·class="separator:a570e943f398f8ed10c10ecb9ae9db643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:a570e943f398f8ed10c10ecb9ae9db643"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 <tr·class="memitem:a24c90825f61945a71bf91b6af7f0067c"·id="r_a24c90825f61945a71bf91b6af7f0067c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a08494.html#a24c90825f61945a71bf91b6af7f0067c">deleteProperty_</a>·(<a·class="el"·href="../../d1/d8b/a08454.html">PropEditorWidget</a>·*editor)</td></tr>158 <tr·class="memitem:a24c90825f61945a71bf91b6af7f0067c"·id="r_a24c90825f61945a71bf91b6af7f0067c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d20/a08494.html#a24c90825f61945a71bf91b6af7f0067c">deleteProperty_</a>·(<a·class="el"·href="../../d1/d8b/a08454.html">PropEditorWidget</a>·*editor)</td></tr>
159 <tr·class="separator:a24c90825f61945a71bf91b6af7f0067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>159 <tr·class="separator:a24c90825f61945a71bf91b6af7f0067c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
160 </table>160 </table>
161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
162 <div·class="textblock"><p>A·widget·providing·editor·capabilities·for·arbitrary·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·objects.·The·widget·provides·a·read-only·mode·as·well·as·controls·to·add,·delete·and·duplicate·properties.·Currently·only·NamedProperties·are·supported.·</p>162 <div·class="textblock"><p>A·widget·providing·editor·capabilities·for·arbitrary·<a·class="el"·href="../../d3/d67/a03354.html">PropertyManager</a>·objects.·The·widget·provides·a·read-only·mode·as·well·as·controls·to·add,·delete·and·duplicate·properties.·Currently·only·NamedProperties·are·supported.·</p>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00281">281</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00281">281</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
165 <a·id="a55ca1d53ebaf5bd1e62819acc533dc10"·name="a55ca1d53ebaf5bd1e62819acc533dc10"></a>165 <a·id="a55ca1d53ebaf5bd1e62819acc533dc10"·name="a55ca1d53ebaf5bd1e62819acc533dc10"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#a55ca1d53ebaf5bd1e62819acc533dc10">&#9670;&#160;</a></span>PropertyEditor()·<span·class="overload">[1/2]</span></h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a55ca1d53ebaf5bd1e62819acc533dc10">&#9670;&#160;</a></span>PropertyEditor()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·staticLigandFragment.h·File·Reference</title>8 <title>BALL:·openSavePreferences.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">staticLigandFragment.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">openSavePreferences.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>82 <code>#include·&lt;BALL/VIEW/UIC/ui_openSavePreferences.h&gt;</code><br·/>
 83 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d9/d25/a01157_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/d25/a01157_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a03722.html">BALL::StaticLigandFragment</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6a/a07670.html">BALL::VIEW::OpenSavePreferences</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html">BALL::StaticLigandFragment::Connection</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>98 </table>
98 </div><!--·contents·-->99 </div><!--·contents·-->
99 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
102 </small></address>103 </small></address>
103 </body>104 </body>
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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8 <title>BALL:·partialBondOrderAssignment.h·File·Reference</title>8 <title>BALL:·hybridisationProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">partialBondOrderAssignment.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">hybridisationProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
84 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
85 <code>#include·&lt;vector&gt;</code><br·/>87 <code>#include·&lt;map&gt;</code><br·/>
86 </div>88 </div>
87 <p><a·href="../../d9/d27/a01763_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../d9/d27/a01763_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">90 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>92 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dc7/a06818.html">BALL::PartialBondOrderAssignment</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/deb/a06942.html">BALL::HybridisationProcessor</a></td></tr>
92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·full·or·partial·solution·to·the·AStar-based·bond·order·assignment·problem.··<a·href="../../db/dc7/a06818.html#details">More...</a><br·/></td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d21/a06946.html">BALL::HybridisationProcessor::Option</a></td></tr>
 96 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d0/d21/a06946.html"·title="Option·names.">Option</a>·names.··<a·href="../../d0/d21/a06946.html#details">More...</a><br·/></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d30/a06950.html">BALL::HybridisationProcessor::Default</a></td></tr>
 99 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/d30/a06950.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d7/d30/a06950.html#details">More...</a><br·/></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d1d/a06954.html">BALL::HybridisationProcessor::Method</a></td></tr>
 102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dce/a06958.html">BALL::HybridisationProcessor::Elements_</a></td></tr>
 104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcb/a06962.html">BALL::HybridisationProcessor::AtomNames_</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">107 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>109 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>110 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>112 </table>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../dd/d99/a07323.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d99/a07323.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TriangulatedSphere·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TriangulatedSphere:</div>84 Inheritance·diagram·for·BALL::TriangulatedSphere:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d2a/a07326.png"·usemap="#BALL::TriangulatedSphere_map"·alt=""/>87 ··<img·src="../../d9/d2a/a07326.png"·usemap="#BALL::TriangulatedSphere_map"·alt=""/>
88 ··<map·id="BALL::TriangulatedSphere_map"·name="BALL::TriangulatedSphere_map">88 ··<map·id="BALL::TriangulatedSphere_map"·name="BALL::TriangulatedSphere_map">
89 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>89 <area·href="../../d5/d6f/a07322.html"·alt="BALL::TriangulatedSurface"·shape="rect"·coords="0,0,164,24"/>
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247 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>247 <tr·class="memitem:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"·id="r_a2b3bca766e09149b94f1e3c0534c125f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html#a2b3bca766e09149b94f1e3c0534c125f">density_</a></td></tr>
248 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:a2b3bca766e09149b94f1e3c0534c125f·inherit·pro_attribs_a07322"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d9/d2a/a07326.html">TriangulatedSphere</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>251 <div·class="textblock"><p>Generic·<a·class="el"·href="../../d9/d2a/a07326.html">TriangulatedSphere</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
252 <dl·class="section·user"><dt></dt><dd></dd></dl>252 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dc3/a01787_source.html#l00387">387</a>·of·file·<a·class="el"·href="../../de/dc3/a01787_source.html">triangulatedSurface.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00387">387</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">triangulatedSurface.h</a>.</p>
254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
255 <a·id="a46b60ed554a930d3985dc91815e5d2e9"·name="a46b60ed554a930d3985dc91815e5d2e9"></a>255 <a·id="a46b60ed554a930d3985dc91815e5d2e9"·name="a46b60ed554a930d3985dc91815e5d2e9"></a>
256 <h2·class="memtitle"><span·class="permalink"><a·href="#a46b60ed554a930d3985dc91815e5d2e9">&#9670;&#160;</a></span>TriangulatedSphere()·<span·class="overload">[1/2]</span></h2>256 <h2·class="memtitle"><span·class="permalink"><a·href="#a46b60ed554a930d3985dc91815e5d2e9">&#9670;&#160;</a></span>TriangulatedSphere()·<span·class="overload">[1/2]</span></h2>
  
257 <div·class="memitem">257 <div·class="memitem">
258 <div·class="memproto">258 <div·class="memproto">
259 ······<table·class="memname">259 ······<table·class="memname">
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8 <title>BALL:·secondaryStructure.h·File·Reference</title>8 <title>BALL:·embeddable.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">secondaryStructure.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">embeddable.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;typeinfo&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../d9/d30/a00848_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d9/d30/a00848_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>90 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dad/a04630.html">BALL::SecondaryStructure</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html">BALL::Embeddable</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table><table·class="memberdecls">
 99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 100 Macros</h2></td></tr>
 101 <tr·class="memitem:a3b71888e44546068e37b21d2be0f9e24"·id="r_a3b71888e44546068e37b21d2be0f9e24"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d30/a00848.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE</a>(TYPE,··BASE)</td></tr>
 102 <tr·class="separator:a3b71888e44546068e37b21d2be0f9e24"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>103 </table>
 104 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 105 <a·id="a3b71888e44546068e37b21d2be0f9e24"·name="a3b71888e44546068e37b21d2be0f9e24"></a>
 106 <h2·class="memtitle"><span·class="permalink"><a·href="#a3b71888e44546068e37b21d2be0f9e24">&#9670;&#160;</a></span>BALL_EMBEDDABLE</h2>
  
 107 <div·class="memitem">
 108 <div·class="memproto">
 109 ······<table·class="memname">
 110 ········<tr>
 111 ··········<td·class="memname">#define·BALL_EMBEDDABLE</td>
 112 ··········<td>(</td>
 113 ··········<td·class="paramtype">&#160;</td>
 114 ··········<td·class="paramname">TYPE,·</td>
 115 ········</tr>
 116 ········<tr>
 117 ··········<td·class="paramkey"></td>
 118 ··········<td></td>
 119 ··········<td·class="paramtype">&#160;</td>
 120 ··········<td·class="paramname">BASE&#160;</td>
 121 ········</tr>
 122 ········<tr>
 123 ··········<td></td>
 124 ··········<td>)</td>
 125 ··········<td></td><td></td>
 126 ········</tr>
 127 ······</table>
 128 </div><div·class="memdoc">
 129 <p>Embeddable·macro.·This·macro·defines·all·methods·required·for·clases·derived·from·Embeddable.·It·should·be·included·in·the·class·definition·of·each·of·these·classes,·even·for·classes·further·down·in·the·inheritance.·The·argument·ist·just·the·class·type,·e.g.·BALL::ModularWidget.·</p>
  
 130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
  
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 132 </div>
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8 <title>BALL:·pluginManager.h·File·Reference</title>8 <title>BALL:·serverPreferences.h·File·Reference</title>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pluginManager.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">serverPreferences.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QHash&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/> 
87 <code>#include·&lt;QtCore/QReadWriteLock&gt;</code><br·/> 
88 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
89 <code>#include·&lt;list&gt;</code><br·/>82 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>
90 <code>#include·&lt;map&gt;</code><br·/>83 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/>
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 85 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
91 </div>86 </div>
92 <p><a·href="../../d9/d31/a01208_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d9/d31/a01208_source.html">Go·to·the·source·code·of·this·file.</a></p>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">minimizationDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">featureSelection.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_minimizationDialog.h&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;set&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../d9/d34/a00476_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d9/d34/a00476_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>97 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d47/a08103.html">List·of·all·members</a>··</div>78 <a·href="../../db/d47/a08103.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CustomColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CustomColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::CustomColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::CustomColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d36/a08106.png"·usemap="#BALL::VIEW::CustomColorProcessor_map"·alt=""/>87 ··<img·src="../../d9/d36/a08106.png"·usemap="#BALL::VIEW::CustomColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::CustomColorProcessor_map"·name="BALL::VIEW::CustomColorProcessor_map">88 ··<map·id="BALL::VIEW::CustomColorProcessor_map"·name="BALL::VIEW::CustomColorProcessor_map">
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217 </table>217 </table>
218 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>218 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
219 <div·class="textblock"><p><a·class="el"·href="../../d9/d36/a08106.html">CustomColorProcessor</a>·colorizes·every·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·with·the·default·color.·</p>219 <div·class="textblock"><p><a·class="el"·href="../../d9/d36/a08106.html">CustomColorProcessor</a>·colorizes·every·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·with·the·default·color.·</p>
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
221 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>221 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
222 <a·id="a803e5aa14e46cf8543a133121c709384"·name="a803e5aa14e46cf8543a133121c709384"></a>222 <a·id="a803e5aa14e46cf8543a133121c709384"·name="a803e5aa14e46cf8543a133121c709384"></a>
223 <h2·class="memtitle"><span·class="permalink"><a·href="#a803e5aa14e46cf8543a133121c709384">&#9670;&#160;</a></span>CustomColorProcessor()</h2>223 <h2·class="memtitle"><span·class="permalink"><a·href="#a803e5aa14e46cf8543a133121c709384">&#9670;&#160;</a></span>CustomColorProcessor()</h2>
  
224 <div·class="memitem">224 <div·class="memitem">
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247 </div>247 </div>
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250 <h2·class="memtitle"><span·class="permalink"><a·href="#af34c904c043e1c4f2d5494ff4502c11d">&#9670;&#160;</a></span>canUseMeshShortcut_()</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#af34c904c043e1c4f2d5494ff4502c11d">&#9670;&#160;</a></span>canUseMeshShortcut_()</h2>
  
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271 ··</tr>271 ··</tr>
272 </table>272 </table>
273 </div><div·class="memdoc">273 </div><div·class="memdoc">
  
274 <p>Reimplemented·from·<a·class="el"·href="../../db/d56/a08042.html#a5e98bfa525952c9de1f97d8a3534a381">BALL::VIEW::ColorProcessor</a>.</p>274 <p>Reimplemented·from·<a·class="el"·href="../../db/d56/a08042.html#a5e98bfa525952c9de1f97d8a3534a381">BALL::VIEW::ColorProcessor</a>.</p>
  
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
86 </div>86 </div>
87 <p><a·href="../../d9/d37/a01754_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d9/d37/a01754_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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83 <code>#include·&lt;BALL/VIEW/UIC/ui_atomOverview.h&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../d9/d42/a00575_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d9/d42/a00575_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
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106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 </div><!--header-->76 </div><!--header-->
80 <div·class="contents">77 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d2c/a00764_source.html">BALL/SYSTEM/directory.h</a>&gt;</code><br·/>
82 <code>#include·&lt;BALL/VIEW/UIC/ui_parsedFunctionDialog.h&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../d5/de8/a00749_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;BALL/SYSTEM/socket.h&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
84 </div>83 </div>
85 <p><a·href="../../d9/d44/a00527_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d9/d44/a00527_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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80 ··<div·class="headertitle"><div·class="title">BALL::Exception::FileNotFound·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::FileNotFound·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::FileNotFound:</div>85 Inheritance·diagram·for·BALL::Exception::FileNotFound:</div>
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 69 <div·id="nav-path"·class="navpath">
 70 ··<ul>
 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
71 ··<div·class="headertitle"><div·class="title">dialogs.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">validation.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;iterator&gt;</code><br·/>
 83 </div>
 84 <p><a·href="../../d9/d4a/a00479_source.html">Go·to·the·source·code·of·this·file.</a></p>
 85 <table·class="memberdecls">
 86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 87 Classes</h2></td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html">BALL::QSAR::Validation</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 92 Namespaces</h2></td></tr>
 93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table>
74 </div><!--·contents·-->98 </div><!--·contents·-->
75 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
76 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 </body>103 </body>
80 </html>104 </html>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/d73/a03203.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d73/a03203.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AutoDeletable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AutoDeletable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d68/a01385_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AutoDeletable:</div>83 Inheritance·diagram·for·BALL::AutoDeletable:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d4f/a03206.png"·usemap="#BALL::AutoDeletable_map"·alt=""/>86 ··<img·src="../../d9/d4f/a03206.png"·usemap="#BALL::AutoDeletable_map"·alt=""/>
87 ··<map·id="BALL::AutoDeletable_map"·name="BALL::AutoDeletable_map">87 ··<map·id="BALL::AutoDeletable_map"·name="BALL::AutoDeletable_map">
88 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="115,56,336,80"/>88 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="115,56,336,80"/>
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134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
135 <div·class="textblock"><p>Auto-deletable·concept.·This·class·allows·the·distinction·between·objects·that·may·be·deleted·automatically·(because·they·are·created·dynamically·on·the·heap)·and·instances·that·are·static·and·should·not·be·deleted·automatically.·</p><dl·class="section·user"><dt></dt><dd>Standard·application·is·the·class·<a·class="el"·href="../../d8/deb/a03246.html">Composite·</a>·.·Composites·may·contain·other·composites·(tree-like·structure).·If·a·composite·is·deleted,·it·has·to·decide·whether·all·composites·contained·therein·are·to·be·deleted,·too.·If·these·composites·are·static·objects,·calling·their·destructor·often·is·fatal!·The·same·is·true·for·objects·contained·in·an·array.·Therefore,·composite·is·derived·from·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable·</a>·.·</dd></dl>135 <div·class="textblock"><p>Auto-deletable·concept.·This·class·allows·the·distinction·between·objects·that·may·be·deleted·automatically·(because·they·are·created·dynamically·on·the·heap)·and·instances·that·are·static·and·should·not·be·deleted·automatically.·</p><dl·class="section·user"><dt></dt><dd>Standard·application·is·the·class·<a·class="el"·href="../../d8/deb/a03246.html">Composite·</a>·.·Composites·may·contain·other·composites·(tree-like·structure).·If·a·composite·is·deleted,·it·has·to·decide·whether·all·composites·contained·therein·are·to·be·deleted,·too.·If·these·composites·are·static·objects,·calling·their·destructor·often·is·fatal!·The·same·is·true·for·objects·contained·in·an·array.·Therefore,·composite·is·derived·from·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable·</a>·.·</dd></dl>
136 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·class·determines·whether·it·was·instantiated·via·<b>new</b>·and·then·sets·an·internal·flag·to·false.·The·mechanism·to·determine·this·is·as·follows:·</dd></dl>136 <dl·class="section·user"><dt></dt><dd>The·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·class·determines·whether·it·was·instantiated·via·<b>new</b>·and·then·sets·an·internal·flag·to·false.·The·mechanism·to·determine·this·is·as·follows:·</dd></dl>
137 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·has·on·overloaded·new·operator.·When·invoked,·this·operator·allocates·storage·for·an·instance·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·using·the·global·new·operator·and·remembers·the·address·of·in·a·private·variable·<b>last_ptr_</b>.·Each·constructor·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·checks·whether·its·<b>this</b>·pointer·is·equal·to·the·address·stored·in·<b>last_ptr_</b>.·If·both·pointers·are·equal,·the·object·has·been·created·using·the·new·operator·and·so·it·is·safe·to·delete·it·automatically.·If·the·adresses·do·not·match,·the·object·is·either·part·of·an·array·or·static·and·should·not·be·deleted·automatically.·</dd></dl>137 <dl·class="section·user"><dt></dt><dd><a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·has·on·overloaded·new·operator.·When·invoked,·this·operator·allocates·storage·for·an·instance·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·using·the·global·new·operator·and·remembers·the·address·of·in·a·private·variable·<b>last_ptr_</b>.·Each·constructor·of·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·checks·whether·its·<b>this</b>·pointer·is·equal·to·the·address·stored·in·<b>last_ptr_</b>.·If·both·pointers·are·equal,·the·object·has·been·created·using·the·new·operator·and·so·it·is·safe·to·delete·it·automatically.·If·the·adresses·do·not·match,·the·object·is·either·part·of·an·array·or·static·and·should·not·be·deleted·automatically.·</dd></dl>
138 <dl·class="section·user"><dt></dt><dd>The·state·of·each·object·may·be·changed·after·it·is·constructed·by·a·call·to·<a·class="el"·href="../../d9/d4f/a03206.html#a243883209b9742cd43e8527938747e39">setAutoDeletable·</a>·.·This·might·be·useful·to·protect·certain·instances·of·objects,·however·usually·this·should·not·be·neccessary.·</dd></dl>138 <dl·class="section·user"><dt></dt><dd>The·state·of·each·object·may·be·changed·after·it·is·constructed·by·a·call·to·<a·class="el"·href="../../d9/d4f/a03206.html#a243883209b9742cd43e8527938747e39">setAutoDeletable·</a>·.·This·might·be·useful·to·protect·certain·instances·of·objects,·however·usually·this·should·not·be·neccessary.·</dd></dl>
139 <dl·class="section·user"><dt></dt><dd></dd></dl>139 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">autoDeletable.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d96/a00782_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../da/d96/a00782_source.html">autoDeletable.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="aa8188705f71608f89f5a267a2b7e9295"·name="aa8188705f71608f89f5a267a2b7e9295"></a>142 <a·id="aa8188705f71608f89f5a267a2b7e9295"·name="aa8188705f71608f89f5a267a2b7e9295"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#aa8188705f71608f89f5a267a2b7e9295">&#9670;&#160;</a></span>~AutoDeletable()</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#aa8188705f71608f89f5a267a2b7e9295">&#9670;&#160;</a></span>~AutoDeletable()</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 <table·class="mlabels">146 <table·class="mlabels">
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247 ··</td>247 ··</td>
248 ··<td·class="mlabels-right">248 ··<td·class="mlabels-right">
249 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>249 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
250 ··</tr>250 ··</tr>
251 </table>251 </table>
252 </div><div·class="memdoc">252 </div><div·class="memdoc">
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d68/a01385_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../df/d68/a01385_source.html">autoDeletable.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d96/a00782_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../da/d96/a00782_source.html">autoDeletable.h</a>.</p>
  
254 </div>254 </div>
255 </div>255 </div>
256 <a·id="abcdf8033fe271b1b844562155c432da7"·name="abcdf8033fe271b1b844562155c432da7"></a>256 <a·id="abcdf8033fe271b1b844562155c432da7"·name="abcdf8033fe271b1b844562155c432da7"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#abcdf8033fe271b1b844562155c432da7">&#9670;&#160;</a></span>isAutoDeletable()</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#abcdf8033fe271b1b844562155c432da7">&#9670;&#160;</a></span>isAutoDeletable()</h2>
  
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77 <a·href="#pub-slots">Public·Slots</a>·&#124;77 <a·href="#pub-slots">Public·Slots</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d3/da5/a07555.html">List·of·all·members</a>··</div>79 <a·href="../../d3/da5/a07555.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CompositeProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::CompositeProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/VIEW/DIALOGS/compositeProperties.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d6/dae/a01304_source.html">BALL/VIEW/DIALOGS/compositeProperties.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::CompositeProperties:</div>85 Inheritance·diagram·for·BALL::VIEW::CompositeProperties:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/d53/a07558.png"·usemap="#BALL::VIEW::CompositeProperties_map"·alt=""/>88 ··<img·src="../../d9/d53/a07558.png"·usemap="#BALL::VIEW::CompositeProperties_map"·alt=""/>
89 ··<map·id="BALL::VIEW::CompositeProperties_map"·name="BALL::VIEW::CompositeProperties_map">89 ··<map·id="BALL::VIEW::CompositeProperties_map"·name="BALL::VIEW::CompositeProperties_map">
90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,202,24"/>
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103 <tr·class="separator:af1f00fdbd11a4807bca9c38111009b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:af1f00fdbd11a4807bca9c38111009b74"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 <tr·class="memitem:a07a6ad903c175b4dfec472c171b82eb2"·id="r_a07a6ad903c175b4dfec472c171b82eb2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07558.html#a07a6ad903c175b4dfec472c171b82eb2">~CompositeProperties</a>·()</td></tr>104 <tr·class="memitem:a07a6ad903c175b4dfec472c171b82eb2"·id="r_a07a6ad903c175b4dfec472c171b82eb2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d53/a07558.html#a07a6ad903c175b4dfec472c171b82eb2">~CompositeProperties</a>·()</td></tr>
105 <tr·class="separator:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a07a6ad903c175b4dfec472c171b82eb2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><p>Dialog·for·showing·and·changing·the·properties·of·an·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·e.g.·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·or·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>.·</p>108 <div·class="textblock"><p>Dialog·for·showing·and·changing·the·properties·of·an·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·e.g.·an·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·or·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>.·</p>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d19/a00560_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/d19/a00560_source.html">compositeProperties.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dae/a01304_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/dae/a01304_source.html">compositeProperties.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="af1f00fdbd11a4807bca9c38111009b74"·name="af1f00fdbd11a4807bca9c38111009b74"></a>111 <a·id="af1f00fdbd11a4807bca9c38111009b74"·name="af1f00fdbd11a4807bca9c38111009b74"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#af1f00fdbd11a4807bca9c38111009b74">&#9670;&#160;</a></span>CompositeProperties()</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#af1f00fdbd11a4807bca9c38111009b74">&#9670;&#160;</a></span>CompositeProperties()</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
115 ······<table·class="memname">115 ······<table·class="memname">
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79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d9/d58/a06810.html#details">More...</a></p>83 ·<a·href="../../d9/d58/a06810.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a0040acb0d00ad0fe1e5b988c905e07b2"·id="r_a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html#a0040acb0d00ad0fe1e5b988c905e07b2">GREEDY_K_SIZE</a></td></tr>88 <tr·class="memitem:a0040acb0d00ad0fe1e5b988c905e07b2"·id="r_a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html#a0040acb0d00ad0fe1e5b988c905e07b2">GREEDY_K_SIZE</a></td></tr>
89 <tr·class="separator:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a0040acb0d00ad0fe1e5b988c905e07b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">KGreedyBondOrderStrategy.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a0040acb0d00ad0fe1e5b988c905e07b2"·name="a0040acb0d00ad0fe1e5b988c905e07b2"></a>95 <a·id="a0040acb0d00ad0fe1e5b988c905e07b2"·name="a0040acb0d00ad0fe1e5b988c905e07b2"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a0040acb0d00ad0fe1e5b988c905e07b2">&#9670;&#160;</a></span>GREEDY_K_SIZE</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a0040acb0d00ad0fe1e5b988c905e07b2">&#9670;&#160;</a></span>GREEDY_K_SIZE</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>the·size·of·priority·queue·for·the·greedy·algorithm.·<a·class="el"·href="../../d4/d85/a06814.html">Default</a>·is·1.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Algorithm::K_GREEDY;·</dd></dl>117 <p>the·size·of·priority·queue·for·the·greedy·algorithm.·<a·class="el"·href="../../d4/d85/a06814.html">Default</a>·is·1.·</p><dl·class="section·see"><dt>See·also</dt><dd>Option::Algorithm::K_GREEDY;·</dd></dl>
118 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>118 <dl·class="section·user"><dt></dt><dd><b>NOTE:</b>·This·option·is·still·experimental.·</dd></dl>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">KGreedyBondOrderStrategy.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
  
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121 </div>121 </div>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d0b/a06107.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d0b/a06107.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVRModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVRModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d39/a00950_source.html">BALL/QSAR/svrModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/QSAR/svrModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::SVRModel:</div>83 Inheritance·diagram·for·BALL::QSAR::SVRModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d59/a06110.png"·usemap="#BALL::QSAR::SVRModel_map"·alt=""/>86 ··<img·src="../../d9/d59/a06110.png"·usemap="#BALL::QSAR::SVRModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::SVRModel_map"·name="BALL::QSAR::SVRModel_map">87 ··<map·id="BALL::QSAR::SVRModel_map"·name="BALL::QSAR::SVRModel_map">
88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>88 <area·href="../../db/dd1/a05730.html"·alt="BALL::QSAR::KernelModel"·shape="rect"·coords="0,168,188,192"/>
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267 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>267 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
268 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>268 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
269 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>269 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
270 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>270 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
271 </table>271 </table>
272 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>272 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
273 <div·class="textblock">273 <div·class="textblock">
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d39/a00950_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/d39/a00950_source.html">svrModel.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc6/a00347_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d1/dc6/a00347_source.html">svrModel.h</a>.</p>
275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>275 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
276 <a·id="a49933f2e3493d8791e190200811f9911"·name="a49933f2e3493d8791e190200811f9911"></a>276 <a·id="a49933f2e3493d8791e190200811f9911"·name="a49933f2e3493d8791e190200811f9911"></a>
277 <h2·class="memtitle"><span·class="permalink"><a·href="#a49933f2e3493d8791e190200811f9911">&#9670;&#160;</a></span>SVRModel()</h2>277 <h2·class="memtitle"><span·class="permalink"><a·href="#a49933f2e3493d8791e190200811f9911">&#9670;&#160;</a></span>SVRModel()</h2>
  
278 <div·class="memitem">278 <div·class="memitem">
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280 ······<table·class="memname">280 ······<table·class="memname">
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8 <title>BALL:·rotateBond.h·File·Reference</title>8 <title>BALL:·pyWidget.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rotateBond.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyWidget.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/>
 86 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/>
 87 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/>
 88 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/>
 89 <code>#include·&lt;QtWidgets/QComboBox&gt;</code><br·/>
 90 <code>#include·&lt;QtWidgets/QTabWidget&gt;</code><br·/>
 91 <code>#include·&lt;QtGui/QSyntaxHighlighter&gt;</code><br·/>
 92 <code>#include·&lt;QtGui/QValidator&gt;</code><br·/>
 93 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/>
 94 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
84 </div>95 </div>
85 <p><a·href="../../d9/d5b/a01127_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../d9/d5b/a01127_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">97 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>99 Classes</h2></td></tr>
 100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/daf/a08498.html">BALL::VIEW::PythonHighlighter</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html">BALL::RotateBond</a></td></tr>102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html">BALL::VIEW::PythonValidator</a></td></tr>
 103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d22/a08506.html">BALL::VIEW::RunPythonThread</a></td></tr>
 105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d3b/a08510.html">BALL::VIEW::Hotkey</a></td></tr>
 107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 108 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d7f/a08514.html">BALL::VIEW::PyWidget</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">110 </table><table·class="memberdecls">
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93 Namespaces</h2></td></tr>112 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>113 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 115 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../d5/dd8/a03083.html">List·of·all·members</a>··</div>78 <a·href="../../d5/dd8/a03083.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalSelfOperation·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalSelfOperation·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
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87 ··<img·src="../../d9/d5e/a03086.png"·usemap="#BALL::Exception::IllegalSelfOperation_map"·alt=""/>87 ··<img·src="../../d9/d5e/a03086.png"·usemap="#BALL::Exception::IllegalSelfOperation_map"·alt=""/>
88 ··<map·id="BALL::Exception::IllegalSelfOperation_map"·name="BALL::Exception::IllegalSelfOperation_map">88 ··<map·id="BALL::Exception::IllegalSelfOperation_map"·name="BALL::Exception::IllegalSelfOperation_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Illegal·self·operation.·Throw·this·excpetion·to·indicate·an·invalid·operation·on·the·object·itself.·In·general·these·operations·are·self·assignments·or·related·methods.·</p>143 <div·class="textblock"><p>Illegal·self·operation.·Throw·this·excpetion·to·indicate·an·invalid·operation·on·the·object·itself.·In·general·these·operations·are·self·assignments·or·related·methods.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ad7637acfda49d4bcb0c8e51c3cd407b6"·name="ad7637acfda49d4bcb0c8e51c3cd407b6"></a>146 <a·id="ad7637acfda49d4bcb0c8e51c3cd407b6"·name="ad7637acfda49d4bcb0c8e51c3cd407b6"></a>
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78 <a·href="../../dc/daf/a05399.html">List·of·all·members</a>··</div>78 <a·href="../../dc/daf/a05399.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Data·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Data·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/ddd/a01655_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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91 <tr·class="separator:a20f736c35026ccd7975e251c493fe748"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a20f736c35026ccd7975e251c493fe748"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom1</td>103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::Potential1210::Data::atom1</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a2c82cca9c5c452c79ef12406c331a55b"·name="a2c82cca9c5c452c79ef12406c331a55b"></a>110 <a·id="a2c82cca9c5c452c79ef12406c331a55b"·name="a2c82cca9c5c452c79ef12406c331a55b"></a>
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126 </div>126 </div>
127 </div>127 </div>
128 <a·id="a20f736c35026ccd7975e251c493fe748"·name="a20f736c35026ccd7975e251c493fe748"></a>128 <a·id="a20f736c35026ccd7975e251c493fe748"·name="a20f736c35026ccd7975e251c493fe748"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a20f736c35026ccd7975e251c493fe748">&#9670;&#160;</a></span>values</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a20f736c35026ccd7975e251c493fe748">&#9670;&#160;</a></span>values</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../df/d45/a05398.html">Values</a>·BALL::Potential1210::Data::values</td>137 ··········<td·class="memname"><a·class="el"·href="../../df/d45/a05398.html">Values</a>·BALL::Potential1210::Data::values</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
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147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d5/d25/a08467.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d25/a08467.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FloatEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FloatEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/d62/a08470.png"·usemap="#BALL::VIEW::FloatEditorWidget_map"·alt=""/>88 ··<img·src="../../d9/d62/a08470.png"·usemap="#BALL::VIEW::FloatEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::FloatEditorWidget_map"·name="BALL::VIEW::FloatEditorWidget_map">89 ··<map·id="BALL::VIEW::FloatEditorWidget_map"·name="BALL::VIEW::FloatEditorWidget_map">
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140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="ab775a7f5962f8c9dcb8e2f44e7633c88"·name="ab775a7f5962f8c9dcb8e2f44e7633c88"></a>147 <a·id="ab775a7f5962f8c9dcb8e2f44e7633c88"·name="ab775a7f5962f8c9dcb8e2f44e7633c88"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ab775a7f5962f8c9dcb8e2f44e7633c88">&#9670;&#160;</a></span>FloatEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ab775a7f5962f8c9dcb8e2f44e7633c88">&#9670;&#160;</a></span>FloatEditorWidget()</h2>
  
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8 <title>BALL:·atomBijection.h·File·Reference</title>8 <title>BALL:·triangulatedSES.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">atomBijection.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">triangulatedSES.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;list&gt;</code><br·/>
 92 <code>#include·&lt;vector&gt;</code><br·/>
84 </div>93 </div>
85 <p><a·href="../../d9/d63/a01877_source.html">Go·to·the·source·code·of·this·file.</a></p>94 <p><a·href="../../d9/d63/a01877_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">95 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>97 Classes</h2></td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/de5/a07314.html">BALL::TriangulatedSES</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dc9/a06650.html">BALL::AtomBijection</a></td></tr>100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html">BALL::SESTriangulator</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">102 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>104 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/da4/a07871.html">List·of·all·members</a>··</div>78 <a·href="../../d3/da4/a07871.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FinishedSimulationMessage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FinishedSimulationMessage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::FinishedSimulationMessage:</div>84 Inheritance·diagram·for·BALL::VIEW::FinishedSimulationMessage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d64/a07874.png"·usemap="#BALL::VIEW::FinishedSimulationMessage_map"·alt=""/>87 ··<img·src="../../d9/d64/a07874.png"·usemap="#BALL::VIEW::FinishedSimulationMessage_map"·alt=""/>
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112 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a87214db6ae48007398e7af3d53608a8f·inherit·pub_methods_a07818"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>113 <tr·class="memitem:ae19b07d7124aa7e7295d1e4c9da099da·inherit·pub_methods_a07818"·id="r_ae19b07d7124aa7e7295d1e4c9da099da"><td·class="memItemLeft"·align="right"·valign="top">boost::any·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d6e/a07818.html#ae19b07d7124aa7e7295d1e4c9da099da">data</a>·()</td></tr>
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115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock">117 <div·class="textblock">
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="a7b05d9adc3408b2a596abd6486f4d233"·name="a7b05d9adc3408b2a596abd6486f4d233"></a>120 <a·id="a7b05d9adc3408b2a596abd6486f4d233"·name="a7b05d9adc3408b2a596abd6486f4d233"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b05d9adc3408b2a596abd6486f4d233">&#9670;&#160;</a></span>FinishedSimulationMessage()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b05d9adc3408b2a596abd6486f4d233">&#9670;&#160;</a></span>FinishedSimulationMessage()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
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124 ······<table·class="memname">124 ······<table·class="memname">
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8 <title>BALL:·structurePreparer.h·File·Reference</title>8 <title>BALL:·modularWidgetPlugin.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">structurePreparer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modularWidgetPlugin.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/STRUCTURE/addHydrogenProcessor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
83 <code>#include·&lt;set&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../d9/d65/a01145_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d9/d65/a01145_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html">BALL::StructurePreparer</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html">BALL::VIEW::ModularWidgetPlugin</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>97 </table>
97 </div><!--·contents·-->98 </div><!--·contents·-->
98 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
99 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/de4/a03655.html">List·of·all·members</a>··</div>78 <a·href="../../de/de4/a03655.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Compare_·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Compare_·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d28/a01133_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a032697542d2da778e300d5c35616a42f"·id="r_a032697542d2da778e300d5c35616a42f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a032697542d2da778e300d5c35616a42f">Compare_</a>·()··throw·()</td></tr>86 <tr·class="memitem:a032697542d2da778e300d5c35616a42f"·id="r_a032697542d2da778e300d5c35616a42f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a032697542d2da778e300d5c35616a42f">Compare_</a>·()··throw·()</td></tr>
87 <tr·class="separator:a032697542d2da778e300d5c35616a42f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a032697542d2da778e300d5c35616a42f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aa349ced280678c5201f6baed1cbbee02"·id="r_aa349ced280678c5201f6baed1cbbee02"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#aa349ced280678c5201f6baed1cbbee02">~Compare_</a>·()··throw·()</td></tr>88 <tr·class="memitem:aa349ced280678c5201f6baed1cbbee02"·id="r_aa349ced280678c5201f6baed1cbbee02"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#aa349ced280678c5201f6baed1cbbee02">~Compare_</a>·()··throw·()</td></tr>
89 <tr·class="separator:aa349ced280678c5201f6baed1cbbee02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa349ced280678c5201f6baed1cbbee02"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a1020093a384496b617e7d243504c7105"·id="r_a1020093a384496b617e7d243504c7105"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a1020093a384496b617e7d243504c7105">operator()</a>·(const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;a,·const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;b)·const··throw·()</td></tr>90 <tr·class="memitem:a1020093a384496b617e7d243504c7105"·id="r_a1020093a384496b617e7d243504c7105"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d68/a03658.html#a1020093a384496b617e7d243504c7105">operator()</a>·(const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;a,·const·<a·class="el"·href="../../d6/d81/a03630.html#ab1522298103379bd9dda926b719e2f27">ConformationSet::Conformation</a>·&amp;b)·const··throw·()</td></tr>
91 <tr·class="separator:a1020093a384496b617e7d243504c7105"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a1020093a384496b617e7d243504c7105"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·is·needed·for·the·sorting·of·the·vector·of·Conformations·in·<a·class="el"·href="../../d9/d3c/a03650.html#a1d1b52a17842cf7856e9f56ff028aea4">addScoring(const·String&amp;·name,·const·Options&amp;·options,·const·vector·&lt;·ConformationSet::Conformation·&gt;·&amp;·scores)</a>.·The·vector·should·be·sorted·by·the·score·values.·</p>94 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·is·needed·for·the·sorting·of·the·vector·of·Conformations·in·<a·class="el"·href="../../d9/d3c/a03650.html#a1d1b52a17842cf7856e9f56ff028aea4">addScoring(const·String&amp;·name,·const·Options&amp;·options,·const·vector·&lt;·ConformationSet::Conformation·&gt;·&amp;·scores)</a>.·The·vector·should·be·sorted·by·the·score·values.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00260">260</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="a032697542d2da778e300d5c35616a42f"·name="a032697542d2da778e300d5c35616a42f"></a>97 <a·id="a032697542d2da778e300d5c35616a42f"·name="a032697542d2da778e300d5c35616a42f"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a032697542d2da778e300d5c35616a42f">&#9670;&#160;</a></span>Compare_()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a032697542d2da778e300d5c35616a42f">&#9670;&#160;</a></span>Compare_()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
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3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
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8 <title>BALL:·comparator.h·File·Reference</title>8 <title>BALL:·twoColoredTube.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">comparator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">twoColoredTube.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;BALL/VIEW/PRIMITIVES/twoColoredTube.iC&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../d9/d6e/a01409_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d9/d6e/a01409_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>89 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d19/a03242.html">BALL::Comparator&lt;·T·&gt;</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/ded/a08214.html">BALL::VIEW::TwoColoredTube</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/dd2/a04543.html">List·of·all·members</a>··</div>78 <a·href="../../d5/dd2/a04543.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MoleculeIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MoleculeIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/KERNEL/moleculeIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/da3/a00593_source.html">BALL/KERNEL/moleculeIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::MoleculeIteratorTraits:</div>84 Inheritance·diagram·for·BALL::MoleculeIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d6e/a04546.png"·usemap="#BALL::MoleculeIteratorTraits_map"·alt=""/>87 ··<img·src="../../d9/d6e/a04546.png"·usemap="#BALL::MoleculeIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::MoleculeIteratorTraits_map"·name="BALL::MoleculeIteratorTraits_map">88 ··<map·id="BALL::MoleculeIteratorTraits_map"·name="BALL::MoleculeIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>MoleculeIteratorTratis_·</p>196 <div·class="textblock"><p>MoleculeIteratorTratis_·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">moleculeIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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200 <h2·class="memtitle"><span·class="permalink"><a·href="#a66c02e3932f20e73817d6f2bf2fdeba1">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a66c02e3932f20e73817d6f2bf2fdeba1">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
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218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">moleculeIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
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224 </div>224 </div>
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226 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c0840c957a2f6e968f1725da6a9aaca">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c0840c957a2f6e968f1725da6a9aaca">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
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244 ··</td>244 ··</td>
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246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">moleculeIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="a148239e7226b5624d553564d4a929886"·name="a148239e7226b5624d553564d4a929886"></a>253 <a·id="a148239e7226b5624d553564d4a929886"·name="a148239e7226b5624d553564d4a929886"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a148239e7226b5624d553564d4a929886">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a148239e7226b5624d553564d4a929886">&#9670;&#160;</a></span>MoleculeIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
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282 ··</td>282 ··</td>
283 ··<td·class="mlabels-right">283 ··<td·class="mlabels-right">
284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
285 ··</tr>285 ··</tr>
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288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">moleculeIterator.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <h2·class="groupheader">Member·Function·Documentation</h2>291 <h2·class="groupheader">Member·Function·Documentation</h2>
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293 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a13420d0a33ff9fcbcc8aaf1b6b20d4">&#9670;&#160;</a></span>operator=()</h2>293 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a13420d0a33ff9fcbcc8aaf1b6b20d4">&#9670;&#160;</a></span>operator=()</h2>
  
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
  
317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0e/a00800_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../df/d0e/a00800_source.html">moleculeIterator.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">moleculeIterator.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
320 <a·id="a279f534b20860b307b7897fe9970f856"·name="a279f534b20860b307b7897fe9970f856"></a>320 <a·id="a279f534b20860b307b7897fe9970f856"·name="a279f534b20860b307b7897fe9970f856"></a>
321 <h2·class="memtitle"><span·class="permalink"><a·href="#a279f534b20860b307b7897fe9970f856">&#9670;&#160;</a></span>resetPredicate()</h2>321 <h2·class="memtitle"><span·class="permalink"><a·href="#a279f534b20860b307b7897fe9970f856">&#9670;&#160;</a></span>resetPredicate()</h2>
  
322 <div·class="memitem">322 <div·class="memitem">
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338 ··</td>338 ··</td>
339 ··<td·class="mlabels-right">339 ··<td·class="mlabels-right">
340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
341 ··</tr>341 ··</tr>
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346 </div>346 </div>
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348 <!--·start·footer·part·-->348 <!--·start·footer·part·-->
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350 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8350 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">bidirectionalIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">renderer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/CONCEPT/object.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/dd6/a00272_source.html">BALL/MATHS/vector2.h</a>&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../d9/d6f/a01445_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d9/d6f/a01445_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>89 Classes</h2></td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html">BALL::VIEW::Renderer</a></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a03222.html">BALL::ConstBidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr> 
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d6e/a03226.html">BALL::BidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr> 
90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Mutable·bidirectional·iterator.··<a·href="../../dd/d6e/a03226.html#details">More...</a><br·/></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>99 </table>
98 </div><!--·contents·-->100 </div><!--·contents·-->
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100 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../db/d47/a06387.html">List·of·all·members</a>··</div>79 <a·href="../../db/d47/a06387.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldEvaluation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../de/df6/a02197.html">Docking·of·molecular·structures</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2e/a02051_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d52/a02027_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::ForceFieldEvaluation:</div>85 Inheritance·diagram·for·BALL::ForceFieldEvaluation:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/d71/a06390.png"·usemap="#BALL::ForceFieldEvaluation_map"·alt=""/>88 ··<img·src="../../d9/d71/a06390.png"·usemap="#BALL::ForceFieldEvaluation_map"·alt=""/>
89 ··<map·id="BALL::ForceFieldEvaluation_map"·name="BALL::ForceFieldEvaluation_map">89 ··<map·id="BALL::ForceFieldEvaluation_map"·name="BALL::ForceFieldEvaluation_map">
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130 <tr·class="separator:a4b5d31bdbf9361f9bcd382b67eb47ed8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a4b5d31bdbf9361f9bcd382b67eb47ed8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247"·id="r_ad1e4605c0017cce793fd9463884c5247"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>131 <tr·class="memitem:ad1e4605c0017cce793fd9463884c5247"·id="r_ad1e4605c0017cce793fd9463884c5247"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d71/a06390.html#ad1e4605c0017cce793fd9463884c5247">delete_force_field_</a></td></tr>
132 <tr·class="separator:ad1e4605c0017cce793fd9463884c5247"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:ad1e4605c0017cce793fd9463884c5247"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 </table>133 </table>
134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>134 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
135 <div·class="textblock"><p>Base·class·for·energetic·evaluators·of·docking·results·using·a·force·field·as·scoring·function.·</p>135 <div·class="textblock"><p>Base·class·for·energetic·evaluators·of·docking·results·using·a·force·field·as·scoring·function.·</p>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">forceFieldEvaluation.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>137 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
138 <a·id="a3d8d201e70a570682e588c312080b167"·name="a3d8d201e70a570682e588c312080b167"></a>138 <a·id="a3d8d201e70a570682e588c312080b167"·name="a3d8d201e70a570682e588c312080b167"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d8d201e70a570682e588c312080b167">&#9670;&#160;</a></span>ForceFieldEvaluation()·<span·class="overload">[1/2]</span></h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d8d201e70a570682e588c312080b167">&#9670;&#160;</a></span>ForceFieldEvaluation()·<span·class="overload">[1/2]</span></h2>
  
140 <div·class="memitem">140 <div·class="memitem">
141 <div·class="memproto">141 <div·class="memproto">
142 ······<table·class="memname">142 ······<table·class="memname">
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409 ··</td>409 ··</td>
410 ··<td·class="mlabels-right">410 ··<td·class="mlabels-right">
411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
412 ··</tr>412 ··</tr>
413 </table>413 </table>
414 </div><div·class="memdoc">414 </div><div·class="memdoc">
  
415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">forceFieldEvaluation.h</a>.</p>415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
  
416 </div>416 </div>
417 </div>417 </div>
418 <a·id="a9dda7175aa6a5789933bdd0fc6edc0ba"·name="a9dda7175aa6a5789933bdd0fc6edc0ba"></a>418 <a·id="a9dda7175aa6a5789933bdd0fc6edc0ba"·name="a9dda7175aa6a5789933bdd0fc6edc0ba"></a>
419 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dda7175aa6a5789933bdd0fc6edc0ba">&#9670;&#160;</a></span>ff_</h2>419 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dda7175aa6a5789933bdd0fc6edc0ba">&#9670;&#160;</a></span>ff_</h2>
  
420 <div·class="memitem">420 <div·class="memitem">
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433 ··</td>433 ··</td>
434 ··<td·class="mlabels-right">434 ··<td·class="mlabels-right">
435 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>435 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
436 ··</tr>436 ··</tr>
437 </table>437 </table>
438 </div><div·class="memdoc">438 </div><div·class="memdoc">
  
439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">forceFieldEvaluation.h</a>.</p>439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
  
440 </div>440 </div>
441 </div>441 </div>
442 <a·id="a4b5d31bdbf9361f9bcd382b67eb47ed8"·name="a4b5d31bdbf9361f9bcd382b67eb47ed8"></a>442 <a·id="a4b5d31bdbf9361f9bcd382b67eb47ed8"·name="a4b5d31bdbf9361f9bcd382b67eb47ed8"></a>
443 <h2·class="memtitle"><span·class="permalink"><a·href="#a4b5d31bdbf9361f9bcd382b67eb47ed8">&#9670;&#160;</a></span>options_</h2>443 <h2·class="memtitle"><span·class="permalink"><a·href="#a4b5d31bdbf9361f9bcd382b67eb47ed8">&#9670;&#160;</a></span>options_</h2>
  
444 <div·class="memitem">444 <div·class="memitem">
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457 ··</td>457 ··</td>
458 ··<td·class="mlabels-right">458 ··<td·class="mlabels-right">
459 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>459 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
460 ··</tr>460 ··</tr>
461 </table>461 </table>
462 </div><div·class="memdoc">462 </div><div·class="memdoc">
  
463 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2e/a02051_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d4/d2e/a02051_source.html">forceFieldEvaluation.h</a>.</p>463 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d52/a02027_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../df/d52/a02027_source.html">forceFieldEvaluation.h</a>.</p>
  
464 </div>464 </div>
465 </div>465 </div>
466 </div><!--·contents·-->466 </div><!--·contents·-->
467 <!--·start·footer·part·-->467 <!--·start·footer·part·-->
468 <hr·class="footer"/><address·class="footer"><small>468 <hr·class="footer"/><address·class="footer"><small>
469 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8469 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../dd/d41/a03079.html">List·of·all·members</a>··</div>79 <a·href="../../dd/d41/a03079.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidFormat·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidFormat·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::InvalidFormat:</div>85 Inheritance·diagram·for·BALL::Exception::InvalidFormat:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/d74/a03082.png"·usemap="#BALL::Exception::InvalidFormat_map"·alt=""/>88 ··<img·src="../../d9/d74/a03082.png"·usemap="#BALL::Exception::InvalidFormat_map"·alt=""/>
89 ··<map·id="BALL::Exception::InvalidFormat_map"·name="BALL::Exception::InvalidFormat_map">89 ··<map·id="BALL::Exception::InvalidFormat_map"·name="BALL::Exception::InvalidFormat_map">
90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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143 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>144 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
145 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>145 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
146 </table>146 </table>
147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>147 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
148 <div·class="textblock"><p>Invalid·format.·This·exception·indicates·a·conversion·problem·when·converting·from·one·type·to·another.·It·is·thrown,·if·a·conversion·from·ascii·to·numeric·formats·or·vice·versa·failed.·</p>148 <div·class="textblock"><p>Invalid·format.·This·exception·indicates·a·conversion·problem·when·converting·from·one·type·to·another.·It·is·thrown,·if·a·conversion·from·ascii·to·numeric·formats·or·vice·versa·failed.·</p>
  
149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>149 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>150 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
151 <a·id="a836400b3d6a43ff6e7a6c9cdc190a581"·name="a836400b3d6a43ff6e7a6c9cdc190a581"></a>151 <a·id="a836400b3d6a43ff6e7a6c9cdc190a581"·name="a836400b3d6a43ff6e7a6c9cdc190a581"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a836400b3d6a43ff6e7a6c9cdc190a581">&#9670;&#160;</a></span>InvalidFormat()</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a836400b3d6a43ff6e7a6c9cdc190a581">&#9670;&#160;</a></span>InvalidFormat()</h2>
  
153 <div·class="memitem">153 <div·class="memitem">
154 <div·class="memproto">154 <div·class="memproto">
155 ······<table·class="memname">155 ······<table·class="memname">
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223 ··</td>223 ··</td>
224 ··<td·class="mlabels-right">224 ··<td·class="mlabels-right">
225 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>225 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
226 ··</tr>226 ··</tr>
227 </table>227 </table>
228 </div><div·class="memdoc">228 </div><div·class="memdoc">
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00239">239</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
230 </div>230 </div>
231 </div>231 </div>
232 </div><!--·contents·-->232 </div><!--·contents·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">cosineTorsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">smartsMatcher.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;vector&gt;</code><br·/>
 83 <code>#include·&lt;set&gt;</code><br·/>
 84 <code>#include·&lt;map&gt;</code><br·/>
 85 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../d9/d79/a01658_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../d9/d79/a01658_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">core·structure·of·the·recursive·matching·algorithm·for·the·object·pool··<a·href="../../d6/dc7/a07206.html#details">More...</a><br·/></td></tr>
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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 100 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">a·wrapper·class·which·is·used·as·an·interface·in·the·matching·code·to·the·pool··<a·href="../../de/dfd/a07214.html#details">More...</a><br·/></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 ··<div·class="headertitle"><div·class="title">BALL::DoubleBondsPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::DoubleBondsPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d82/a04718.png"·usemap="#BALL::DoubleBondsPredicate_map"·alt=""/>87 ··<img·src="../../d9/d82/a04718.png"·usemap="#BALL::DoubleBondsPredicate_map"·alt=""/>
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135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p>Predicate·for·atoms·bearing·double·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>140 <div·class="textblock"><p>Predicate·for·atoms·bearing·double·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00396">396</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00396">396</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
142 </div><h2·class="groupheader">Member·Function·Documentation</h2>142 </div><h2·class="groupheader">Member·Function·Documentation</h2>
143 <a·id="a32cf96ade2e10aabb0d2cd277d7f4083"·name="a32cf96ade2e10aabb0d2cd277d7f4083"></a>143 <a·id="a32cf96ade2e10aabb0d2cd277d7f4083"·name="a32cf96ade2e10aabb0d2cd277d7f4083"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a32cf96ade2e10aabb0d2cd277d7f4083">&#9670;&#160;</a></span>operator()()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a32cf96ade2e10aabb0d2cd277d7f4083">&#9670;&#160;</a></span>operator()()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#namespaces">Namespaces</a>·&#124; 
77 <a·href="#func-members">Functions</a>·&#124; 
78 <a·href="#var-members">Variables</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">global.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">kernel.doc·File·Reference</div></div>
80 </div><!--header-->72 </div><!--header-->
81 <div·class="contents">73 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
84 </div> 
85 <p><a·href="../../d9/d82/a20353_source.html">Go·to·the·source·code·of·this·file.</a></p> 
86 <table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
88 Namespaces</h2></td></tr> 
89 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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91 </table><table·class="memberdecls"> 
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
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94 <tr·class="memitem:ga606e7cf4f00ec0ac7e090f3adabc45bf"·id="r_ga606e7cf4f00ec0ac7e090f3adabc45bf"><td·class="memTemplParams"·colspan="2">template&lt;class·AtomContainerType·&gt;·</td></tr> 
95 <tr·class="memitem:ga606e7cf4f00ec0ac7e090f3adabc45bf"><td·class="memTemplItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../d2/d08/a02148.html#ga606e7cf4f00ec0ac7e090f3adabc45bf">BALL::cloneBonds</a>·(const·AtomContainerType·&amp;atom_container,·AtomContainerType·&amp;cloned)</td></tr> 
96 <tr·class="separator:ga606e7cf4f00ec0ac7e090f3adabc45bf"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a> 
99 Variables</h2></td></tr> 
100 <tr·class="memitem:ga555d0dd88b8e023ca32d3d0a0fb2b18b"·id="r_ga555d0dd88b8e023ca32d3d0a0fb2b18b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d08/a02148.html#ga555d0dd88b8e023ca32d3d0a0fb2b18b">BALL::clone_bonds</a></td></tr> 
101 <tr·class="separator:ga555d0dd88b8e023ca32d3d0a0fb2b18b"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table> 
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105 <hr·class="footer"/><address·class="footer"><small>76 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d4/dd6/a04031.html">List·of·all·members</a>··</div>79 <a·href="../../d4/dd6/a04031.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::ShiftReferenceSet·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::ShiftReferenceSet·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a4e76526b66cfba481e8f387419d4a188"·id="r_a4e76526b66cfba481e8f387419d4a188"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a4e76526b66cfba481e8f387419d4a188">ShiftReferenceSet</a>·()</td></tr>87 <tr·class="memitem:a4e76526b66cfba481e8f387419d4a188"·id="r_a4e76526b66cfba481e8f387419d4a188"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a4e76526b66cfba481e8f387419d4a188">ShiftReferenceSet</a>·()</td></tr>
88 <tr·class="separator:a4e76526b66cfba481e8f387419d4a188"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a4e76526b66cfba481e8f387419d4a188"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="separator:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a3de3edaeeb0cbab6578fd8aaacba3d60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 <tr·class="separator:ae812fd81bc8abc8ef8ebb44c38eb19ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:ae812fd81bc8abc8ef8ebb44c38eb19ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a75442668f47993bdfdbb1b9e9d1db0b5"·id="r_a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a75442668f47993bdfdbb1b9e9d1db0b5">elements</a></td></tr>97 <tr·class="memitem:a75442668f47993bdfdbb1b9e9d1db0b5"·id="r_a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d85/a04034.html#a75442668f47993bdfdbb1b9e9d1db0b5">elements</a></td></tr>
98 <tr·class="separator:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a75442668f47993bdfdbb1b9e9d1db0b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p><a·class="el"·href="../../d9/d85/a04034.html">ShiftReferenceSet</a>.·This·class·includes·all·information·for·all·sets·of·shift·references·for·several·atom·types·delivered·by·a·NMRStar·file.·All·members·are·public·for·easy·access.·</p>101 <div·class="textblock"><p><a·class="el"·href="../../d9/d85/a04034.html">ShiftReferenceSet</a>.·This·class·includes·all·information·for·all·sets·of·shift·references·for·several·atom·types·delivered·by·a·NMRStar·file.·All·members·are·public·for·easy·access.·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00221">221</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a4e76526b66cfba481e8f387419d4a188"·name="a4e76526b66cfba481e8f387419d4a188"></a>104 <a·id="a4e76526b66cfba481e8f387419d4a188"·name="a4e76526b66cfba481e8f387419d4a188"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e76526b66cfba481e8f387419d4a188">&#9670;&#160;</a></span>ShiftReferenceSet()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a4e76526b66cfba481e8f387419d4a188">&#9670;&#160;</a></span>ShiftReferenceSet()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
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147 ······<table·class="memname">147 ······<table·class="memname">
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149 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>&gt;·BALL::NMRStarFile::ShiftReferenceSet::elements</td>149 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../d2/d95/a04030.html">ShiftReferenceElement</a>&gt;·BALL::NMRStarFile::ShiftReferenceSet::elements</td>
150 ········</tr>150 ········</tr>
151 ······</table>151 ······</table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <a·id="ae812fd81bc8abc8ef8ebb44c38eb19ac"·name="ae812fd81bc8abc8ef8ebb44c38eb19ac"></a>156 <a·id="ae812fd81bc8abc8ef8ebb44c38eb19ac"·name="ae812fd81bc8abc8ef8ebb44c38eb19ac"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#ae812fd81bc8abc8ef8ebb44c38eb19ac">&#9670;&#160;</a></span>name</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#ae812fd81bc8abc8ef8ebb44c38eb19ac">&#9670;&#160;</a></span>name</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
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163 ······<table·class="memname">163 ······<table·class="memname">
164 ········<tr>164 ········<tr>
165 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::ShiftReferenceSet::name</td>165 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::NMRStarFile::ShiftReferenceSet::name</td>
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167 ······</table>167 ······</table>
168 </div><div·class="memdoc">168 </div><div·class="memdoc">
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">NMRStarFile.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d40/a00959_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../db/d40/a00959_source.html">NMRStarFile.h</a>.</p>
  
170 </div>170 </div>
171 </div>171 </div>
172 </div><!--·contents·-->172 </div><!--·contents·-->
173 <!--·start·footer·part·-->173 <!--·start·footer·part·-->
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175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../d7/dd6/a08395.html">List·of·all·members</a>··</div>82 <a·href="../../d7/dd6/a08395.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridColorWidget·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GridColorWidget·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d8/d8e/a00344_source.html">BALL/VIEW/WIDGETS/gridColorWidget.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d2/d4d/a01079_source.html">BALL/VIEW/WIDGETS/gridColorWidget.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::GridColorWidget:</div>88 Inheritance·diagram·for·BALL::VIEW::GridColorWidget:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d9/d86/a08398.png"·usemap="#BALL::VIEW::GridColorWidget_map"·alt=""/>91 ··<img·src="../../d9/d86/a08398.png"·usemap="#BALL::VIEW::GridColorWidget_map"·alt=""/>
92 ··<map·id="BALL::VIEW::GridColorWidget_map"·name="BALL::VIEW::GridColorWidget_map">92 ··<map·id="BALL::VIEW::GridColorWidget_map"·name="BALL::VIEW::GridColorWidget_map">
93 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,179,24"/>93 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,179,24"/>
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176 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>176 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
177 Protected·Attributes</h2></td></tr>177 Protected·Attributes</h2></td></tr>
178 <tr·class="memitem:a3794016a83455897bd82a03ce2aae4f1"·id="r_a3794016a83455897bd82a03ce2aae4f1"><td·class="memItemLeft"·align="right"·valign="top">Ui::GridColorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d86/a08398.html#a3794016a83455897bd82a03ce2aae4f1">ui</a></td></tr>178 <tr·class="memitem:a3794016a83455897bd82a03ce2aae4f1"·id="r_a3794016a83455897bd82a03ce2aae4f1"><td·class="memItemLeft"·align="right"·valign="top">Ui::GridColorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d86/a08398.html#a3794016a83455897bd82a03ce2aae4f1">ui</a></td></tr>
179 <tr·class="separator:a3794016a83455897bd82a03ce2aae4f1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>179 <tr·class="separator:a3794016a83455897bd82a03ce2aae4f1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
180 </table>180 </table>
181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
182 <div·class="textblock">182 <div·class="textblock">
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d8e/a00344_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d8/d8e/a00344_source.html">gridColorWidget.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d4d/a01079_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../d2/d4d/a01079_source.html">gridColorWidget.h</a>.</p>
184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="aacc18408b7caf436ee6edc69b2f69e03"·name="aacc18408b7caf436ee6edc69b2f69e03"></a>185 <a·id="aacc18408b7caf436ee6edc69b2f69e03"·name="aacc18408b7caf436ee6edc69b2f69e03"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#aacc18408b7caf436ee6edc69b2f69e03">&#9670;&#160;</a></span>GridColorWidget()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#aacc18408b7caf436ee6edc69b2f69e03">&#9670;&#160;</a></span>GridColorWidget()</h2>
  
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937 </div>937 </div>
938 </div>938 </div>
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67 </div>67 </div>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">mainControlPreferences.h·File·Reference</div></div>77 ··<div·class="headertitle"><div·class="title">bondIterator.h·File·Reference</div></div>
79 </div><!--header-->78 </div><!--header-->
80 <div·class="contents">79 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>80 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;BALL/VIEW/UIC/ui_mainControlPreferences.h&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
86 <code>#include·&lt;QtGui/QFont&gt;</code><br·/> 
87 </div>81 </div>
88 <p><a·href="../../d9/d87/a00551_source.html">Go·to·the·source·code·of·this·file.</a></p>82 <p><a·href="../../d9/d87/a00551_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">83 <table·class="memberdecls">
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99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>88 </table><table·class="memberdecls">
 89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 90 Typedefs</h2></td></tr>
 91 <tr><td·colspan="2"><div·class="groupHeader">Typedefs·for·the·various·BondIterators</div></td></tr>
 92 <tr·class="memitem:a8f3171902b9408f5385b8da676f75991"·id="r_a8f3171902b9408f5385b8da676f75991"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/d3c/a04466.html#a73ff40585e99f137cedb8409c1e06584">Atom::BondIterator</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a8f3171902b9408f5385b8da676f75991">BALL::AtomBondIterator</a></td></tr>
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 95 <tr·class="separator:a5b3b1e729d7a3273f9bce1c0fd820123"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 98 <tr·class="memitem:a1cc4b2df7f7df599ff29bc197ae45320"·id="r_a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/d3c/a04466.html#aba8dc0a0935dca6ee494ce608aa41205">Atom::BondConstReverseIterator</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a1cc4b2df7f7df599ff29bc197ae45320">BALL::AtomBondConstReverseIterator</a></td></tr>
 99 <tr·class="separator:a1cc4b2df7f7df599ff29bc197ae45320"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>100 </table>
102 </div><!--·contents·-->101 </div><!--·contents·-->
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">smartsMatcher.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">mutator.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0f/a01727_source.html">BALL/STRUCTURE/smartsParser.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 <code>#include·&lt;set&gt;</code><br·/> 
85 <code>#include·&lt;map&gt;</code><br·/> 
86 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../d9/d88/a01823_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/d88/a01823_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d8d/a07202.html">BALL::SmartsMatcher</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dde/a06982.html">BALL::Mutator</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dc7/a07206.html">BALL::SmartsMatcher::RecStructCore_</a></td></tr> 
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">core·structure·of·the·recursive·matching·algorithm·for·the·object·pool··<a·href="../../d6/dc7/a07206.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc6/a07210.html">BALL::SmartsMatcher::RecStructPool_</a></td></tr> 
98 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">class·which·does·the·pool·operations·of·the·<a·class="el"·href="../../d6/dc7/a07206.html"·title="core·structure·of·the·recursive·matching·algorithm·for·the·object·pool">RecStructCore_</a>·pool··<a·href="../../d7/dc6/a07210.html#details">More...</a><br·/></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dfd/a07214.html">BALL::SmartsMatcher::RecStruct_</a></td></tr> 
101 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">a·wrapper·class·which·is·used·as·an·interface·in·the·matching·code·to·the·pool··<a·href="../../de/dfd/a07214.html#details">More...</a><br·/></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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105 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
106 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::HMOFile::HMOCharge·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::HMOFile::HMOCharge·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/FORMAT/HMOFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/FORMAT/HMOFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ad9f0201dd7b8860f3926dd4c90d77a2d"·id="r_ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ad9f0201dd7b8860f3926dd4c90d77a2d">operator==</a>·(const·<a·class="el"·href="../../d9/d8b/a03922.html">HMOCharge</a>·&amp;c)·const</td></tr>87 <tr·class="memitem:ad9f0201dd7b8860f3926dd4c90d77a2d"·id="r_ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ad9f0201dd7b8860f3926dd4c90d77a2d">operator==</a>·(const·<a·class="el"·href="../../d9/d8b/a03922.html">HMOCharge</a>·&amp;c)·const</td></tr>
88 <tr·class="separator:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ad9f0201dd7b8860f3926dd4c90d77a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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93 <tr·class="memitem:a0fc5ea483bcd855091ebf69ccd70bf54"·id="r_a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#a0fc5ea483bcd855091ebf69ccd70bf54">position</a></td></tr>93 <tr·class="memitem:a0fc5ea483bcd855091ebf69ccd70bf54"·id="r_a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#a0fc5ea483bcd855091ebf69ccd70bf54">position</a></td></tr>
94 <tr·class="separator:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a0fc5ea483bcd855091ebf69ccd70bf54"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:ab8c266df95538a19c057c8a5b81a7f13"·id="r_ab8c266df95538a19c057c8a5b81a7f13"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ab8c266df95538a19c057c8a5b81a7f13">value</a></td></tr>95 <tr·class="memitem:ab8c266df95538a19c057c8a5b81a7f13"·id="r_ab8c266df95538a19c057c8a5b81a7f13"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8b/a03922.html#ab8c266df95538a19c057c8a5b81a7f13">value</a></td></tr>
96 <tr·class="separator:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:ab8c266df95538a19c057c8a5b81a7f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock">99 <div·class="textblock">
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">HMOFile.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
101 </div><h2·class="groupheader">Member·Function·Documentation</h2>101 </div><h2·class="groupheader">Member·Function·Documentation</h2>
102 <a·id="ad9f0201dd7b8860f3926dd4c90d77a2d"·name="ad9f0201dd7b8860f3926dd4c90d77a2d"></a>102 <a·id="ad9f0201dd7b8860f3926dd4c90d77a2d"·name="ad9f0201dd7b8860f3926dd4c90d77a2d"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9f0201dd7b8860f3926dd4c90d77a2d">&#9670;&#160;</a></span>operator==()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9f0201dd7b8860f3926dd4c90d77a2d">&#9670;&#160;</a></span>operator==()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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119 ··</td>119 ··</td>
120 ··<td·class="mlabels-right">120 ··<td·class="mlabels-right">
121 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>121 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
122 ··</tr>122 ··</tr>
123 </table>123 </table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">HMOFile.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <h2·class="groupheader">Member·Data·Documentation</h2>128 <h2·class="groupheader">Member·Data·Documentation</h2>
129 <a·id="a0fc5ea483bcd855091ebf69ccd70bf54"·name="a0fc5ea483bcd855091ebf69ccd70bf54"></a>129 <a·id="a0fc5ea483bcd855091ebf69ccd70bf54"·name="a0fc5ea483bcd855091ebf69ccd70bf54"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fc5ea483bcd855091ebf69ccd70bf54">&#9670;&#160;</a></span>position</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fc5ea483bcd855091ebf69ccd70bf54">&#9670;&#160;</a></span>position</h2>
  
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137 ········<tr>137 ········<tr>
138 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::HMOFile::HMOCharge::position</td>138 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::HMOFile::HMOCharge::position</td>
139 ········</tr>139 ········</tr>
140 ······</table>140 ······</table>
141 </div><div·class="memdoc">141 </div><div·class="memdoc">
  
142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">HMOFile.h</a>.</p>142 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
143 </div>143 </div>
144 </div>144 </div>
145 <a·id="ab8c266df95538a19c057c8a5b81a7f13"·name="ab8c266df95538a19c057c8a5b81a7f13"></a>145 <a·id="ab8c266df95538a19c057c8a5b81a7f13"·name="ab8c266df95538a19c057c8a5b81a7f13"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#ab8c266df95538a19c057c8a5b81a7f13">&#9670;&#160;</a></span>value</h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#ab8c266df95538a19c057c8a5b81a7f13">&#9670;&#160;</a></span>value</h2>
  
147 <div·class="memitem">147 <div·class="memitem">
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152 ······<table·class="memname">152 ······<table·class="memname">
153 ········<tr>153 ········<tr>
154 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::HMOFile::HMOCharge::value</td>154 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::HMOFile::HMOCharge::value</td>
155 ········</tr>155 ········</tr>
156 ······</table>156 ······</table>
157 </div><div·class="memdoc">157 </div><div·class="memdoc">
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a01340_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d7/d51/a01340_source.html">HMOFile.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">HMOFile.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 </div><!--·contents·-->161 </div><!--·contents·-->
162 <!--·start·footer·part·-->162 <!--·start·footer·part·-->
163 <hr·class="footer"/><address·class="footer"><small>163 <hr·class="footer"/><address·class="footer"><small>
164 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8164 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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94 ········<tr>94 ········<tr>
95 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga5064f4ce78d2598c86fa41e000f528bc">BALL::Circle3</a></td>95 ··········<td·class="memname">typedef·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga5064f4ce78d2598c86fa41e000f528bc">BALL::Circle3</a></td>
96 ········</tr>96 ········</tr>
97 ······</table>97 ······</table>
98 </div><div·class="memdoc">98 </div><div·class="memdoc">
99 <p>needed·for·windows·dlls·Default·three-dimensional·circle·class·of·type·<b>float</b>·</p>99 <p>needed·for·windows·dlls·Default·three-dimensional·circle·class·of·type·<b>float</b>·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">circle3.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00301">301</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <h2·class="groupheader">Function·Documentation</h2>103 <h2·class="groupheader">Function·Documentation</h2>
104 <a·id="ga8a53e5e9e51c1b15f3d5ee0a14a95077"·name="ga8a53e5e9e51c1b15f3d5ee0a14a95077"></a>104 <a·id="ga8a53e5e9e51c1b15f3d5ee0a14a95077"·name="ga8a53e5e9e51c1b15f3d5ee0a14a95077"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8a53e5e9e51c1b15f3d5ee0a14a95077">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga8a53e5e9e51c1b15f3d5ee0a14a95077">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
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131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p>Output·Operator.·Writes·the·values·of·<code>p</code>,·<code>n</code>,·and·<code>radius</code>·to·an·output·stream.·The·three·values·are·separated·by·spaces·and·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>133 <p>Output·Operator.·Writes·the·values·of·<code>p</code>,·<code>n</code>,·and·<code>radius</code>·to·an·output·stream.·The·three·values·are·separated·by·spaces·and·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>
134 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1)·3.5)</code>·</dd></dl>134 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1)·3.5)</code>·</dd></dl>
135 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>135 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00324">324</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">circle3.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00324">324</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="gae118e927880e9b77d6db7f90481c4b78"·name="gae118e927880e9b77d6db7f90481c4b78"></a>139 <a·id="gae118e927880e9b77d6db7f90481c4b78"·name="gae118e927880e9b77d6db7f90481c4b78"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#gae118e927880e9b77d6db7f90481c4b78">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#gae118e927880e9b77d6db7f90481c4b78">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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164 ··········<td></td><td></td>164 ··········<td></td><td></td>
165 ········</tr>165 ········</tr>
166 ······</table>166 ······</table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
168 <p>Input·operator.·Reads·in·two·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·and·a·<b>T</b>·value:·p,·n,·radius·</p>168 <p>Input·operator.·Reads·in·two·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>·and·a·<b>T</b>·value:·p,·n,·radius·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d57/a00701_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../dd/d57/a00701_source.html">circle3.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc3/a00284_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../db/dc3/a00284_source.html">circle3.h</a>.</p>
  
170 </div>170 </div>
171 </div>171 </div>
172 </div><!--·contents·-->172 </div><!--·contents·-->
173 <!--·start·footer·part·-->173 <!--·start·footer·part·-->
174 <hr·class="footer"/><address·class="footer"><small>174 <hr·class="footer"/><address·class="footer"><small>
175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/d3a/a04439.html">List·of·all·members</a>··</div>77 <a·href="../../d8/d3a/a04439.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SDFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SDFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d95/a01247_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/FORMAT/SDFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::SDFile:</div>83 Inheritance·diagram·for·BALL::SDFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d8d/a04442.png"·usemap="#BALL::SDFile_map"·alt=""/>86 ··<img·src="../../d9/d8d/a04442.png"·usemap="#BALL::SDFile_map"·alt=""/>
87 ··<map·id="BALL::SDFile_map"·name="BALL::SDFile_map">87 ··<map·id="BALL::SDFile_map"·name="BALL::SDFile_map">
88 <area·href="../../d8/d56/a03982.html"·alt="BALL::MOLFile"·shape="rect"·coords="90,504,260,528"/>88 <area·href="../../d8/d56/a03982.html"·alt="BALL::MOLFile"·shape="rect"·coords="90,504,260,528"/>
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446 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>446 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
447 </table>447 </table>
448 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>448 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
449 <div·class="textblock"><p>MDL·SD·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·SD·files.·</p><dl·class="section·user"><dt></dt><dd>A·description·of·this·file·format·(and·the·related·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·<br··/>449 <div·class="textblock"><p>MDL·SD·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MDL·SD·files.·</p><dl·class="section·user"><dt></dt><dd>A·description·of·this·file·format·(and·the·related·<a·class="el"·href="../../d8/d56/a03982.html">MOLFile·</a>·<br··/>
450 ·format)·can·be·obtained·from·the·MDL·webpage·<a·href="http://www.mdli.com">http://www.mdli.com</a>·</dd></dl>450 ·format)·can·be·obtained·from·the·MDL·webpage·<a·href="http://www.mdli.com">http://www.mdli.com</a>·</dd></dl>
451 <dl·class="section·user"><dt></dt><dd></dd></dl>451 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d95/a01247_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d95/a01247_source.html">SDFile.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">SDFile.h</a>.</p>
453 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>453 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
454 <a·id="a17c558b7f182dd45465deca3ae5d8968"·name="a17c558b7f182dd45465deca3ae5d8968"></a>454 <a·id="a17c558b7f182dd45465deca3ae5d8968"·name="a17c558b7f182dd45465deca3ae5d8968"></a>
455 <h2·class="memtitle"><span·class="permalink"><a·href="#a17c558b7f182dd45465deca3ae5d8968">&#9670;&#160;</a></span>SDFile()·<span·class="overload">[1/2]</span></h2>455 <h2·class="memtitle"><span·class="permalink"><a·href="#a17c558b7f182dd45465deca3ae5d8968">&#9670;&#160;</a></span>SDFile()·<span·class="overload">[1/2]</span></h2>
  
456 <div·class="memitem">456 <div·class="memitem">
457 <div·class="memproto">457 <div·class="memproto">
458 ······<table·class="memname">458 ······<table·class="memname">
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812 ··<td·class="mlabels-right">812 ··<td·class="mlabels-right">
813 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>813 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
814 ··</tr>814 ··</tr>
815 </table>815 </table>
816 </div><div·class="memdoc">816 </div><div·class="memdoc">
817 <p>Whether·atoms·and·bonds·should·be·read·</p>817 <p>Whether·atoms·and·bonds·should·be·read·</p>
  
818 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d95/a01247_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../dd/d95/a01247_source.html">SDFile.h</a>.</p>818 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db2/a00869_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d3/db2/a00869_source.html">SDFile.h</a>.</p>
  
819 </div>819 </div>
820 </div>820 </div>
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822 <!--·start·footer·part·-->822 <!--·start·footer·part·-->
823 <hr·class="footer"/><address·class="footer"><small>823 <hr·class="footer"/><address·class="footer"><small>
824 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8824 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/d57/a07027.html">List·of·all·members</a>··</div>77 <a·href="../../d2/d57/a07027.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RDFIntegrator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RDFIntegrator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../de/dfb/a01874_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/RDFIntegrator.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RDFIntegrator:</div>83 Inheritance·diagram·for·BALL::RDFIntegrator:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/d92/a07030.png"·usemap="#BALL::RDFIntegrator_map"·alt=""/>86 ··<img·src="../../d9/d92/a07030.png"·usemap="#BALL::RDFIntegrator_map"·alt=""/>
87 ··<map·id="BALL::RDFIntegrator_map"·name="BALL::RDFIntegrator_map">87 ··<map·id="BALL::RDFIntegrator_map"·name="BALL::RDFIntegrator_map">
88 <area·href="../../dc/dc0/a06506.html"·alt="BALL::Pair6_12RDFIntegrator"·shape="rect"·coords="0,56,179,80"/>88 <area·href="../../dc/dc0/a06506.html"·alt="BALL::Pair6_12RDFIntegrator"·shape="rect"·coords="0,56,179,80"/>
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124 <tr·class="separator:aabdff1634beca722d419e589eada4910"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:aabdff1634beca722d419e589eada4910"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:a41ab1cc48b94f24f294a7a340a8004ce"·id="r_a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html#a41ab1cc48b94f24f294a7a340a8004ce">operator()</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x)·const</td></tr>125 <tr·class="memitem:a41ab1cc48b94f24f294a7a340a8004ce"·id="r_a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d92/a07030.html#a41ab1cc48b94f24f294a7a340a8004ce">operator()</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x)·const</td></tr>
126 <tr·class="separator:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:a41ab1cc48b94f24f294a7a340a8004ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p>Integrator·class·for·radial·distribution·functions.·This·class·provides·the·integration·functionality·needed·for·the·computation·of·interaction·energies.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>129 <div·class="textblock"><p>Integrator·class·for·radial·distribution·functions.·This·class·provides·the·integration·functionality·needed·for·the·computation·of·interaction·energies.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dfb/a01874_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../de/dfb/a01874_source.html">RDFIntegrator.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="a82da50fda5fcbb763011d2a216678560"·name="a82da50fda5fcbb763011d2a216678560"></a>132 <a·id="a82da50fda5fcbb763011d2a216678560"·name="a82da50fda5fcbb763011d2a216678560"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a82da50fda5fcbb763011d2a216678560">&#9670;&#160;</a></span>RDFIntegrator()·<span·class="overload">[1/3]</span></h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a82da50fda5fcbb763011d2a216678560">&#9670;&#160;</a></span>RDFIntegrator()·<span·class="overload">[1/3]</span></h2>
  
134 <div·class="memitem">134 <div·class="memitem">
135 <div·class="memproto">135 <div·class="memproto">
136 ······<table·class="memname">136 ······<table·class="memname">
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426 ··</td>426 ··</td>
427 ··<td·class="mlabels-right">427 ··<td·class="mlabels-right">
428 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>428 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
429 ··</tr>429 ··</tr>
430 </table>430 </table>
431 </div><div·class="memdoc">431 </div><div·class="memdoc">
  
432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dfb/a01874_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../de/dfb/a01874_source.html">RDFIntegrator.h</a>.</p>432 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
  
433 </div>433 </div>
434 </div>434 </div>
435 <a·id="a76f874edbf4c650de38c9e9ba9914724"·name="a76f874edbf4c650de38c9e9ba9914724"></a>435 <a·id="a76f874edbf4c650de38c9e9ba9914724"·name="a76f874edbf4c650de38c9e9ba9914724"></a>
436 <h2·class="memtitle"><span·class="permalink"><a·href="#a76f874edbf4c650de38c9e9ba9914724">&#9670;&#160;</a></span>valid_</h2>436 <h2·class="memtitle"><span·class="permalink"><a·href="#a76f874edbf4c650de38c9e9ba9914724">&#9670;&#160;</a></span>valid_</h2>
  
437 <div·class="memitem">437 <div·class="memitem">
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450 ··</td>450 ··</td>
451 ··<td·class="mlabels-right">451 ··<td·class="mlabels-right">
452 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>452 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
453 ··</tr>453 ··</tr>
454 </table>454 </table>
455 </div><div·class="memdoc">455 </div><div·class="memdoc">
  
456 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dfb/a01874_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../de/dfb/a01874_source.html">RDFIntegrator.h</a>.</p>456 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">RDFIntegrator.h</a>.</p>
  
457 </div>457 </div>
458 </div>458 </div>
459 </div><!--·contents·-->459 </div><!--·contents·-->
460 <!--·start·footer·part·-->460 <!--·start·footer·part·-->
461 <hr·class="footer"/><address·class="footer"><small>461 <hr·class="footer"/><address·class="footer"><small>
462 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8462 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d8/de8/a06243.html">List·of·all·members</a>··</div>78 <a·href="../../d8/de8/a06243.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::CHPISlick:</div>84 Inheritance·diagram·for·BALL::CHPISlick:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d93/a06246.png"·usemap="#BALL::CHPISlick_map"·alt=""/>87 ··<img·src="../../d9/d93/a06246.png"·usemap="#BALL::CHPISlick_map"·alt=""/>
88 ··<map·id="BALL::CHPISlick_map"·name="BALL::CHPISlick_map">88 ··<map·id="BALL::CHPISlick_map"·name="BALL::CHPISlick_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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207 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>207 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
208 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>208 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
209 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>209 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
210 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>210 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
211 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d3/def/a01985.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>214 <div·class="textblock"><p>SLICK·ringstacking·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../da/d14/a02066.html">BALL/SCORING/COMPONENTS/CHPI.h</a>}·</p>
  
215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">CHPISlick.h</a>.</p>215 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>216 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
217 <a·id="a6a18d77fad014144e3ac776871412a07"·name="a6a18d77fad014144e3ac776871412a07"></a>217 <a·id="a6a18d77fad014144e3ac776871412a07"·name="a6a18d77fad014144e3ac776871412a07"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a18d77fad014144e3ac776871412a07">&#9670;&#160;</a></span>CHPISlick()·<span·class="overload">[1/3]</span></h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a6a18d77fad014144e3ac776871412a07">&#9670;&#160;</a></span>CHPISlick()·<span·class="overload">[1/3]</span></h2>
  
219 <div·class="memitem">219 <div·class="memitem">
220 <div·class="memproto">220 <div·class="memproto">
221 ······<table·class="memname">221 ······<table·class="memname">
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459 ········<tr>459 ········<tr>
460 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPISlick::options</td>460 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::CHPISlick::options</td>
461 ········</tr>461 ········</tr>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">addHydrogenProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">energyProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 </div>84 </div>
85 <p><a·href="../../d9/d9b/a01889_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/d9b/a01889_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html">BALL::EnergyProcessor</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d4/d67/a06339.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d67/a06339.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Polarity·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Polarity·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8e/a01979_source.html">BALL/SCORING/COMPONENTS/polarity.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc4/a02042_source.html">BALL/SCORING/COMPONENTS/polarity.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Polarity:</div>84 Inheritance·diagram·for·BALL::Polarity:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/d9c/a06342.png"·usemap="#BALL::Polarity_map"·alt=""/>87 ··<img·src="../../d9/d9c/a06342.png"·usemap="#BALL::Polarity_map"·alt=""/>
88 ··<map·id="BALL::Polarity_map"·name="BALL::Polarity_map">88 ··<map·id="BALL::Polarity_map"·name="BALL::Polarity_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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199 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>199 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
200 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>200 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
201 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>201 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
202 </table>202 </table>
203 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>203 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
204 <div·class="textblock"><p>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>204 <div·class="textblock"><p>Fresno·buried·polar·component.·{\bf·Definition:}·\URL{BALL/DOCKING/SCORING_COMPONENTS/buriedPolar.h}·</p>
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">polarity.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc4/a02042_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/dc4/a02042_source.html">polarity.h</a>.</p>
206 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>206 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
207 <a·id="a4caa3117cb87bfebc87f025717759c8f"·name="a4caa3117cb87bfebc87f025717759c8f"></a>207 <a·id="a4caa3117cb87bfebc87f025717759c8f"·name="a4caa3117cb87bfebc87f025717759c8f"></a>
208 <h2·class="memtitle"><span·class="permalink"><a·href="#a4caa3117cb87bfebc87f025717759c8f">&#9670;&#160;</a></span>Polarity()·<span·class="overload">[1/2]</span></h2>208 <h2·class="memtitle"><span·class="permalink"><a·href="#a4caa3117cb87bfebc87f025717759c8f">&#9670;&#160;</a></span>Polarity()·<span·class="overload">[1/2]</span></h2>
  
209 <div·class="memitem">209 <div·class="memitem">
210 <div·class="memproto">210 <div·class="memproto">
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451 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>451 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
452 ··</tr>452 ··</tr>
453 </table>453 </table>
454 </div><div·class="memdoc">454 </div><div·class="memdoc">
  
455 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">polarity.h</a>.</p>455 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc4/a02042_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d1/dc4/a02042_source.html">polarity.h</a>.</p>
  
456 </div>456 </div>
457 </div>457 </div>
458 <a·id="a0132bd23cd91777f3aba1b8d4319f378"·name="a0132bd23cd91777f3aba1b8d4319f378"></a>458 <a·id="a0132bd23cd91777f3aba1b8d4319f378"·name="a0132bd23cd91777f3aba1b8d4319f378"></a>
459 <h2·class="memtitle"><span·class="permalink"><a·href="#a0132bd23cd91777f3aba1b8d4319f378">&#9670;&#160;</a></span>POL_ES_THRESHOLD</h2>459 <h2·class="memtitle"><span·class="permalink"><a·href="#a0132bd23cd91777f3aba1b8d4319f378">&#9670;&#160;</a></span>POL_ES_THRESHOLD</h2>
  
460 <div·class="memitem">460 <div·class="memitem">
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473 ··</td>473 ··</td>
474 ··<td·class="mlabels-right">474 ··<td·class="mlabels-right">
475 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>475 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
476 ··</tr>476 ··</tr>
477 </table>477 </table>
478 </div><div·class="memdoc">478 </div><div·class="memdoc">
  
479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8e/a01979_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d6/d8e/a01979_source.html">polarity.h</a>.</p>479 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc4/a02042_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d1/dc4/a02042_source.html">polarity.h</a>.</p>
  
480 </div>480 </div>
481 </div>481 </div>
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483 <!--·start·footer·part·-->483 <!--·start·footer·part·-->
484 <hr·class="footer"/><address·class="footer"><small>484 <hr·class="footer"/><address·class="footer"><small>
485 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8485 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">burialDepth.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">scoringOptimizer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../d9/da1/a01976_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d9/da1/a01976_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>86 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dab/a06210.html">BALL::BurialDepth</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dfc/a06182.html">BALL::ScoringOptimizer</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc1/a06186.html">BALL::ScoringOptimizer::Result</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../df/d5e/a05351.html">List·of·all·members</a>··</div>78 <a·href="../../df/d5e/a05351.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CharmmEEF1::Data·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CharmmEEF1::Data·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/MOLMEC/PARAMETER/charmmEEF1.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/df5/a00137_source.html">BALL/MOLMEC/PARAMETER/charmmEEF1.h</a>&gt;</code></p>
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80 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion::Values·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::QuadraticImproperTorsion::Values·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/MOLMEC/PARAMETER/quadraticImproperTorsion.h</a>&gt;</code></p>
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102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
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156 </div>156 </div>
157 </div>157 </div>
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160 <h2·class="memtitle"><span·class="permalink"><a·href="#a0012bfbdea11a0d86cf75f569640073c">&#9670;&#160;</a></span>k</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#a0012bfbdea11a0d86cf75f569640073c">&#9670;&#160;</a></span>k</h2>
  
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170 ······</table>170 ······</table>
171 </div><div·class="memdoc">171 </div><div·class="memdoc">
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
173 </div>173 </div>
174 </div>174 </div>
175 <a·id="a61be650c5cbb657b67a4d5df46a1436d"·name="a61be650c5cbb657b67a4d5df46a1436d"></a>175 <a·id="a61be650c5cbb657b67a4d5df46a1436d"·name="a61be650c5cbb657b67a4d5df46a1436d"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#a61be650c5cbb657b67a4d5df46a1436d">&#9670;&#160;</a></span>phase</h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#a61be650c5cbb657b67a4d5df46a1436d">&#9670;&#160;</a></span>phase</h2>
  
177 <div·class="memitem">177 <div·class="memitem">
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182 ······<table·class="memname">182 ······<table·class="memname">
183 ········<tr>183 ········<tr>
184 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::phase</td>184 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticImproperTorsion::Values::phase</td>
185 ········</tr>185 ········</tr>
186 ······</table>186 ······</table>
187 </div><div·class="memdoc">187 </div><div·class="memdoc">
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d3e/a01676_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../de/d3e/a01676_source.html">quadraticImproperTorsion.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d1e/a00149_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../da/d1e/a00149_source.html">quadraticImproperTorsion.h</a>.</p>
  
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../dd/d55/a07595.html">List·of·all·members</a>··</div>82 <a·href="../../dd/d55/a07595.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSingleShortcut·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::EditSingleShortcut·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/VIEW/DIALOGS/editSingleShortcut.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd5/a01244_source.html">BALL/VIEW/DIALOGS/editSingleShortcut.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::EditSingleShortcut:</div>88 Inheritance·diagram·for·BALL::VIEW::EditSingleShortcut:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../d9/da8/a07598.png"·usemap="#BALL::VIEW::EditSingleShortcut_map"·alt=""/>91 ··<img·src="../../d9/da8/a07598.png"·usemap="#BALL::VIEW::EditSingleShortcut_map"·alt=""/>
92 ··<map·id="BALL::VIEW::EditSingleShortcut_map"·name="BALL::VIEW::EditSingleShortcut_map">92 ··<map·id="BALL::VIEW::EditSingleShortcut_map"·name="BALL::VIEW::EditSingleShortcut_map">
93 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,189,24"/>93 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,189,24"/>
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150 <tr·class="separator:ad14e9f8a1af849e86623cf5eaf68fd0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:ad14e9f8a1af849e86623cf5eaf68fd0c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 <tr·class="memitem:ada8cddaaf6d53c83845da6c07daa633c"·id="r_ada8cddaaf6d53c83845da6c07daa633c"><td·class="memItemLeft"·align="right"·valign="top">QKeySequence&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html#ada8cddaaf6d53c83845da6c07daa633c">new_sequence_</a></td></tr>151 <tr·class="memitem:ada8cddaaf6d53c83845da6c07daa633c"·id="r_ada8cddaaf6d53c83845da6c07daa633c"><td·class="memItemLeft"·align="right"·valign="top">QKeySequence&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da8/a07598.html#ada8cddaaf6d53c83845da6c07daa633c">new_sequence_</a></td></tr>
152 <tr·class="separator:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>152 <tr·class="separator:ada8cddaaf6d53c83845da6c07daa633c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
153 </table>153 </table>
154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>154 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
155 <div·class="textblock"><p>Widget·for·customizing·BALLView·shortcuts·</p>155 <div·class="textblock"><p>Widget·for·customizing·BALLView·shortcuts·</p>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
158 <a·id="a350c048eb0595e072ab73b9a01dfc843"·name="a350c048eb0595e072ab73b9a01dfc843"></a>158 <a·id="a350c048eb0595e072ab73b9a01dfc843"·name="a350c048eb0595e072ab73b9a01dfc843"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a350c048eb0595e072ab73b9a01dfc843">&#9670;&#160;</a></span>EditSingleShortcut()</h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a350c048eb0595e072ab73b9a01dfc843">&#9670;&#160;</a></span>EditSingleShortcut()</h2>
  
160 <div·class="memitem">160 <div·class="memitem">
161 <div·class="memproto">161 <div·class="memproto">
162 ······<table·class="memname">162 ······<table·class="memname">
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263 ··</td>263 ··</td>
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265 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>265 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
266 ··</tr>266 ··</tr>
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269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>269 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
270 </div>270 </div>
271 </div>271 </div>
272 <a·id="a3ca0371177c7cffaba9edd7f67a682cf"·name="a3ca0371177c7cffaba9edd7f67a682cf"></a>272 <a·id="a3ca0371177c7cffaba9edd7f67a682cf"·name="a3ca0371177c7cffaba9edd7f67a682cf"></a>
273 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ca0371177c7cffaba9edd7f67a682cf">&#9670;&#160;</a></span>keyPressEvent()</h2>273 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ca0371177c7cffaba9edd7f67a682cf">&#9670;&#160;</a></span>keyPressEvent()</h2>
  
274 <div·class="memitem">274 <div·class="memitem">
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571 ··</td>571 ··</td>
572 ··<td·class="mlabels-right">572 ··<td·class="mlabels-right">
573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
574 ··</tr>574 ··</tr>
575 </table>575 </table>
576 </div><div·class="memdoc">576 </div><div·class="memdoc">
  
577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
578 </div>578 </div>
579 </div>579 </div>
580 <a·id="ad14e9f8a1af849e86623cf5eaf68fd0c"·name="ad14e9f8a1af849e86623cf5eaf68fd0c"></a>580 <a·id="ad14e9f8a1af849e86623cf5eaf68fd0c"·name="ad14e9f8a1af849e86623cf5eaf68fd0c"></a>
581 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14e9f8a1af849e86623cf5eaf68fd0c">&#9670;&#160;</a></span>key_</h2>581 <h2·class="memtitle"><span·class="permalink"><a·href="#ad14e9f8a1af849e86623cf5eaf68fd0c">&#9670;&#160;</a></span>key_</h2>
  
582 <div·class="memitem">582 <div·class="memitem">
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595 ··</td>595 ··</td>
596 ··<td·class="mlabels-right">596 ··<td·class="mlabels-right">
597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
598 ··</tr>598 ··</tr>
599 </table>599 </table>
600 </div><div·class="memdoc">600 </div><div·class="memdoc">
  
601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
602 </div>602 </div>
603 </div>603 </div>
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605 <h2·class="memtitle"><span·class="permalink"><a·href="#a259b4d02284b1ae5835620f51e1e1e57">&#9670;&#160;</a></span>modifiers_</h2>605 <h2·class="memtitle"><span·class="permalink"><a·href="#a259b4d02284b1ae5835620f51e1e1e57">&#9670;&#160;</a></span>modifiers_</h2>
  
606 <div·class="memitem">606 <div·class="memitem">
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619 ··</td>619 ··</td>
620 ··<td·class="mlabels-right">620 ··<td·class="mlabels-right">
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622 ··</tr>622 ··</tr>
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625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>625 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
626 </div>626 </div>
627 </div>627 </div>
628 <a·id="ada8cddaaf6d53c83845da6c07daa633c"·name="ada8cddaaf6d53c83845da6c07daa633c"></a>628 <a·id="ada8cddaaf6d53c83845da6c07daa633c"·name="ada8cddaaf6d53c83845da6c07daa633c"></a>
629 <h2·class="memtitle"><span·class="permalink"><a·href="#ada8cddaaf6d53c83845da6c07daa633c">&#9670;&#160;</a></span>new_sequence_</h2>629 <h2·class="memtitle"><span·class="permalink"><a·href="#ada8cddaaf6d53c83845da6c07daa633c">&#9670;&#160;</a></span>new_sequence_</h2>
  
630 <div·class="memitem">630 <div·class="memitem">
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643 ··</td>643 ··</td>
644 ··<td·class="mlabels-right">644 ··<td·class="mlabels-right">
645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>645 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
646 ··</tr>646 ··</tr>
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648 </div><div·class="memdoc">648 </div><div·class="memdoc">
  
649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d7e/a00434_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d1/d7e/a00434_source.html">editSingleShortcut.h</a>.</p>649 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">editSingleShortcut.h</a>.</p>
  
650 </div>650 </div>
651 </div>651 </div>
652 </div><!--·contents·-->652 </div><!--·contents·-->
653 <!--·start·footer·part·-->653 <!--·start·footer·part·-->
654 <hr·class="footer"/><address·class="footer"><small>654 <hr·class="footer"/><address·class="footer"><small>
655 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8655 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../da/d59/a08135.html">List·of·all·members</a>··</div>79 <a·href="../../da/d59/a08135.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDevPluginHandler·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDevPluginHandler·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/df1/a01151_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::InputDevPluginHandler:</div>85 Inheritance·diagram·for·BALL::VIEW::InputDevPluginHandler:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/da8/a08138.png"·usemap="#BALL::VIEW::InputDevPluginHandler_map"·alt=""/>88 ··<img·src="../../d9/da8/a08138.png"·usemap="#BALL::VIEW::InputDevPluginHandler_map"·alt=""/>
89 ··<map·id="BALL::VIEW::InputDevPluginHandler_map"·name="BALL::VIEW::InputDevPluginHandler_map">89 ··<map·id="BALL::VIEW::InputDevPluginHandler_map"·name="BALL::VIEW::InputDevPluginHandler_map">
90 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,216,24"/>90 <area·href="../../da/d41/a05550.html"·alt="BALL::PluginHandler"·shape="rect"·coords="0,0,216,24"/>
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118 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>118 <tr·class="inherit_header·pro_attribs_a05550"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05550')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../da/d41/a05550.html">BALL::PluginHandler</a></td></tr>
119 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"·id="r_ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>119 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"·id="r_ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
120 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2·inherit·pro_attribs_a05550"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 </table>121 </table>
122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>122 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
123 <div·class="textblock"><p>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>123 <div·class="textblock"><p>See·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·for·detailed·documentation·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d46/a00665_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../da/d46/a00665_source.html">inputDevPluginHandler.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df1/a01151_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../de/df1/a01151_source.html">inputDevPluginHandler.h</a>.</p>
125 </div><h2·class="groupheader">Member·Function·Documentation</h2>125 </div><h2·class="groupheader">Member·Function·Documentation</h2>
126 <a·id="a451376e45799086894162d44307f081e"·name="a451376e45799086894162d44307f081e"></a>126 <a·id="a451376e45799086894162d44307f081e"·name="a451376e45799086894162d44307f081e"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a451376e45799086894162d44307f081e">&#9670;&#160;</a></span>canHandle()</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a451376e45799086894162d44307f081e">&#9670;&#160;</a></span>canHandle()</h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/dfa/a03751.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dfa/a03751.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::DoubleGene·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::DoubleGene·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::DoubleGene:</div>84 Inheritance·diagram·for·BALL::DoubleGene:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/dae/a03754.png"·usemap="#BALL::DoubleGene_map"·alt=""/>87 ··<img·src="../../d9/dae/a03754.png"·usemap="#BALL::DoubleGene_map"·alt=""/>
88 ··<map·id="BALL::DoubleGene_map"·name="BALL::DoubleGene_map">88 ··<map·id="BALL::DoubleGene_map"·name="BALL::DoubleGene_map">
89 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,124,24"/>89 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,124,24"/>
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124 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>124 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
125 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>125 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
126 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>126 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
127 </table>127 </table>
128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p>gene·with·an·arbitrary·number·of·double·values·</p>129 <div·class="textblock"><p>gene·with·an·arbitrary·number·of·double·values·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">genes.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>131 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
132 <a·id="ad2752b92df531a761235536ed92c3267"·name="ad2752b92df531a761235536ed92c3267"></a>132 <a·id="ad2752b92df531a761235536ed92c3267"·name="ad2752b92df531a761235536ed92c3267"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2752b92df531a761235536ed92c3267">&#9670;&#160;</a></span>DoubleGene()·<span·class="overload">[1/2]</span></h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#ad2752b92df531a761235536ed92c3267">&#9670;&#160;</a></span>DoubleGene()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·selector.h·File·Reference</title>8 <title>BALL:·textPersistenceManager.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">selector.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">textPersistenceManager.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../d9/daf/a00830_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d9/daf/a00830_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d0f/a04638.html">BALL::Selector</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dcb/a03370.html">BALL::TextPersistenceManager</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·randomCoilShiftProcessor.h·File·Reference</title>8 <title>BALL:·snapshotManagerInterface.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">randomCoilShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">snapshotManagerInterface.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>82 <code>#include·&lt;vector&gt;</code><br·/>
 83 <code>#include·&lt;deque&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../d9/db3/a01064_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/db3/a01064_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d79/a05522.html">BALL::RandomCoilShiftProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d8c/a07958.html">BALL::VIEW::SnapshotManagerInterface</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>98 </table>
96 </div><!--·contents·-->99 </div><!--·contents·-->
97 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
98 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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85 <p><a·href="../../d9/db6/a00146_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/db6/a00146_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::PredictionMethod·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::PredictionMethod·Struct·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
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83 ·<a·href="../../d9/dbb/a06934.html#details">More...</a></p>83 ·<a·href="../../d9/dbb/a06934.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
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91 <tr·class="separator:a8c2a7a0bd11cb20e3b91ef071f99cba2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a8c2a7a0bd11cb20e3b91ef071f99cba2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>94 <div·class="textblock"><p><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../d9/dc0/a05606.html#details">More...</a></p>83 ·<a·href="../../d9/dc0/a05606.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:aa9164b49b34a37241c4774fc3e4b81a6"·id="r_aa9164b49b34a37241c4774fc3e4b81a6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc0/a05606.html#aa9164b49b34a37241c4774fc3e4b81a6">OVERWRITE_BOND_ORDERS</a></td></tr>88 <tr·class="memitem:aa9164b49b34a37241c4774fc3e4b81a6"·id="r_aa9164b49b34a37241c4774fc3e4b81a6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc0/a05606.html#aa9164b49b34a37241c4774fc3e4b81a6">OVERWRITE_BOND_ORDERS</a></td></tr>
89 <tr·class="separator:aa9164b49b34a37241c4774fc3e4b81a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa9164b49b34a37241c4774fc3e4b81a6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">aromaticityProcessor.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="aa9164b49b34a37241c4774fc3e4b81a6"·name="aa9164b49b34a37241c4774fc3e4b81a6"></a>95 <a·id="aa9164b49b34a37241c4774fc3e4b81a6"·name="aa9164b49b34a37241c4774fc3e4b81a6"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9164b49b34a37241c4774fc3e4b81a6">&#9670;&#160;</a></span>OVERWRITE_BOND_ORDERS</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9164b49b34a37241c4774fc3e4b81a6">&#9670;&#160;</a></span>OVERWRITE_BOND_ORDERS</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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111 ··</td>111 ··</td>
112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">aromaticityProcessor.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d1/d45/a03191.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d45/a03191.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::LogStreamNotifier·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::LogStreamNotifier·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d5d/a01202_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::LogStreamNotifier:</div>85 Inheritance·diagram·for·BALL::LogStreamNotifier:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../d9/dc1/a03194.png"·usemap="#BALL::LogStreamNotifier_map"·alt=""/>88 ··<img·src="../../d9/dc1/a03194.png"·usemap="#BALL::LogStreamNotifier_map"·alt=""/>
89 ··<map·id="BALL::LogStreamNotifier_map"·name="BALL::LogStreamNotifier_map">89 ··<map·id="BALL::LogStreamNotifier_map"·name="BALL::LogStreamNotifier_map">
90 <area·href="../../d6/ded/a08438.html"·alt="BALL::VIEW::LogView"·shape="rect"·coords="0,56,150,80"/>90 <area·href="../../d6/ded/a08438.html"·alt="BALL::VIEW::LogView"·shape="rect"·coords="0,56,150,80"/>
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110 <tr·class="memitem:aa38daaea14af95e6d3a8ce1308785c61"·id="r_aa38daaea14af95e6d3a8ce1308785c61"><td·class="memItemLeft"·align="right"·valign="top">std::stringstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#aa38daaea14af95e6d3a8ce1308785c61">stream_</a></td></tr>110 <tr·class="memitem:aa38daaea14af95e6d3a8ce1308785c61"·id="r_aa38daaea14af95e6d3a8ce1308785c61"><td·class="memItemLeft"·align="right"·valign="top">std::stringstream&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#aa38daaea14af95e6d3a8ce1308785c61">stream_</a></td></tr>
111 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:aa38daaea14af95e6d3a8ce1308785c61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65"·id="r_a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>112 <tr·class="memitem:a211e8e09e78d9c7a51f4d352a51a0c65"·id="r_a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/dd3/a03198.html">LogStream</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03194.html#a211e8e09e78d9c7a51f4d352a51a0c65">registered_at_</a></td></tr>
113 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:a211e8e09e78d9c7a51f4d352a51a0c65"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 </table>114 </table>
115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
116 <div·class="textblock">116 <div·class="textblock">
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>118 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
119 <a·id="a3d5dbb4bdcffaf03804c6e5ed0817384"·name="a3d5dbb4bdcffaf03804c6e5ed0817384"></a>119 <a·id="a3d5dbb4bdcffaf03804c6e5ed0817384"·name="a3d5dbb4bdcffaf03804c6e5ed0817384"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5dbb4bdcffaf03804c6e5ed0817384">&#9670;&#160;</a></span>LogStreamNotifier()</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5dbb4bdcffaf03804c6e5ed0817384">&#9670;&#160;</a></span>LogStreamNotifier()</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 ······<table·class="memname">123 ······<table·class="memname">
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254 ··</td>254 ··</td>
255 ··<td·class="mlabels-right">255 ··<td·class="mlabels-right">
256 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>256 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
257 ··</tr>257 ··</tr>
258 </table>258 </table>
259 </div><div·class="memdoc">259 </div><div·class="memdoc">
  
260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00234">234</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
261 </div>261 </div>
262 </div>262 </div>
263 <a·id="aa38daaea14af95e6d3a8ce1308785c61"·name="aa38daaea14af95e6d3a8ce1308785c61"></a>263 <a·id="aa38daaea14af95e6d3a8ce1308785c61"·name="aa38daaea14af95e6d3a8ce1308785c61"></a>
264 <h2·class="memtitle"><span·class="permalink"><a·href="#aa38daaea14af95e6d3a8ce1308785c61">&#9670;&#160;</a></span>stream_</h2>264 <h2·class="memtitle"><span·class="permalink"><a·href="#aa38daaea14af95e6d3a8ce1308785c61">&#9670;&#160;</a></span>stream_</h2>
  
265 <div·class="memitem">265 <div·class="memitem">
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278 ··</td>278 ··</td>
279 ··<td·class="mlabels-right">279 ··<td·class="mlabels-right">
280 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>280 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
281 ··</tr>281 ··</tr>
282 </table>282 </table>
283 </div><div·class="memdoc">283 </div><div·class="memdoc">
  
284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
285 </div>285 </div>
286 </div>286 </div>
287 </div><!--·contents·-->287 </div><!--·contents·-->
288 <!--·start·footer·part·-->288 <!--·start·footer·part·-->
289 <hr·class="footer"/><address·class="footer"><small>289 <hr·class="footer"/><address·class="footer"><small>
290 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8290 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../de/d11/a03387.html">List·of·all·members</a>··</div>78 <a·href="../../de/d11/a03387.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Bit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Bit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d3/da9/a02131.html">General·datastructures</a>·&raquo;·<a·class="el"·href="../../da/d42/a02134.html">Miscellaneous</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d81/a00110_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/DATATYPE/bitVector.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d2b/a03394.html">IllegalOperation</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d2b/a03394.html">IllegalOperation</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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120 <tr·class="memitem:abe5fdb9235719a3bf564af6738df0d2d"·id="r_abe5fdb9235719a3bf564af6738df0d2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03390.html#abe5fdb9235719a3bf564af6738df0d2d">operator!=</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·bit)·const</td></tr>120 <tr·class="memitem:abe5fdb9235719a3bf564af6738df0d2d"·id="r_abe5fdb9235719a3bf564af6738df0d2d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc1/a03390.html#abe5fdb9235719a3bf564af6738df0d2d">operator!=</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·bit)·const</td></tr>
121 <tr·class="separator:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:abe5fdb9235719a3bf564af6738df0d2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·Class.·This·class·represents·a·bit·within·a·<a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.</p>124 <div·class="textblock"><p><a·class="el"·href="../../d9/dc1/a03390.html">Bit</a>·Class.·This·class·represents·a·bit·within·a·<a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.</p>
125 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.·</dd></dl>125 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>.·</dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d81/a00110_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/d81/a00110_source.html">bitVector.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/deb/a00710_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/deb/a00710_source.html">bitVector.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="a187cebcea44f84c827370fe89ac6f29f"·name="a187cebcea44f84c827370fe89ac6f29f"></a>128 <a·id="a187cebcea44f84c827370fe89ac6f29f"·name="a187cebcea44f84c827370fe89ac6f29f"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a187cebcea44f84c827370fe89ac6f29f">&#9670;&#160;</a></span>Bit()·<span·class="overload">[1/4]</span></h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a187cebcea44f84c827370fe89ac6f29f">&#9670;&#160;</a></span>Bit()·<span·class="overload">[1/4]</span></h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d9b/a03103.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d9b/a03103.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalTreeOperation·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::IllegalTreeOperation·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::IllegalTreeOperation:</div>84 Inheritance·diagram·for·BALL::Exception::IllegalTreeOperation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../d9/dc2/a03106.png"·usemap="#BALL::Exception::IllegalTreeOperation_map"·alt=""/>87 ··<img·src="../../d9/dc2/a03106.png"·usemap="#BALL::Exception::IllegalTreeOperation_map"·alt=""/>
88 ··<map·id="BALL::Exception::IllegalTreeOperation_map"·name="BALL::Exception::IllegalTreeOperation_map">88 ··<map·id="BALL::Exception::IllegalTreeOperation_map"·name="BALL::Exception::IllegalTreeOperation_map">
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Illegal·tree·operation.·This·exception·is·thrown·to·indicate·that·an·illegal·tree·operation·i.e.·node-&gt;setLeftChild(node)·was·requested.·</p>143 <div·class="textblock"><p>Illegal·tree·operation.·This·exception·is·thrown·to·indicate·that·an·illegal·tree·operation·i.e.·node-&gt;setLeftChild(node)·was·requested.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00303">303</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00303">303</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
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 76 <a·href="#nested-classes">Classes</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">nmr.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">clippingPlane.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
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 84 <p><a·href="../../d9/dce/a01052_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d3/dd0/a04383.html">List·of·all·members</a>··</div>78 <a·href="../../d3/dd0/a04383.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::ConectAtomList·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::Structure::ConectAtomList·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
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96 <div·class="textblock">96 <div·class="textblock">
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105 ··········<td·class="memname">std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&gt;·BALL::PDB::Structure::ConectAtomList::bonds</td>105 ··········<td·class="memname">std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&gt;·BALL::PDB::Structure::ConectAtomList::bonds</td>
106 ········</tr>106 ········</tr>
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139 ··········<td·class="memname">std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&gt;·BALL::PDB::Structure::ConectAtomList::saltbridges</td>139 ··········<td·class="memname">std::list&lt;<a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&gt;·BALL::PDB::Structure::ConectAtomList::saltbridges</td>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
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78 ··<div·class="headertitle"><div·class="title">editOperation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">shiftedLVMM.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../d9/dd0/a00191_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d9/dd0/a00191_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dac/a05198.html">BALL::ShiftedLVMMMinimizer::Option</a></td></tr>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d3b/a05202.html">BALL::ShiftedLVMMMinimizer::Default</a></td></tr>
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d8e/a04879.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d8e/a04879.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PiecewisePolynomial·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PiecewisePolynomial·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../db/dcf/a02157.html">Mathematics</a>·&raquo;·<a·class="el"·href="../../df/dbf/a02161.html">Function·classes</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d35/a00266_source.html">BALL/MATHS/piecewisePolynomial.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PiecewisePolynomial:</div>83 Inheritance·diagram·for·BALL::PiecewisePolynomial:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../d9/dd0/a04882.png"·usemap="#BALL::PiecewisePolynomial_map"·alt=""/>86 ··<img·src="../../d9/dd0/a04882.png"·usemap="#BALL::PiecewisePolynomial_map"·alt=""/>
87 ··<map·id="BALL::PiecewisePolynomial_map"·name="BALL::PiecewisePolynomial_map">87 ··<map·id="BALL::PiecewisePolynomial_map"·name="BALL::PiecewisePolynomial_map">
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181 </table>181 </table>
182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
183 <div·class="textblock"><p>Piecewise·polynomial·curve·object.·This·class·provides·a·trivial·implementation·of·piecewise·polynomial·curves.·More·useful·spline/B-spline·implementations·might·follow·in·the·future.·The·PPCurves·are·of·the·form·</p><p·class="formulaDsp">183 <div·class="textblock"><p>Piecewise·polynomial·curve·object.·This·class·provides·a·trivial·implementation·of·piecewise·polynomial·curves.·More·useful·spline/B-spline·implementations·might·follow·in·the·future.·The·PPCurves·are·of·the·form·</p><p·class="formulaDsp">
184 <picture><source·srcset="../../form_32_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[\sum_{i=0}^{d}·a_i^{(k)}·(x·-·x_0^{(k)})^i\]"·src="../../form_32.png"·width="96"·height="38"/></picture>184 <picture><source·srcset="../../form_32_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[\sum_{i=0}^{d}·a_i^{(k)}·(x·-·x_0^{(k)})^i\]"·src="../../form_32.png"·width="96"·height="38"/></picture>
185 </p>185 </p>
186 <p>,·where·<picture><source·srcset="../../form_33_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$k$"·src="../../form_33.png"·width="6"·height="10"/></picture>·is·the·index·of·the·interval·and·<picture><source·srcset="../../form_34_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$d$"·src="../../form_34.png"·width="6"·height="10"/></picture>·is·the·overall·degree·of·the·PPCurve.·Note·that·there·is·no·warranty·that·the·defined·curve·is·continuously·differentiable·or·even·continuous.·</p>186 <p>,·where·<picture><source·srcset="../../form_33_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$k$"·src="../../form_33.png"·width="6"·height="10"/></picture>·is·the·index·of·the·interval·and·<picture><source·srcset="../../form_34_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$d$"·src="../../form_34.png"·width="6"·height="10"/></picture>·is·the·overall·degree·of·the·PPCurve.·Note·that·there·is·no·warranty·that·the·defined·curve·is·continuously·differentiable·or·even·continuous.·</p>
  
187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/df7/a00731_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../df/df7/a00731_source.html">piecewisePolynomial.h</a>.</p>187 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d35/a00266_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d35/a00266_source.html">piecewisePolynomial.h</a>.</p>
188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="a99659d0fb7270271a84cc35ba62d6f3c"·name="a99659d0fb7270271a84cc35ba62d6f3c"></a>189 <a·id="a99659d0fb7270271a84cc35ba62d6f3c"·name="a99659d0fb7270271a84cc35ba62d6f3c"></a>
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191 <div·class="memitem">191 <div·class="memitem">
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
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86 <p><a·href="../../d9/dd1/a00398_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../d9/dd1/a00398_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 <div·class="contents">77 <div·class="contents">
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 81 <code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code><br·/>
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85 <p><a·href="../../d9/dd4/a00776_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../d9/dd4/a00776_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls"> 
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104 <tr·class="memitem:ga73c09b993f6a16c37c9031b8aecb9175"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga73c09b993f6a16c37c9031b8aecb9175">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d8/de5/a04902.html">TSphere3</a>&lt;·T·&gt;·&amp;sphere)</td></tr> 
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106 </table> 
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83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/STRUCTURE/RSFace.h</a>&gt;</code><br·/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">PLP.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rescoring1D.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/> 
86 </div>82 </div>
87 <p><a·href="../../d9/de8/a02006_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d9/de8/a02006_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">84 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>86 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/db4/a06330.html">BALL::PLP</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d54/a06426.html">BALL::Rescoring1D</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de8/a06334.html">BALL::PLP::NonBondedPairData</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls"> 
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
102 Macros</h2></td></tr> 
103 <tr·class="memitem:a9746ad13906fe1b8c1838b832c182118"·id="r_a9746ad13906fe1b8c1838b832c182118"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/de8/a02006.html#a9746ad13906fe1b8c1838b832c182118">MMFF94_ES_ENABLED</a>&#160;&#160;&#160;&quot;enable·ES&quot;</td></tr> 
104 <tr·class="memdesc:a9746ad13906fe1b8c1838b832c182118"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·ES··<br·/></td></tr> 
105 <tr·class="separator:a9746ad13906fe1b8c1838b832c182118"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:a9d1d480f49368b04abd31ea9ef6b70fc"·id="r_a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/de8/a02006.html#a9d1d480f49368b04abd31ea9ef6b70fc">MMFF94_VDW_ENABLED</a>&#160;&#160;&#160;&quot;enable·VDW&quot;</td></tr> 
107 <tr·class="memdesc:a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·VDW··<br·/></td></tr> 
108 <tr·class="separator:a9d1d480f49368b04abd31ea9ef6b70fc"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
109 </table>94 </table>
110 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
111 <a·id="a9746ad13906fe1b8c1838b832c182118"·name="a9746ad13906fe1b8c1838b832c182118"></a> 
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a9746ad13906fe1b8c1838b832c182118">&#9670;&#160;</a></span>MMFF94_ES_ENABLED</h2> 
  
113 <div·class="memitem"> 
114 <div·class="memproto"> 
115 ······<table·class="memname"> 
116 ········<tr> 
117 ··········<td·class="memname">#define·MMFF94_ES_ENABLED&#160;&#160;&#160;&quot;enable·ES&quot;</td> 
118 ········</tr> 
119 ······</table> 
120 </div><div·class="memdoc"> 
  
121 <p>flag·to·enable·ES·</p> 
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">PLP.h</a>.</p> 
  
123 </div> 
124 </div> 
125 <a·id="a9d1d480f49368b04abd31ea9ef6b70fc"·name="a9d1d480f49368b04abd31ea9ef6b70fc"></a> 
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d1d480f49368b04abd31ea9ef6b70fc">&#9670;&#160;</a></span>MMFF94_VDW_ENABLED</h2> 
  
127 <div·class="memitem"> 
128 <div·class="memproto"> 
129 ······<table·class="memname"> 
130 ········<tr> 
131 ··········<td·class="memname">#define·MMFF94_VDW_ENABLED&#160;&#160;&#160;&quot;enable·VDW&quot;</td> 
132 ········</tr> 
133 ······</table> 
134 </div><div·class="memdoc"> 
  
135 <p>flag·to·enable·VDW·</p> 
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">PLP.h</a>.</p> 
  
137 </div> 
138 </div> 
139 </div><!--·contents·-->95 </div><!--·contents·-->
140 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
141 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
142 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d07/a03779.html">List·of·all·members</a>··</div>78 <a·href="../../db/d07/a03779.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RotateBond·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RotateBond·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/DOCKING/GENETICDOCK/rotateBond.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/db6/a01556_source.html">BALL/DOCKING/GENETICDOCK/rotateBond.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a585982a39ec79c7ff0fea42d37ad1001"·id="r_a585982a39ec79c7ff0fea42d37ad1001"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a585982a39ec79c7ff0fea42d37ad1001">RotateBond</a>·()</td></tr>86 <tr·class="memitem:a585982a39ec79c7ff0fea42d37ad1001"·id="r_a585982a39ec79c7ff0fea42d37ad1001"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a585982a39ec79c7ff0fea42d37ad1001">RotateBond</a>·()</td></tr>
87 <tr·class="separator:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a585982a39ec79c7ff0fea42d37ad1001"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aeaf013c5217c7f83b07662c1e71b781c"·id="r_aeaf013c5217c7f83b07662c1e71b781c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#aeaf013c5217c7f83b07662c1e71b781c">RotateBond</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;)</td></tr>88 <tr·class="memitem:aeaf013c5217c7f83b07662c1e71b781c"·id="r_aeaf013c5217c7f83b07662c1e71b781c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#aeaf013c5217c7f83b07662c1e71b781c">RotateBond</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;)</td></tr>
89 <tr·class="separator:aeaf013c5217c7f83b07662c1e71b781c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aeaf013c5217c7f83b07662c1e71b781c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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105 <tr·class="memitem:a3d493c137fa18eb000bbe9666ffc1bc8"·id="r_a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a3d493c137fa18eb000bbe9666ffc1bc8">getDihedral</a>·()</td></tr>105 <tr·class="memitem:a3d493c137fa18eb000bbe9666ffc1bc8"·id="r_a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#abe00df7bff3fb5d8b94673ac63190601">Angle</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a3d493c137fa18eb000bbe9666ffc1bc8">getDihedral</a>·()</td></tr>
106 <tr·class="separator:a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a3d493c137fa18eb000bbe9666ffc1bc8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:a4af87a6b03b2454a85da29b79e61de89"·id="r_a4af87a6b03b2454a85da29b79e61de89"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a4af87a6b03b2454a85da29b79e61de89">operator&lt;</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;rb)</td></tr>107 <tr·class="memitem:a4af87a6b03b2454a85da29b79e61de89"·id="r_a4af87a6b03b2454a85da29b79e61de89"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a03782.html#a4af87a6b03b2454a85da29b79e61de89">operator&lt;</a>·(const·<a·class="el"·href="../../d9/df0/a03782.html">RotateBond</a>·&amp;rb)</td></tr>
108 <tr·class="separator:a4af87a6b03b2454a85da29b79e61de89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a4af87a6b03b2454a85da29b79e61de89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock">111 <div·class="textblock">
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">rotateBond.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db6/a01556_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d7/db6/a01556_source.html">rotateBond.h</a>.</p>
113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
114 <a·id="a585982a39ec79c7ff0fea42d37ad1001"·name="a585982a39ec79c7ff0fea42d37ad1001"></a>114 <a·id="a585982a39ec79c7ff0fea42d37ad1001"·name="a585982a39ec79c7ff0fea42d37ad1001"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#a585982a39ec79c7ff0fea42d37ad1001">&#9670;&#160;</a></span>RotateBond()·<span·class="overload">[1/6]</span></h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#a585982a39ec79c7ff0fea42d37ad1001">&#9670;&#160;</a></span>RotateBond()·<span·class="overload">[1/6]</span></h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HBondProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../d9/df0/a06926.html#details">More...</a></p>83 ·<a·href="../../d9/df0/a06926.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/HBondProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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89 <tr·class="separator:ac674d726426b32087351dca83456874d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac674d726426b32087351dca83456874d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a6b22484b7430d235eb4b6b81a1b5bdc5"·id="r_a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a6b22484b7430d235eb4b6b81a1b5bdc5">ADD_HBONDS</a></td></tr>90 <tr·class="memitem:a6b22484b7430d235eb4b6b81a1b5bdc5"·id="r_a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a6b22484b7430d235eb4b6b81a1b5bdc5">ADD_HBONDS</a></td></tr>
91 <tr·class="separator:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a6b22484b7430d235eb4b6b81a1b5bdc5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a43f423b9f6bcf1f599047d022fa2aec4"·id="r_a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a43f423b9f6bcf1f599047d022fa2aec4">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>92 <tr·class="memitem:a43f423b9f6bcf1f599047d022fa2aec4"·id="r_a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/df0/a06926.html#a43f423b9f6bcf1f599047d022fa2aec4">KABSCH_SANDER_ENERGY_CUTOFF</a></td></tr>
93 <tr·class="separator:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a43f423b9f6bcf1f599047d022fa2aec4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.·</p>96 <div·class="textblock"><p><a·class="el"·href="../../d9/df0/a06926.html"·title="Option·names.">Option</a>·names.·</p>
  
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="a6b22484b7430d235eb4b6b81a1b5bdc5"·name="a6b22484b7430d235eb4b6b81a1b5bdc5"></a>99 <a·id="a6b22484b7430d235eb4b6b81a1b5bdc5"·name="a6b22484b7430d235eb4b6b81a1b5bdc5"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b22484b7430d235eb4b6b81a1b5bdc5">&#9670;&#160;</a></span>ADD_HBONDS</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b22484b7430d235eb4b6b81a1b5bdc5">&#9670;&#160;</a></span>ADD_HBONDS</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 <table·class="mlabels">103 <table·class="mlabels">
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116 ··<td·class="mlabels-right">116 ··<td·class="mlabels-right">
117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>117 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
118 ··</tr>118 ··</tr>
119 </table>119 </table>
120 </div><div·class="memdoc">120 </div><div·class="memdoc">
121 <p>add·bonds·to·the·system·</p>121 <p>add·bonds·to·the·system·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
123 </div>123 </div>
124 </div>124 </div>
125 <a·id="a43f423b9f6bcf1f599047d022fa2aec4"·name="a43f423b9f6bcf1f599047d022fa2aec4"></a>125 <a·id="a43f423b9f6bcf1f599047d022fa2aec4"·name="a43f423b9f6bcf1f599047d022fa2aec4"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#a43f423b9f6bcf1f599047d022fa2aec4">&#9670;&#160;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#a43f423b9f6bcf1f599047d022fa2aec4">&#9670;&#160;</a></span>KABSCH_SANDER_ENERGY_CUTOFF</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
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141 ··<td·class="mlabels-right">141 ··<td·class="mlabels-right">
142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>142 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
143 ··</tr>143 ··</tr>
144 </table>144 </table>
145 </div><div·class="memdoc">145 </div><div·class="memdoc">
146 <p>the·energy·cutoff·for·the·Kabsch·Sander·algorithm·</p>146 <p>the·energy·cutoff·for·the·Kabsch·Sander·algorithm·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00150">150</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
148 </div>148 </div>
149 </div>149 </div>
150 <a·id="ac674d726426b32087351dca83456874d"·name="ac674d726426b32087351dca83456874d"></a>150 <a·id="ac674d726426b32087351dca83456874d"·name="ac674d726426b32087351dca83456874d"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#ac674d726426b32087351dca83456874d">&#9670;&#160;</a></span>PREDICTION_METHOD</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#ac674d726426b32087351dca83456874d">&#9670;&#160;</a></span>PREDICTION_METHOD</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
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167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>167 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
168 ··</tr>168 ··</tr>
169 </table>169 </table>
170 </div><div·class="memdoc">170 </div><div·class="memdoc">
171 <p>the·hydrogen·bond·prediction·criterion·used·</p>171 <p>the·hydrogen·bond·prediction·criterion·used·</p>
  
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">HBondProcessor.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d02/a01808_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d7/d02/a01808_source.html">HBondProcessor.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidRange·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidRange·Class·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::InvalidRange:</div>84 Inheritance·diagram·for·BALL::Exception::InvalidRange:</div>
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Invalid·range.·Use·this·exception·to·indicate·a·general·range·problems.·</p>143 <div·class="textblock"><p>Invalid·range.·Use·this·exception·to·indicate·a·general·range·problems.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00187">187</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00187">187</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
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84 <p><a·href="../../d9/dfd/a01610_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../d9/dfd/a01610_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
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8 <title>BALL:·mainframe.C·File·Reference</title>8 <title>BALL:·demoTutorialDialog.h·File·Reference</title>
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70 <div·id="nav-path"·class="navpath">70 <div·id="nav-path"·class="navpath">
71 ··<ul>71 ··<ul>
72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>
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74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
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77 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">mainframe.C·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">demoTutorialDialog.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../da/d4a/a02114_source.html">mainframe.h</a>&quot;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
82 <code>#include·&quot;<a·class="el"·href="../../dd/d77/a02096_source.html">icons.h</a>&quot;</code><br·/> 
83 <code>#include·&quot;<a·class="el"·href="../../d0/dfe/a02102_source.html">demoTutorialDialog.h</a>&quot;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/de1/a00233_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d4/d13/a00377_source.html">BALL/VIEW/WIDGETS/molecularStructure.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dc/d84/a00338_source.html">BALL/VIEW/WIDGETS/molecularControl.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d6/de1/a00356_source.html">BALL/VIEW/WIDGETS/geometricControl.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d9d/a01382_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code><br·/>
89 <code>#include·&lt;<a·class="el"·href="../../d5/db5/a00374_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/VIEW/WIDGETS/fileObserver.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../d0/ddb/a00542_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;<a·class="el"·href="../../d4/d9e/a00569_source.html">BALL/VIEW/DIALOGS/downloadPDBFile.h</a>&gt;</code><br·/> 
94 <code>#include·&lt;<a·class="el"·href="../../d5/d5f/a00461_source.html">BALL/VIEW/DIALOGS/downloadElectronDensity.h</a>&gt;</code><br·/> 
95 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code><br·/> 
96 <code>#include·&lt;<a·class="el"·href="../../d6/d06/a00572_source.html">BALL/VIEW/DIALOGS/displayProperties.h</a>&gt;</code><br·/> 
97 <code>#include·&lt;<a·class="el"·href="../../df/db6/a00509_source.html">BALL/VIEW/DIALOGS/molecularFileDialog.h</a>&gt;</code><br·/> 
98 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
99 <code>#include·&lt;<a·class="el"·href="../../d9/d17/a01937_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/> 
100 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/> 
101 <code>#include·&lt;<a·class="el"·href="../../d0/de2/a01442_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code><br·/> 
102 <code>#include·&quot;ui_aboutDialog.h&quot;</code><br·/>85 <code>#include·&quot;ui_demoTutorialDialog.h&quot;</code><br·/>
 86 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
103 <code>#include·&lt;<a·class="el"·href="../../d9/d31/a01208_source.html">BALL/PLUGIN/pluginManager.h</a>&gt;</code><br·/> 
104 <code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/VIEW/PLUGIN/inputDevPluginHandler.h</a>&gt;</code><br·/> 
105 <code>#include·&lt;<a·class="el"·href="../../d8/d13/a00671_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code><br·/> 
106 <code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/> 
107 <code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code><br·/> 
108 <code>#include·&lt;<a·class="el"·href="../../d4/dfb/a00512_source.html">BALL/VIEW/DIALOGS/preferences.h</a>&gt;</code><br·/> 
109 </div>87 </div>
110 <p><a·href="../../d9/dff/a02099_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../d9/dff/a02099_source.html">Go·to·the·source·code·of·this·file.</a></p>
111 <table·class="memberdecls">89 <table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dab/a08602.html">BALL::VIEW::DemoTutorialDialog</a></td></tr>
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112 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
113 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
114 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
115 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>101 </table>
117 </div><!--·contents·-->102 </div><!--·contents·-->
118 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
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120 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/df1/a07747.html">List·of·all·members</a>··</div>78 <a·href="../../dc/df1/a07747.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ButtonEvent·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ButtonEvent·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/VIEW/INPUT/buttonEvent.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d72/a01319_source.html">BALL/VIEW/INPUT/buttonEvent.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ButtonEvent:</div>84 Inheritance·diagram·for·BALL::VIEW::ButtonEvent:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/d03/a07750.png"·usemap="#BALL::VIEW::ButtonEvent_map"·alt=""/>87 ··<img·src="../../da/d03/a07750.png"·usemap="#BALL::VIEW::ButtonEvent_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ButtonEvent_map"·name="BALL::VIEW::ButtonEvent_map">88 ··<map·id="BALL::VIEW::ButtonEvent_map"·name="BALL::VIEW::ButtonEvent_map">
89 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,158,80"/>89 <area·href="../../dc/dbf/a07754.html"·alt="BALL::VIEW::DeviceEvent"·shape="rect"·coords="0,56,158,80"/>
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107 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>108 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
109 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 </table>110 </table>
111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
112 <div·class="textblock"><p>This·event·encodes·button·states·of·a·custom·input·device.·It·is·emitted·when·a·button·is·either·pressed·or·released.·</p>112 <div·class="textblock"><p>This·event·encodes·button·states·of·a·custom·input·device.·It·is·emitted·when·a·button·is·either·pressed·or·released.·</p>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">buttonEvent.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="ae09de2787f0952ab85886246b5457679"·name="ae09de2787f0952ab85886246b5457679"></a>115 <a·id="ae09de2787f0952ab85886246b5457679"·name="ae09de2787f0952ab85886246b5457679"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae09de2787f0952ab85886246b5457679">&#9670;&#160;</a></span>ButtonEvent()·<span·class="overload">[1/2]</span></h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#ae09de2787f0952ab85886246b5457679">&#9670;&#160;</a></span>ButtonEvent()·<span·class="overload">[1/2]</span></h2>
  
117 <div·class="memitem">117 <div·class="memitem">
118 <div·class="memproto">118 <div·class="memproto">
119 ······<table·class="memname">119 ······<table·class="memname">
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208 ··<td·class="mlabels-right">208 ··<td·class="mlabels-right">
209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
210 ··</tr>210 ··</tr>
211 </table>211 </table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
213 <p>Return·the·button·that·caused·the·event.·</p>213 <p>Return·the·button·that·caused·the·event.·</p>
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">buttonEvent.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <a·id="a7818642c58c44736ef55177bf5755b05"·name="a7818642c58c44736ef55177bf5755b05"></a>217 <a·id="a7818642c58c44736ef55177bf5755b05"·name="a7818642c58c44736ef55177bf5755b05"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a7818642c58c44736ef55177bf5755b05">&#9670;&#160;</a></span>buttons()</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a7818642c58c44736ef55177bf5755b05">&#9670;&#160;</a></span>buttons()</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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236 ··<td·class="mlabels-right">236 ··<td·class="mlabels-right">
237 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>237 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
238 ··</tr>238 ··</tr>
239 </table>239 </table>
240 </div><div·class="memdoc">240 </div><div·class="memdoc">
241 <p>Returns·the·state·of·the·devices·buttons·when·the·event·was·emitted.·</p>241 <p>Returns·the·state·of·the·devices·buttons·when·the·event·was·emitted.·</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">buttonEvent.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d72/a01319_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d1/d72/a01319_source.html">buttonEvent.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 </div><!--·contents·-->245 </div><!--·contents·-->
246 <!--·start·footer·part·-->246 <!--·start·footer·part·-->
247 <hr·class="footer"/><address·class="footer"><small>247 <hr·class="footer"/><address·class="footer"><small>
248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 ··<div·class="headertitle"><div·class="title">factory.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">tube.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
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83 <p><a·href="../../da/d06/a01403_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/d06/a01403_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/df0/a03727.html">List·of·all·members</a>··</div>78 <a·href="../../d1/df0/a03727.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::StructurePreparer·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::StructurePreparer·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01574_source.html">BALL/DOCKING/COMMON/structurePreparer.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a90046b3b6555356d33d5943ca85518f5"·id="r_a90046b3b6555356d33d5943ca85518f5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a90046b3b6555356d33d5943ca85518f5">StructurePreparer</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·type=&quot;&quot;,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·ignore=0)</td></tr>86 <tr·class="memitem:a90046b3b6555356d33d5943ca85518f5"·id="r_a90046b3b6555356d33d5943ca85518f5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a90046b3b6555356d33d5943ca85518f5">StructurePreparer</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·type=&quot;&quot;,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·ignore=0)</td></tr>
87 <tr·class="separator:a90046b3b6555356d33d5943ca85518f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a90046b3b6555356d33d5943ca85518f5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:af0632a9cd69abd062e39e6b1c9fc78dc"·id="r_af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#af0632a9cd69abd062e39e6b1c9fc78dc">assignAtomTypes</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*at,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·iniFile,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·AtomType_file=&quot;&quot;)</td></tr>88 <tr·class="memitem:af0632a9cd69abd062e39e6b1c9fc78dc"·id="r_af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#af0632a9cd69abd062e39e6b1c9fc78dc">assignAtomTypes</a>·(<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·*at,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·iniFile,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·AtomType_file=&quot;&quot;)</td></tr>
89 <tr·class="separator:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:af0632a9cd69abd062e39e6b1c9fc78dc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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111 <tr·class="memitem:a10f2191977cdd9ae47b9cd65f776be67"·id="r_a10f2191977cdd9ae47b9cd65f776be67"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a10f2191977cdd9ae47b9cd65f776be67">setSimpleAtomTypes</a>·(std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;new_types)</td></tr>111 <tr·class="memitem:a10f2191977cdd9ae47b9cd65f776be67"·id="r_a10f2191977cdd9ae47b9cd65f776be67"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a10f2191977cdd9ae47b9cd65f776be67">setSimpleAtomTypes</a>·(std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;new_types)</td></tr>
112 <tr·class="separator:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:a10f2191977cdd9ae47b9cd65f776be67"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 <tr·class="memitem:a958f03b36f7fb5a15473f2e50f84c682"·id="r_a958f03b36f7fb5a15473f2e50f84c682"><td·class="memItemLeft"·align="right"·valign="top">const·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a958f03b36f7fb5a15473f2e50f84c682">getSimpleAtomTypes</a>·()</td></tr>113 <tr·class="memitem:a958f03b36f7fb5a15473f2e50f84c682"·id="r_a958f03b36f7fb5a15473f2e50f84c682"><td·class="memItemLeft"·align="right"·valign="top">const·std::set&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d08/a03730.html#a958f03b36f7fb5a15473f2e50f84c682">getSimpleAtomTypes</a>·()</td></tr>
114 <tr·class="separator:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memSeparator"·colspan="2">&#160;</td></tr>114 <tr·class="separator:a958f03b36f7fb5a15473f2e50f84c682"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
115 </table>115 </table>
116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>116 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
117 <div·class="textblock">117 <div·class="textblock">
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">structurePreparer.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01574_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/df5/a01574_source.html">structurePreparer.h</a>.</p>
119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>119 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
120 <a·id="a90046b3b6555356d33d5943ca85518f5"·name="a90046b3b6555356d33d5943ca85518f5"></a>120 <a·id="a90046b3b6555356d33d5943ca85518f5"·name="a90046b3b6555356d33d5943ca85518f5"></a>
121 <h2·class="memtitle"><span·class="permalink"><a·href="#a90046b3b6555356d33d5943ca85518f5">&#9670;&#160;</a></span>StructurePreparer()</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#a90046b3b6555356d33d5943ca85518f5">&#9670;&#160;</a></span>StructurePreparer()</h2>
  
122 <div·class="memitem">122 <div·class="memitem">
123 <div·class="memproto">123 <div·class="memproto">
124 ······<table·class="memname">124 ······<table·class="memname">
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_b878c16349dc35cd6d238899ef64b59a.html">MDSIMULATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molecularDynamics.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">surfaceModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/surfaceProcessor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../de/d14/a01640_source.html">BALL/MOLMEC/COMMON/atomVector.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../da/d0a/a01526_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/d0a/a01526_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>87 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dcb/a05154.html">BALL::MolecularDynamics</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6f/a08130.html">BALL::VIEW::AddSurfaceModel</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dee/a05158.html">BALL::MolecularDynamics::Option</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dab/a05162.html">BALL::MolecularDynamics::Default</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>97 </table>
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104 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d85/a06231.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d85/a06231.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CHPI::CHGroup·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CHPI::CHGroup·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a8a403c4a212f73292c31fe6138e74279"·id="r_a8a403c4a212f73292c31fe6138e74279"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a8a403c4a212f73292c31fe6138e74279">CHGroup</a>·()</td></tr>86 <tr·class="memitem:a8a403c4a212f73292c31fe6138e74279"·id="r_a8a403c4a212f73292c31fe6138e74279"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a8a403c4a212f73292c31fe6138e74279">CHGroup</a>·()</td></tr>
87 <tr·class="separator:a8a403c4a212f73292c31fe6138e74279"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8a403c4a212f73292c31fe6138e74279"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a0b83b0ac9080220b838e7542b6f11b0b"·id="r_a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a0b83b0ac9080220b838e7542b6f11b0b">~CHGroup</a>·()</td></tr>88 <tr·class="memitem:a0b83b0ac9080220b838e7542b6f11b0b"·id="r_a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#a0b83b0ac9080220b838e7542b6f11b0b">~CHGroup</a>·()</td></tr>
89 <tr·class="separator:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a0b83b0ac9080220b838e7542b6f11b0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 <tr·class="separator:aed218a91864a4188fa69aa0b9415eb99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:aed218a91864a4188fa69aa0b9415eb99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 <tr·class="memitem:af56f329b44fdb27b08d67246d602a8cb"·id="r_af56f329b44fdb27b08d67246d602a8cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#af56f329b44fdb27b08d67246d602a8cb">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>105 <tr·class="memitem:af56f329b44fdb27b08d67246d602a8cb"·id="r_af56f329b44fdb27b08d67246d602a8cb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0b/a06234.html#af56f329b44fdb27b08d67246d602a8cb">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
106 <tr·class="separator:af56f329b44fdb27b08d67246d602a8cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:af56f329b44fdb27b08d67246d602a8cb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 </table>107 </table>
108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>108 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
109 <div·class="textblock"><p>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>109 <div·class="textblock"><p>A·class·for·storing·aliphatic·CH·groups·suitable·for·building·CH-\pi·interactions·with·aromatic·rings.·</p>
  
110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>110 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>111 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
112 <a·id="a8a403c4a212f73292c31fe6138e74279"·name="a8a403c4a212f73292c31fe6138e74279"></a>112 <a·id="a8a403c4a212f73292c31fe6138e74279"·name="a8a403c4a212f73292c31fe6138e74279"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a403c4a212f73292c31fe6138e74279">&#9670;&#160;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a403c4a212f73292c31fe6138e74279">&#9670;&#160;</a></span>CHGroup()·<span·class="overload">[1/3]</span></h2>
  
114 <div·class="memitem">114 <div·class="memitem">
115 <div·class="memproto">115 <div·class="memproto">
116 ······<table·class="memname">116 ······<table·class="memname">
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228 ··</td>228 ··</td>
229 ··<td·class="mlabels-right">229 ··<td·class="mlabels-right">
230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>230 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
231 ··</tr>231 ··</tr>
232 </table>232 </table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
235 </div>235 </div>
236 </div>236 </div>
237 <a·id="acc71c9f99ca434b2b574954363ab0c50"·name="acc71c9f99ca434b2b574954363ab0c50"></a>237 <a·id="acc71c9f99ca434b2b574954363ab0c50"·name="acc71c9f99ca434b2b574954363ab0c50"></a>
238 <h2·class="memtitle"><span·class="permalink"><a·href="#acc71c9f99ca434b2b574954363ab0c50">&#9670;&#160;</a></span>getHAtom()</h2>238 <h2·class="memtitle"><span·class="permalink"><a·href="#acc71c9f99ca434b2b574954363ab0c50">&#9670;&#160;</a></span>getHAtom()</h2>
  
239 <div·class="memitem">239 <div·class="memitem">
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255 ··</td>255 ··</td>
256 ··<td·class="mlabels-right">256 ··<td·class="mlabels-right">
257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>257 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
258 ··</tr>258 ··</tr>
259 </table>259 </table>
260 </div><div·class="memdoc">260 </div><div·class="memdoc">
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">CHPI.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d14/a02066_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../da/d14/a02066_source.html">CHPI.h</a>.</p>
  
262 </div>262 </div>
263 </div>263 </div>
264 <a·id="aca64c70c49e0e84eb04ce5f35d3913aa"·name="aca64c70c49e0e84eb04ce5f35d3913aa"></a>264 <a·id="aca64c70c49e0e84eb04ce5f35d3913aa"·name="aca64c70c49e0e84eb04ce5f35d3913aa"></a>
265 <h2·class="memtitle"><span·class="permalink"><a·href="#aca64c70c49e0e84eb04ce5f35d3913aa">&#9670;&#160;</a></span>setAtoms()</h2>265 <h2·class="memtitle"><span·class="permalink"><a·href="#aca64c70c49e0e84eb04ce5f35d3913aa">&#9670;&#160;</a></span>setAtoms()</h2>
  
266 <div·class="memitem">266 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../dc/d33/a07259.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d33/a07259.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SmilesParser::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SmilesParser::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/smilesParser.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a5e4f8057c82d5a3e6461d2f525ef6b1a"·id="r_a5e4f8057c82d5a3e6461d2f525ef6b1a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#a5e4f8057c82d5a3e6461d2f525ef6b1a">char_count</a></td></tr>86 <tr·class="memitem:a5e4f8057c82d5a3e6461d2f525ef6b1a"·id="r_a5e4f8057c82d5a3e6461d2f525ef6b1a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#a5e4f8057c82d5a3e6461d2f525ef6b1a">char_count</a></td></tr>
87 <tr·class="separator:a5e4f8057c82d5a3e6461d2f525ef6b1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a5e4f8057c82d5a3e6461d2f525ef6b1a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:adaeaa7313483a7c1571be842d08ca78d"·id="r_adaeaa7313483a7c1571be842d08ca78d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d87/a07250.html">SmilesParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#adaeaa7313483a7c1571be842d08ca78d">current_parser</a></td></tr>88 <tr·class="memitem:adaeaa7313483a7c1571be842d08ca78d"·id="r_adaeaa7313483a7c1571be842d08ca78d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d87/a07250.html">SmilesParser</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#adaeaa7313483a7c1571be842d08ca78d">current_parser</a></td></tr>
89 <tr·class="separator:adaeaa7313483a7c1571be842d08ca78d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:adaeaa7313483a7c1571be842d08ca78d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:afae690937becdfa76846faffbc11337c"·id="r_afae690937becdfa76846faffbc11337c"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#afae690937becdfa76846faffbc11337c">buffer</a></td></tr>90 <tr·class="memitem:afae690937becdfa76846faffbc11337c"·id="r_afae690937becdfa76846faffbc11337c"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d0c/a07262.html#afae690937becdfa76846faffbc11337c">buffer</a></td></tr>
91 <tr·class="separator:afae690937becdfa76846faffbc11337c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:afae690937becdfa76846faffbc11337c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">smilesParser.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dce/a01859_source.html#l00158">158</a>·of·file·<a·class="el"·href="../../d3/dce/a01859_source.html">smilesParser.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="afae690937becdfa76846faffbc11337c"·name="afae690937becdfa76846faffbc11337c"></a>97 <a·id="afae690937becdfa76846faffbc11337c"·name="afae690937becdfa76846faffbc11337c"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#afae690937becdfa76846faffbc11337c">&#9670;&#160;</a></span>buffer</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#afae690937becdfa76846faffbc11337c">&#9670;&#160;</a></span>buffer</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname">const·char*·BALL::SmilesParser::State::buffer</td>103 ··········<td·class="memname">const·char*·BALL::SmilesParser::State::buffer</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">smilesParser.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dce/a01859_source.html#l00162">162</a>·of·file·<a·class="el"·href="../../d3/dce/a01859_source.html">smilesParser.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
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79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData3D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TRegularData3D&lt;·ValueType·&gt;::BlockValueType·Struct·Reference</div></div>
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82 <p>The·block·data·type·for·reading·and·writing·binary·data.··82 <p>The·block·data·type·for·reading·and·writing·binary·data.··
83 ·<a·href="../../da/d0f/a03594.html#details">More...</a></p>83 ·<a·href="../../da/d0f/a03594.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code></p>
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79 ··<div·class="headertitle"><div·class="title">scoreGridSet.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">CHPI.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
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84 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
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85 <code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/>
86 </div>86 </div>
87 <p><a·href="../../da/d14/a02066_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../da/d14/a02066_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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81 <div·class="contents">81 <div·class="contents">
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a01394_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
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84 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QObject&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../da/d15/a00188_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/d15/a00188_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
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98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">clearShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">mainControl.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>
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 83 <code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/>
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82 </div>98 </div>
83 <p><a·href="../../da/d17/a01046_source.html">Go·to·the·source·code·of·this·file.</a></p>99 <p><a·href="../../da/d17/a01046_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">100 <table·class="memberdecls">
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85 <p><a·href="../../da/d18/a01850_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../da/d18/a01850_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">89 <table·class="memberdecls">
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Invalid·iterator.·The·iterator·on·which·an·operation·should·be·performed·was·invalid.·</p>143 <div·class="textblock"><p>Invalid·iterator.·The·iterator·on·which·an·operation·should·be·performed·was·invalid.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00268">268</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ac135b0db68723428ec9ff7aba88c1163"·name="ac135b0db68723428ec9ff7aba88c1163"></a>146 <a·id="ac135b0db68723428ec9ff7aba88c1163"·name="ac135b0db68723428ec9ff7aba88c1163"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac135b0db68723428ec9ff7aba88c1163">&#9670;&#160;</a></span>InvalidIterator()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ac135b0db68723428ec9ff7aba88c1163">&#9670;&#160;</a></span>InvalidIterator()</h2>
  
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80 ··<div·class="headertitle"><div·class="title">BALL::BondOrderAssignmentStrategy·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::BondOrderAssignmentStrategy·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Base·class·for·bond·order·assignment·algorithms.··83 <p>Base·class·for·bond·order·assignment·algorithms.··
84 ·<a·href="../../da/d1a/a06726.html#details">More...</a></p>84 ·<a·href="../../da/d1a/a06726.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d0/d9d/a01760_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::BondOrderAssignmentStrategy:</div>87 Inheritance·diagram·for·BALL::BondOrderAssignmentStrategy:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../da/d1a/a06726.png"·usemap="#BALL::BondOrderAssignmentStrategy_map"·alt=""/>90 ··<img·src="../../da/d1a/a06726.png"·usemap="#BALL::BondOrderAssignmentStrategy_map"·alt=""/>
91 ··<map·id="BALL::BondOrderAssignmentStrategy_map"·name="BALL::BondOrderAssignmentStrategy_map">91 ··<map·id="BALL::BondOrderAssignmentStrategy_map"·name="BALL::BondOrderAssignmentStrategy_map">
92 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>92 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>
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120 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<br·/></td></tr>120 <tr·class="memdesc:aa427f3b20a4a069c6823048a3c374c89"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Our·parent·processor.··<br·/></td></tr>
121 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:aa427f3b20a4a069c6823048a3c374c89"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p>Base·class·for·bond·order·assignment·algorithms.·</p>124 <div·class="textblock"><p>Base·class·for·bond·order·assignment·algorithms.·</p>
125 <p>This·class·forms·the·base·of·a·hierarchy·of·solution·strategies·for·the·bond·order·assignment·problem.·In·itself,·the·class·is·not·terribly·useful.·Instead,·it·defines·the·interface·for·the·algorithms·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>·which·follows·the·strategy·pattern.·</p>125 <p>This·class·forms·the·base·of·a·hierarchy·of·solution·strategies·for·the·bond·order·assignment·problem.·In·itself,·the·class·is·not·terribly·useful.·Instead,·it·defines·the·interface·for·the·algorithms·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>·which·follows·the·strategy·pattern.·</p>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">bondOrderAssignmentStrategy.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d53/a01688_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d6/d53/a01688_source.html">bondOrderAssignmentStrategy.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="af8ec9a63eadf0967c4c7d674d20391b1"·name="af8ec9a63eadf0967c4c7d674d20391b1"></a>128 <a·id="af8ec9a63eadf0967c4c7d674d20391b1"·name="af8ec9a63eadf0967c4c7d674d20391b1"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#af8ec9a63eadf0967c4c7d674d20391b1">&#9670;&#160;</a></span>BondOrderAssignmentStrategy()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#af8ec9a63eadf0967c4c7d674d20391b1">&#9670;&#160;</a></span>BondOrderAssignmentStrategy()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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292 ··········<td·class="memname"><a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor</a>*·BALL::BondOrderAssignmentStrategy::abop</td>292 ··········<td·class="memname"><a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor</a>*·BALL::BondOrderAssignmentStrategy::abop</td>
293 ········</tr>293 ········</tr>
294 ······</table>294 ······</table>
295 </div><div·class="memdoc">295 </div><div·class="memdoc">
  
296 <p>Our·parent·processor.·</p>296 <p>Our·parent·processor.·</p>
  
297 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9d/a01760_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d9d/a01760_source.html">bondOrderAssignmentStrategy.h</a>.</p>297 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d53/a01688_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d6/d53/a01688_source.html">bondOrderAssignmentStrategy.h</a>.</p>
  
298 </div>298 </div>
299 </div>299 </div>
300 </div><!--·contents·-->300 </div><!--·contents·-->
301 <!--·start·footer·part·-->301 <!--·start·footer·part·-->
302 <hr·class="footer"/><address·class="footer"><small>302 <hr·class="footer"/><address·class="footer"><small>
303 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8303 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d47/a05819.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d47/a05819.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PLSModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PLSModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d54/a00938_source.html">BALL/QSAR/plsModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d29/a00470_source.html">BALL/QSAR/plsModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::PLSModel:</div>83 Inheritance·diagram·for·BALL::QSAR::PLSModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d1d/a05822.png"·usemap="#BALL::QSAR::PLSModel_map"·alt=""/>86 ··<img·src="../../da/d1d/a05822.png"·usemap="#BALL::QSAR::PLSModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::PLSModel_map"·name="BALL::QSAR::PLSModel_map">87 ··<map·id="BALL::QSAR::PLSModel_map"·name="BALL::QSAR::PLSModel_map">
88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>
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274 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>274 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
275 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>275 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
276 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>276 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
277 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>277 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
278 </table>278 </table>
279 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>279 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
280 <div·class="textblock">280 <div·class="textblock">
281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">plsModel.h</a>.</p>281 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
282 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>282 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
283 <a·id="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"·name="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"></a>283 <a·id="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"·name="af0b55e00bc3d78b7e2c9f1cbb7c1ac09"></a>
284 <h2·class="memtitle"><span·class="permalink"><a·href="#af0b55e00bc3d78b7e2c9f1cbb7c1ac09">&#9670;&#160;</a></span>PLSModel()</h2>284 <h2·class="memtitle"><span·class="permalink"><a·href="#af0b55e00bc3d78b7e2c9f1cbb7c1ac09">&#9670;&#160;</a></span>PLSModel()</h2>
  
285 <div·class="memitem">285 <div·class="memitem">
286 <div·class="memproto">286 <div·class="memproto">
287 ······<table·class="memname">287 ······<table·class="memname">
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522 ··</td>522 ··</td>
523 ··<td·class="mlabels-right">523 ··<td·class="mlabels-right">
524 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>524 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
525 ··</tr>525 ··</tr>
526 </table>526 </table>
527 </div><div·class="memdoc">527 </div><div·class="memdoc">
  
528 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">plsModel.h</a>.</p>528 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
  
529 </div>529 </div>
530 </div>530 </div>
531 <a·id="a54ce2fc9026307321ee15564584c0f4f"·name="a54ce2fc9026307321ee15564584c0f4f"></a>531 <a·id="a54ce2fc9026307321ee15564584c0f4f"·name="a54ce2fc9026307321ee15564584c0f4f"></a>
532 <h2·class="memtitle"><span·class="permalink"><a·href="#a54ce2fc9026307321ee15564584c0f4f">&#9670;&#160;</a></span>U_</h2>532 <h2·class="memtitle"><span·class="permalink"><a·href="#a54ce2fc9026307321ee15564584c0f4f">&#9670;&#160;</a></span>U_</h2>
  
533 <div·class="memitem">533 <div·class="memitem">
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546 ··</td>546 ··</td>
547 ··<td·class="mlabels-right">547 ··<td·class="mlabels-right">
548 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>548 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
549 ··</tr>549 ··</tr>
550 </table>550 </table>
551 </div><div·class="memdoc">551 </div><div·class="memdoc">
  
552 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d54/a00938_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/d54/a00938_source.html">plsModel.h</a>.</p>552 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d29/a00470_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d0/d29/a00470_source.html">plsModel.h</a>.</p>
  
553 </div>553 </div>
554 </div>554 </div>
555 </div><!--·contents·-->555 </div><!--·contents·-->
556 <!--·start·footer·part·-->556 <!--·start·footer·part·-->
557 <hr·class="footer"/><address·class="footer"><small>557 <hr·class="footer"/><address·class="footer"><small>
558 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8558 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
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85 </div>83 </div>
86 <p><a·href="../../da/d1e/a00149_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/d1e/a00149_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a> 
101 Variables</h2></td></tr> 
102 <tr·class="memitem:a41d489d47d8a19fbc6306714eae7b9fb"·id="r_a41d489d47d8a19fbc6306714eae7b9fb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a41d489d47d8a19fbc6306714eae7b9fb">BALL::VIEW::BALL_SELECTED_COLOR</a></td></tr> 
103 <tr·class="separator:a41d489d47d8a19fbc6306714eae7b9fb"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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105 <tr·class="separator:a5f62a726132f39c0b6f8bda6b2cda529"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/KERNEL/PDBAtom.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_charmmConfigurationDialog.h&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/DOCKING/COMMON/flexibleMolecule.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/DOCKING/COMMON/flexDefinition.h</a>&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../da/d20/a01160_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d20/a01160_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
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79 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::TooFewCoordinates·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::TooFewCoordinates·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d92/a01796_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d3/d92/a01796_source.html">RMSDMinimizer.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a647a3b35e98e0c12088773415c9c1624"·name="a647a3b35e98e0c12088773415c9c1624"></a>146 <a·id="a647a3b35e98e0c12088773415c9c1624"·name="a647a3b35e98e0c12088773415c9c1624"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a647a3b35e98e0c12088773415c9c1624">&#9670;&#160;</a></span>TooFewCoordinates()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a647a3b35e98e0c12088773415c9c1624">&#9670;&#160;</a></span>TooFewCoordinates()</h2>
  
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78 <a·href="../../d5/dc5/a05419.html">List·of·all·members</a>··</div>78 <a·href="../../d5/dc5/a05419.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Values·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Values·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aa6769675d1ef627986d8b5da49a980b5"·id="r_aa6769675d1ef627986d8b5da49a980b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html#aa6769675d1ef627986d8b5da49a980b5">r0</a></td></tr>86 <tr·class="memitem:aa6769675d1ef627986d8b5da49a980b5"·id="r_aa6769675d1ef627986d8b5da49a980b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html#aa6769675d1ef627986d8b5da49a980b5">r0</a></td></tr>
87 <tr·class="separator:aa6769675d1ef627986d8b5da49a980b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aa6769675d1ef627986d8b5da49a980b5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a9d4d29e1fb9c515d2e7fb8de7c53ab92"·id="r_a9d4d29e1fb9c515d2e7fb8de7c53ab92"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html#a9d4d29e1fb9c515d2e7fb8de7c53ab92">k</a></td></tr>88 <tr·class="memitem:a9d4d29e1fb9c515d2e7fb8de7c53ab92"·id="r_a9d4d29e1fb9c515d2e7fb8de7c53ab92"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html#a9d4d29e1fb9c515d2e7fb8de7c53ab92">k</a></td></tr>
89 <tr·class="separator:a9d4d29e1fb9c515d2e7fb8de7c53ab92"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a9d4d29e1fb9c515d2e7fb8de7c53ab92"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a9d4d29e1fb9c515d2e7fb8de7c53ab92"·name="a9d4d29e1fb9c515d2e7fb8de7c53ab92"></a>95 <a·id="a9d4d29e1fb9c515d2e7fb8de7c53ab92"·name="a9d4d29e1fb9c515d2e7fb8de7c53ab92"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d4d29e1fb9c515d2e7fb8de7c53ab92">&#9670;&#160;</a></span>k</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d4d29e1fb9c515d2e7fb8de7c53ab92">&#9670;&#160;</a></span>k</h2>
  
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100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticBondStretch::Values::k</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticBondStretch::Values::k</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="aa6769675d1ef627986d8b5da49a980b5"·name="aa6769675d1ef627986d8b5da49a980b5"></a>108 <a·id="aa6769675d1ef627986d8b5da49a980b5"·name="aa6769675d1ef627986d8b5da49a980b5"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6769675d1ef627986d8b5da49a980b5">&#9670;&#160;</a></span>r0</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa6769675d1ef627986d8b5da49a980b5">&#9670;&#160;</a></span>r0</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticBondStretch::Values::r0</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::QuadraticBondStretch::Values::r0</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
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8 <title>BALL:·hashSet.h·File·Reference</title>8 <title>BALL:·stretchComponent.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">hashSet.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">stretchComponent.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d35/a01184_source.html">BALL/COMMON/hash.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d0/d36/a01388_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/DATATYPE/forEach.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d1/d33/a20356_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;algorithm&gt;</code><br·/> 
89 </div>84 </div>
90 <p><a·href="../../da/d2a/a00086_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d2a/a00086_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">86 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>88 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8b/a03538.html">BALL::HashSet&lt;·Key·&gt;</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/de6/a05126.html">BALL::StretchComponent</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d5e/a03542.html">BALL::HashSet&lt;·Key·&gt;::Node</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d96/a03546.html">BALL::HashSet&lt;·Key·&gt;::IteratorTraits</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dab/a03550.html">BALL::HashSet&lt;·Key·&gt;::IllegalKey</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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8 <title>BALL:·gridedPLP.h·File·Reference</title>8 <title>BALL:·amberEvaluation.h·File·Reference</title>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">gridedPLP.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">amberEvaluation.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a02087_source.html">BALL/SCORING/COMMON/diffGridBasedScoring.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d52/a02027_source.html">BALL/SCORING/FUNCTIONS/forceFieldEvaluation.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/MOLMEC/MMFF94/MMFF94.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d51/a00017_source.html">BALL/MOLMEC/AMBER/amber.h</a>&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../da/d2d/a02018_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d2d/a02018_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a06398.html">BALL::GridedPLP</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d19/a06382.html">BALL::AmberEvaluation</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d5/d2a/a08299.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d2a/a08299.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RTfactRenderer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RTfactRenderer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../de/d8e/a02213.html">Renderer</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d5d/a00278_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::RTfactRenderer:</div>85 Inheritance·diagram·for·BALL::VIEW::RTfactRenderer:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../da/d2d/a08302.png"·usemap="#BALL::VIEW::RTfactRenderer_map"·alt=""/>88 ··<img·src="../../da/d2d/a08302.png"·usemap="#BALL::VIEW::RTfactRenderer_map"·alt=""/>
89 ··<map·id="BALL::VIEW::RTfactRenderer_map"·name="BALL::VIEW::RTfactRenderer_map">89 ··<map·id="BALL::VIEW::RTfactRenderer_map"·name="BALL::VIEW::RTfactRenderer_map">
90 <area·href="../../d7/dac/a08278.html"·alt="BALL::VIEW::RaytracingRenderer"·shape="rect"·coords="0,112,200,136"/>90 <area·href="../../d7/dac/a08278.html"·alt="BALL::VIEW::RaytracingRenderer"·shape="rect"·coords="0,112,200,136"/>
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327 <tr·class="separator:a02a5d8e1883458fae778dca972df1ed6·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>327 <tr·class="separator:a02a5d8e1883458fae778dca972df1ed6·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
328 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"·id="r_aeb4683041444b3d15fdca7f2a5d5ec7b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>328 <tr·class="memitem:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"·id="r_aeb4683041444b3d15fdca7f2a5d5ec7b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/d51/a08282.html#a8f0efaa5bad41c3e48e3b22e39333991">StereoMode</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a08282.html#aeb4683041444b3d15fdca7f2a5d5ec7b">stereo_</a></td></tr>
329 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>329 <tr·class="separator:aeb4683041444b3d15fdca7f2a5d5ec7b·inherit·pro_attribs_a08282"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
330 </table>330 </table>
331 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>331 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
332 <div·class="textblock"><p><a·class="el"·href="../../da/d2d/a08302.html">RTfactRenderer</a>·Provides·ray·tracing·through·RTfact-RTRemote·</p>332 <div·class="textblock"><p><a·class="el"·href="../../da/d2d/a08302.html">RTfactRenderer</a>·Provides·ray·tracing·through·RTfact-RTRemote·</p>
  
333 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>333 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
334 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>334 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
335 <a·id="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"·name="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"></a>335 <a·id="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"·name="ae6a7d37c57c9df5e90e9ab1eefd7fd5a"></a>
336 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6a7d37c57c9df5e90e9ab1eefd7fd5a">&#9670;&#160;</a></span>RTfactRenderer()</h2>336 <h2·class="memtitle"><span·class="permalink"><a·href="#ae6a7d37c57c9df5e90e9ab1eefd7fd5a">&#9670;&#160;</a></span>RTfactRenderer()</h2>
  
337 <div·class="memitem">337 <div·class="memitem">
338 <div·class="memproto">338 <div·class="memproto">
339 <table·class="mlabels">339 <table·class="mlabels">
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354 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>354 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
355 ··</tr>355 ··</tr>
356 </table>356 </table>
357 </div><div·class="memdoc">357 </div><div·class="memdoc">
  
358 <p>Default·Constructor.·</p>358 <p>Default·Constructor.·</p>
  
359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
360 </div>360 </div>
361 </div>361 </div>
362 <a·id="a3445b467cb5fe23223831c8644d7f43a"·name="a3445b467cb5fe23223831c8644d7f43a"></a>362 <a·id="a3445b467cb5fe23223831c8644d7f43a"·name="a3445b467cb5fe23223831c8644d7f43a"></a>
363 <h2·class="memtitle"><span·class="permalink"><a·href="#a3445b467cb5fe23223831c8644d7f43a">&#9670;&#160;</a></span>~RTfactRenderer()</h2>363 <h2·class="memtitle"><span·class="permalink"><a·href="#a3445b467cb5fe23223831c8644d7f43a">&#9670;&#160;</a></span>~RTfactRenderer()</h2>
  
364 <div·class="memitem">364 <div·class="memitem">
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383 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>383 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
384 ··</tr>384 ··</tr>
385 </table>385 </table>
386 </div><div·class="memdoc">386 </div><div·class="memdoc">
  
387 <p>Destructor.·</p>387 <p>Destructor.·</p>
  
388 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>388 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
389 </div>389 </div>
390 </div>390 </div>
391 <h2·class="groupheader">Member·Function·Documentation</h2>391 <h2·class="groupheader">Member·Function·Documentation</h2>
392 <a·id="ac08f9d0c80beface4a535c1d5f670765"·name="ac08f9d0c80beface4a535c1d5f670765"></a>392 <a·id="ac08f9d0c80beface4a535c1d5f670765"·name="ac08f9d0c80beface4a535c1d5f670765"></a>
393 <h2·class="memtitle"><span·class="permalink"><a·href="#ac08f9d0c80beface4a535c1d5f670765">&#9670;&#160;</a></span>bufferRepresentation()</h2>393 <h2·class="memtitle"><span·class="permalink"><a·href="#ac08f9d0c80beface4a535c1d5f670765">&#9670;&#160;</a></span>bufferRepresentation()</h2>
  
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489 ··</tr>489 ··</tr>
490 </table>490 </table>
491 </div><div·class="memdoc">491 </div><div·class="memdoc">
492 <p>This·is·called·once·the·<a·class="el"·href="../../d2/df9/a08342.html">FrameBufferFormat</a>·has·been·set·so·the·renderer·can·perform·any·initialization·steps·that·are·needed.·</p>492 <p>This·is·called·once·the·<a·class="el"·href="../../d2/df9/a08342.html">FrameBufferFormat</a>·has·been·set·so·the·renderer·can·perform·any·initialization·steps·that·are·needed.·</p>
  
493 <p>Implements·<a·class="el"·href="../../d0/d0b/a08254.html#a03f41f4746d2355979266a1557a03ff2">BALL::VIEW::BufferedRenderer</a>.</p>493 <p>Implements·<a·class="el"·href="../../d0/d0b/a08254.html#a03f41f4746d2355979266a1557a03ff2">BALL::VIEW::BufferedRenderer</a>.</p>
  
494 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>494 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
495 </div>495 </div>
496 </div>496 </div>
497 <a·id="ae8c09d4a89aade79795d7b1eac14e532"·name="ae8c09d4a89aade79795d7b1eac14e532"></a>497 <a·id="ae8c09d4a89aade79795d7b1eac14e532"·name="ae8c09d4a89aade79795d7b1eac14e532"></a>
498 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8c09d4a89aade79795d7b1eac14e532">&#9670;&#160;</a></span>getFPS()</h2>498 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8c09d4a89aade79795d7b1eac14e532">&#9670;&#160;</a></span>getFPS()</h2>
  
499 <div·class="memitem">499 <div·class="memitem">
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609 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>609 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
610 ··</tr>610 ··</tr>
611 </table>611 </table>
612 </div><div·class="memdoc">612 </div><div·class="memdoc">
  
613 <p>Implements·<a·class="el"·href="../../d7/dac/a08278.html#ae16c9b95ce70ea82adae4a519b92a442">BALL::VIEW::RaytracingRenderer</a>.</p>613 <p>Implements·<a·class="el"·href="../../d7/dac/a08278.html#ae16c9b95ce70ea82adae4a519b92a442">BALL::VIEW::RaytracingRenderer</a>.</p>
  
614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d5d/a00278_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../dc/d5d/a00278_source.html">rtfactRenderer.h</a>.</p>614 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d8b/a01469_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../d9/d8b/a01469_source.html">rtfactRenderer.h</a>.</p>
  
615 </div>615 </div>
616 </div>616 </div>
617 <a·id="a31d758b2b2a822db69aa1b076f696887"·name="a31d758b2b2a822db69aa1b076f696887"></a>617 <a·id="a31d758b2b2a822db69aa1b076f696887"·name="a31d758b2b2a822db69aa1b076f696887"></a>
618 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d758b2b2a822db69aa1b076f696887">&#9670;&#160;</a></span>hasFPScounter()</h2>618 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d758b2b2a822db69aa1b076f696887">&#9670;&#160;</a></span>hasFPScounter()</h2>
  
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Thread·for·Docking.··83 <p>Thread·for·Docking.··
84 ·<a·href="../../da/d2e/a08010.html#details">More...</a></p>84 ·<a·href="../../da/d2e/a08010.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::DockingThread:</div>87 Inheritance·diagram·for·BALL::VIEW::DockingThread:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../da/d2e/a08010.png"·usemap="#BALL::VIEW::DockingThread_map"·alt=""/>90 ··<img·src="../../da/d2e/a08010.png"·usemap="#BALL::VIEW::DockingThread_map"·alt=""/>
91 ··<map·id="BALL::VIEW::DockingThread_map"·name="BALL::VIEW::DockingThread_map">91 ··<map·id="BALL::VIEW::DockingThread_map"·name="BALL::VIEW::DockingThread_map">
92 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,172,80"/>92 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,172,80"/>
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140 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>141 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
142 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 </table>143 </table>
144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>144 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
145 <div·class="textblock"><p>Thread·for·Docking.·</p>145 <div·class="textblock"><p>Thread·for·Docking.·</p>
  
146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00275">275</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00275">275</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>147 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
148 <a·id="ad5a2293337ed1be6cb3ffd7db58a576c"·name="ad5a2293337ed1be6cb3ffd7db58a576c"></a>148 <a·id="ad5a2293337ed1be6cb3ffd7db58a576c"·name="ad5a2293337ed1be6cb3ffd7db58a576c"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5a2293337ed1be6cb3ffd7db58a576c">&#9670;&#160;</a></span>DockingThread()</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5a2293337ed1be6cb3ffd7db58a576c">&#9670;&#160;</a></span>DockingThread()</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
151 <div·class="memproto">151 <div·class="memproto">
152 ······<table·class="memname">152 ······<table·class="memname">
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276 ··</td>276 ··</td>
277 ··<td·class="mlabels-right">277 ··<td·class="mlabels-right">
278 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>278 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
279 ··</tr>279 ··</tr>
280 </table>280 </table>
281 </div><div·class="memdoc">281 </div><div·class="memdoc">
  
282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00296">296</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00296">296</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
283 </div>283 </div>
284 </div>284 </div>
285 </div><!--·contents·-->285 </div><!--·contents·-->
286 <!--·start·footer·part·-->286 <!--·start·footer·part·-->
287 <hr·class="footer"/><address·class="footer"><small>287 <hr·class="footer"/><address·class="footer"><small>
288 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8288 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/d17/a03783.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d17/a03783.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RotateBonds·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RotateBonds·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a23b8df04ee5cb5c93591c3bcd35a78db"·id="r_a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a23b8df04ee5cb5c93591c3bcd35a78db">RotateBonds</a>·(const·vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;·*rotatable_bonds)</td></tr>86 <tr·class="memitem:a23b8df04ee5cb5c93591c3bcd35a78db"·id="r_a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a23b8df04ee5cb5c93591c3bcd35a78db">RotateBonds</a>·(const·vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;·*rotatable_bonds)</td></tr>
87 <tr·class="separator:a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a23b8df04ee5cb5c93591c3bcd35a78db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a9ffc8f83a800ded1ab1e1daf1835ca4c"·id="r_a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a9ffc8f83a800ded1ab1e1daf1835ca4c">RotateBonds</a>·(const·<a·class="el"·href="../../da/d38/a03786.html">RotateBonds</a>·&amp;rb)</td></tr>88 <tr·class="memitem:a9ffc8f83a800ded1ab1e1daf1835ca4c"·id="r_a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a9ffc8f83a800ded1ab1e1daf1835ca4c">RotateBonds</a>·(const·<a·class="el"·href="../../da/d38/a03786.html">RotateBonds</a>·&amp;rb)</td></tr>
89 <tr·class="separator:a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a9ffc8f83a800ded1ab1e1daf1835ca4c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
Offset 95, 15 lines modifiedOffset 95, 15 lines modified
95 <tr·class="memitem:a76c4d57a4996a36e29ce8118a1191ffb"·id="r_a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a76c4d57a4996a36e29ce8118a1191ffb">rotate</a>·(std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·vec)</td></tr>95 <tr·class="memitem:a76c4d57a4996a36e29ce8118a1191ffb"·id="r_a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a76c4d57a4996a36e29ce8118a1191ffb">rotate</a>·(std::vector&lt;·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&gt;·vec)</td></tr>
96 <tr·class="separator:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a76c4d57a4996a36e29ce8118a1191ffb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a2e057f7dade2d71673182104f9aed51a"·id="r_a2e057f7dade2d71673182104f9aed51a"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a2e057f7dade2d71673182104f9aed51a">numberBonds</a>·()</td></tr>97 <tr·class="memitem:a2e057f7dade2d71673182104f9aed51a"·id="r_a2e057f7dade2d71673182104f9aed51a"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html#a2e057f7dade2d71673182104f9aed51a">numberBonds</a>·()</td></tr>
98 <tr·class="separator:a2e057f7dade2d71673182104f9aed51a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a2e057f7dade2d71673182104f9aed51a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">rotateBonds.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">rotateBonds.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="a23b8df04ee5cb5c93591c3bcd35a78db"·name="a23b8df04ee5cb5c93591c3bcd35a78db"></a>104 <a·id="a23b8df04ee5cb5c93591c3bcd35a78db"·name="a23b8df04ee5cb5c93591c3bcd35a78db"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a23b8df04ee5cb5c93591c3bcd35a78db">&#9670;&#160;</a></span>RotateBonds()·<span·class="overload">[1/2]</span></h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a23b8df04ee5cb5c93591c3bcd35a78db">&#9670;&#160;</a></span>RotateBonds()·<span·class="overload">[1/2]</span></h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
79 <a·href="../../d8/ddb/a07807.html">List·of·all·members</a>··</div>79 <a·href="../../d8/ddb/a07807.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IconLoader·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::IconLoader·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d6/de1/a00233_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a73b3a119d3564949cfe55a8b133375b2"·id="r_a73b3a119d3564949cfe55a8b133375b2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a73b3a119d3564949cfe55a8b133375b2">IconLoader</a>·()</td></tr>87 <tr·class="memitem:a73b3a119d3564949cfe55a8b133375b2"·id="r_a73b3a119d3564949cfe55a8b133375b2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a73b3a119d3564949cfe55a8b133375b2">IconLoader</a>·()</td></tr>
88 <tr·class="separator:a73b3a119d3564949cfe55a8b133375b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a73b3a119d3564949cfe55a8b133375b2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:a2e79045d03021131acfbfd89631e1af9"·id="r_a2e79045d03021131acfbfd89631e1af9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a2e79045d03021131acfbfd89631e1af9">IconLoader</a>·(const·QStringList·&amp;icon_dirs)</td></tr>89 <tr·class="memitem:a2e79045d03021131acfbfd89631e1af9"·id="r_a2e79045d03021131acfbfd89631e1af9"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a2e79045d03021131acfbfd89631e1af9">IconLoader</a>·(const·QStringList·&amp;icon_dirs)</td></tr>
90 <tr·class="separator:a2e79045d03021131acfbfd89631e1af9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a2e79045d03021131acfbfd89631e1af9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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102 Static·Public·Member·Functions</h2></td></tr>102 Static·Public·Member·Functions</h2></td></tr>
103 <tr·class="memitem:a92bcef3260e2a40cc9fb2861810d56be"·id="r_a92bcef3260e2a40cc9fb2861810d56be"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/d3d/a07810.html">IconLoader</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a92bcef3260e2a40cc9fb2861810d56be">instance</a>·()</td></tr>103 <tr·class="memitem:a92bcef3260e2a40cc9fb2861810d56be"·id="r_a92bcef3260e2a40cc9fb2861810d56be"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/d3d/a07810.html">IconLoader</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3d/a07810.html#a92bcef3260e2a40cc9fb2861810d56be">instance</a>·()</td></tr>
104 <tr·class="separator:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a92bcef3260e2a40cc9fb2861810d56be"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p>This·class·is·an·icon·loader·for·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·classes.·It·handles·icon·themes·as·defined·in·the·freedesktop.org·standard.·It·automatically·detects·all·present·resolutions·of·an·icon·and·loads·them.·Furthermore·it·features·an·icon·cache·in·order·to·minimize·disk·access.·There·are·essentially·two·ways·to·use·this·class:·Use·it·in·a·singleton·wise·fashion·or·create·an·specialized·instance.·</p>107 <div·class="textblock"><p>This·class·is·an·icon·loader·for·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·classes.·It·handles·icon·themes·as·defined·in·the·freedesktop.org·standard.·It·automatically·detects·all·present·resolutions·of·an·icon·and·loads·them.·Furthermore·it·features·an·icon·cache·in·order·to·minimize·disk·access.·There·are·essentially·two·ways·to·use·this·class:·Use·it·in·a·singleton·wise·fashion·or·create·an·specialized·instance.·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/de1/a00233_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/de1/a00233_source.html">iconLoader.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">iconLoader.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="a73b3a119d3564949cfe55a8b133375b2"·name="a73b3a119d3564949cfe55a8b133375b2"></a>110 <a·id="a73b3a119d3564949cfe55a8b133375b2"·name="a73b3a119d3564949cfe55a8b133375b2"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b3a119d3564949cfe55a8b133375b2">&#9670;&#160;</a></span>IconLoader()·<span·class="overload">[1/3]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a73b3a119d3564949cfe55a8b133375b2">&#9670;&#160;</a></span>IconLoader()·<span·class="overload">[1/3]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../da/dfb/a05547.html">List·of·all·members</a>··</div>80 <a·href="../../da/dfb/a05547.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::PluginHandler·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::PluginHandler·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::PluginHandler:</div>86 Inheritance·diagram·for·BALL::PluginHandler:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../da/d41/a05550.png"·usemap="#BALL::PluginHandler_map"·alt=""/>89 ··<img·src="../../da/d41/a05550.png"·usemap="#BALL::PluginHandler_map"·alt=""/>
90 ··<map·id="BALL::PluginHandler_map"·name="BALL::PluginHandler_map">90 ··<map·id="BALL::PluginHandler_map"·name="BALL::PluginHandler_map">
91 <area·href="../../d9/da8/a08138.html"·alt="BALL::VIEW::InputDevPluginHandler"·shape="rect"·coords="0,56,251,80"/>91 <area·href="../../d9/da8/a08138.html"·alt="BALL::VIEW::InputDevPluginHandler"·shape="rect"·coords="0,56,251,80"/>
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120 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2"·id="r_ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>120 <tr·class="memitem:ad2f1fe3a241b5069c4a60b4429e71ec2"·id="r_ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memItemLeft"·align="right"·valign="top">std::list&lt;·<a·class="el"·href="../../d1/d22/a05546.html">BALLPlugin</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d41/a05550.html#ad2f1fe3a241b5069c4a60b4429e71ec2">running_plugins_</a></td></tr>
121 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:ad2f1fe3a241b5069c4a60b4429e71ec2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p>A·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·a·class·that·is·responsible·for·initializing·a·certain·plugin·type.·It·provides·the·method·<a·class="el"·href="../../da/d41/a05550.html#a09163c9ed4c90b473c6e5ff3734874bc">canHandle()</a>·that·checks·whether·a·plugin·can·be·initialized·by·the·handler·and·has·the·purely·virtual·methods·<a·class="el"·href="../../da/d41/a05550.html#a972aa458368b04312f4a0c3f6aca2041">specificSetup_()</a>·and·<a·class="el"·href="../../da/d41/a05550.html#ae7134d1fc56fa77db6e214baec651d3e">specificShutdown_()</a>·that·provide·plugin·type·specific·initializations.</p>124 <div·class="textblock"><p>A·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·a·class·that·is·responsible·for·initializing·a·certain·plugin·type.·It·provides·the·method·<a·class="el"·href="../../da/d41/a05550.html#a09163c9ed4c90b473c6e5ff3734874bc">canHandle()</a>·that·checks·whether·a·plugin·can·be·initialized·by·the·handler·and·has·the·purely·virtual·methods·<a·class="el"·href="../../da/d41/a05550.html#a972aa458368b04312f4a0c3f6aca2041">specificSetup_()</a>·and·<a·class="el"·href="../../da/d41/a05550.html#ae7134d1fc56fa77db6e214baec651d3e">specificShutdown_()</a>·that·provide·plugin·type·specific·initializations.</p>
125 <p>Implementing·a·suitable·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·the·second·step·besides·defining·the·plugin·interface·itsself·that·is·needed·to·create·a·new·plugin·api·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>.·</p>125 <p>Implementing·a·suitable·<a·class="el"·href="../../da/d41/a05550.html">PluginHandler</a>·is·the·second·step·besides·defining·the·plugin·interface·itsself·that·is·needed·to·create·a·new·plugin·api·for·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>.·</p>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d19/a01217_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d19/a01217_source.html">pluginHandler.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">pluginHandler.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="a2081519ac6fe77511b7db77d773325d4"·name="a2081519ac6fe77511b7db77d773325d4"></a>128 <a·id="a2081519ac6fe77511b7db77d773325d4"·name="a2081519ac6fe77511b7db77d773325d4"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a2081519ac6fe77511b7db77d773325d4">&#9670;&#160;</a></span>~PluginHandler()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a2081519ac6fe77511b7db77d773325d4">&#9670;&#160;</a></span>~PluginHandler()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 <table·class="mlabels">132 <table·class="mlabels">
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333 ··<td·class="mlabels-right">333 ··<td·class="mlabels-right">
334 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>334 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
335 ··</tr>335 ··</tr>
336 </table>336 </table>
337 </div><div·class="memdoc">337 </div><div·class="memdoc">
338 <p>The·list·of·plugins·this·handler·is·responsible·for.·Plugins·should·only·be·added/removed·by·using·start/stopPlugin·</p>338 <p>The·list·of·plugins·this·handler·is·responsible·for.·Plugins·should·only·be·added/removed·by·using·start/stopPlugin·</p>
  
339 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d19/a01217_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../da/d19/a01217_source.html">pluginHandler.h</a>.</p>339 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d36/a00650_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../da/d36/a00650_source.html">pluginHandler.h</a>.</p>
  
340 </div>340 </div>
341 </div>341 </div>
342 </div><!--·contents·-->342 </div><!--·contents·-->
343 <!--·start·footer·part·-->343 <!--·start·footer·part·-->
344 <hr·class="footer"/><address·class="footer"><small>344 <hr·class="footer"/><address·class="footer"><small>
345 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8345 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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119 ········<tr>119 ········<tr>
120 ··········<td·class="memname">typedef·<a·class="el"·href="../../df/d96/a03402.html">TContour</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td>120 ··········<td·class="memname">typedef·<a·class="el"·href="../../df/d96/a03402.html">TContour</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../da/d42/a02134.html#ga0028f774bd82ececc28738aabdd2d82b">BALL::Contour</a></td>
121 ········</tr>121 ········</tr>
122 ······</table>122 ······</table>
123 </div><div·class="memdoc">123 </div><div·class="memdoc">
124 <p>Default·type·</p>124 <p>Default·type·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00113_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d3/d00/a00113_source.html">contour.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d73/a00674_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d8/d73/a00674_source.html">contour.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 </div><!--·contents·-->128 </div><!--·contents·-->
129 <!--·start·footer·part·-->129 <!--·start·footer·part·-->
130 <hr·class="footer"/><address·class="footer"><small>130 <hr·class="footer"/><address·class="footer"><small>
131 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8131 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-slots">Public·Slots</a>·&#124;77 <a·href="#pub-slots">Public·Slots</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../d2/d08/a07607.html">List·of·all·members</a>··</div>79 <a·href="../../d2/d08/a07607.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FieldLinesDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FieldLinesDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/VIEW/DIALOGS/fieldLinesDialog.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d5a/a01199_source.html">BALL/VIEW/DIALOGS/fieldLinesDialog.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::FieldLinesDialog:</div>85 Inheritance·diagram·for·BALL::VIEW::FieldLinesDialog:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../da/d42/a07610.png"·usemap="#BALL::VIEW::FieldLinesDialog_map"·alt=""/>88 ··<img·src="../../da/d42/a07610.png"·usemap="#BALL::VIEW::FieldLinesDialog_map"·alt=""/>
89 ··<map·id="BALL::VIEW::FieldLinesDialog_map"·name="BALL::VIEW::FieldLinesDialog_map">89 ··<map·id="BALL::VIEW::FieldLinesDialog_map"·name="BALL::VIEW::FieldLinesDialog_map">
90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,181,24"/>90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,181,24"/>
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164 <tr·class="separator:abeeafb3afe835477c72a6a9e09470345·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>164 <tr·class="separator:abeeafb3afe835477c72a6a9e09470345·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
165 <tr·class="memitem:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"·id="r_ad0f85de6be54e5632f7b1d8d5b2f79bc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d02/a08050.html#ad0f85de6be54e5632f7b1d8d5b2f79bc">use_potential_grid_</a></td></tr>165 <tr·class="memitem:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"·id="r_ad0f85de6be54e5632f7b1d8d5b2f79bc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d02/a08050.html#ad0f85de6be54e5632f7b1d8d5b2f79bc">use_potential_grid_</a></td></tr>
166 <tr·class="separator:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>166 <tr·class="separator:ad0f85de6be54e5632f7b1d8d5b2f79bc·inherit·pub_attribs_a08050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
167 </table>167 </table>
168 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>168 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
169 <div·class="textblock"><p>Dialog·for·creating·field·lines.·</p>169 <div·class="textblock"><p>Dialog·for·creating·field·lines.·</p>
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9d/a00464_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d9d/a00464_source.html">fieldLinesDialog.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5a/a01199_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d5a/a01199_source.html">fieldLinesDialog.h</a>.</p>
171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
172 <a·id="af9552e852524adf3fdc53a125022d327"·name="af9552e852524adf3fdc53a125022d327"></a>172 <a·id="af9552e852524adf3fdc53a125022d327"·name="af9552e852524adf3fdc53a125022d327"></a>
173 <h2·class="memtitle"><span·class="permalink"><a·href="#af9552e852524adf3fdc53a125022d327">&#9670;&#160;</a></span>FieldLinesDialog()</h2>173 <h2·class="memtitle"><span·class="permalink"><a·href="#af9552e852524adf3fdc53a125022d327">&#9670;&#160;</a></span>FieldLinesDialog()</h2>
  
174 <div·class="memitem">174 <div·class="memitem">
175 <div·class="memproto">175 <div·class="memproto">
176 ······<table·class="memname">176 ······<table·class="memname">
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8 <title>BALL:·inputDevPluginHandler.h·File·Reference</title>8 <title>BALL:·crystalInfo.h·File·Reference</title>
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78 ··<div·class="headertitle"><div·class="title">inputDevPluginHandler.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">crystalInfo.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;string&gt;</code><br·/>
82 </div>88 </div>
83 <p><a·href="../../da/d46/a00665_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../da/d46/a00665_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/VIEW/KERNEL/mainControl.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../d8/dd8/a02108_source.html">mainframe.h</a>&quot;</code><br·/>
 82 <code>#include·&quot;<a·class="el"·href="../../d4/d64/a02111_source.html">icons.h</a>&quot;</code><br·/>
 83 <code>#include·&quot;<a·class="el"·href="../../d9/dff/a02099_source.html">demoTutorialDialog.h</a>&quot;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/VIEW/KERNEL/iconLoader.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d0/d39/a01112_source.html">BALL/VIEW/WIDGETS/molecularStructure.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/VIEW/WIDGETS/molecularControl.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../da/db7/a01088_source.html">BALL/VIEW/WIDGETS/geometricControl.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/VIEW/WIDGETS/scene.h</a>&gt;</code><br·/>88 <code>#include·&lt;<a·class="el"·href="../../d1/dfa/a01097_source.html">BALL/VIEW/WIDGETS/logView.h</a>&gt;</code><br·/>
84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>89 <code>#include·&lt;<a·class="el"·href="../../df/dd5/a01115_source.html">BALL/VIEW/WIDGETS/datasetControl.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/VIEW/WIDGETS/fileObserver.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/VIEW/DIALOGS/undoManagerDialog.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../d8/d11/a01178_source.html">BALL/VIEW/DIALOGS/downloadPDBFile.h</a>&gt;</code><br·/>
 94 <code>#include·&lt;<a·class="el"·href="../../d5/d16/a01154_source.html">BALL/VIEW/DIALOGS/downloadElectronDensity.h</a>&gt;</code><br·/>
 95 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/VIEW/DIALOGS/labelDialog.h</a>&gt;</code><br·/>
 96 <code>#include·&lt;<a·class="el"·href="../../d6/df2/a01175_source.html">BALL/VIEW/DIALOGS/displayProperties.h</a>&gt;</code><br·/>
 97 <code>#include·&lt;<a·class="el"·href="../../de/d33/a01274_source.html">BALL/VIEW/DIALOGS/molecularFileDialog.h</a>&gt;</code><br·/>
 98 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/>
 99 <code>#include·&lt;<a·class="el"·href="../../d5/dae/a00767_source.html">BALL/SYSTEM/path.h</a>&gt;</code><br·/>
 100 <code>#include·&lt;<a·class="el"·href="../../de/d34/a20344_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/>
 101 <code>#include·&lt;<a·class="el"·href="../../d8/db7/a00812_source.html">BALL/CONCEPT/moleculeObjectCreator.h</a>&gt;</code><br·/>
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 103 <code>#include·&lt;<a·class="el"·href="../../d3/d8e/a00647_source.html">BALL/PLUGIN/pluginManager.h</a>&gt;</code><br·/>
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 105 <code>#include·&lt;<a·class="el"·href="../../d3/ddc/a01142_source.html">BALL/VIEW/PLUGIN/modularWidgetPluginHandler.h</a>&gt;</code><br·/>
 106 <code>#include·&lt;<a·class="el"·href="../../db/d17/a01148_source.html">BALL/VIEW/PLUGIN/VIEWPlugin.h</a>&gt;</code><br·/>
 107 <code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code><br·/>
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85 </div>109 </div>
86 <p><a·href="../../da/d4a/a02114_source.html">Go·to·the·source·code·of·this·file.</a></p>110 <p><a·href="../../da/d4a/a02114_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">111 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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94 Namespaces</h2></td></tr>113 Namespaces</h2></td></tr>
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96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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78 ··<div·class="headertitle"><div·class="title">dockProblem.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">widgets.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/> 
82 <code>#include·&lt;string&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../df/dd5/a01115_source.html">BALL/DOCKING/GENETICDOCK/geneticAlgorithm.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/> 
92 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
93 <code>#include·&lt;<a·class="el"·href="../../d3/d4f/a00761_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/> 
94 <code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/> 
95 </div> 
96 <p><a·href="../../da/d4e/a01106_source.html">Go·to·the·source·code·of·this·file.</a></p> 
97 <table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
99 Classes</h2></td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d2e/a03734.html">BALL::DockProblem</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table><table·class="memberdecls"> 
103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
104 Namespaces</h2></td></tr> 
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 </table> 
108 </div><!--·contents·-->74 </div><!--·contents·-->
109 <!--·start·footer·part·-->75 <!--·start·footer·part·-->
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_394f7a2165bbe7b208a739dfe4811d48.html">FUNCTIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rotationalEntropy.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rescoring3D.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d0a/a02015_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../da/d51/a02000_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/d51/a02000_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d14/a06358.html">BALL::RotationalEntropy</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/ddb/a06430.html">BALL::Rescoring3D</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d0/dd4/a06595.html">List·of·all·members</a>··</div>78 <a·href="../../d0/dd4/a06595.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/db2/a00020_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aa4a557f7f630c5c88ea4f4cd0b87e9ba"·id="r_aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#aa4a557f7f630c5c88ea4f4cd0b87e9ba">VERBOSITY</a></td></tr>86 <tr·class="memitem:aa4a557f7f630c5c88ea4f4cd0b87e9ba"·id="r_aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#aa4a557f7f630c5c88ea4f4cd0b87e9ba">VERBOSITY</a></td></tr>
87 <tr·class="separator:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aa4a557f7f630c5c88ea4f4cd0b87e9ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a21b09cf4b9f6707eea551b8b68353b8d"·id="r_a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a21b09cf4b9f6707eea551b8b68353b8d">SOLVENT_NUMBER_DENSITY</a></td></tr>88 <tr·class="memitem:a21b09cf4b9f6707eea551b8b68353b8d"·id="r_a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a21b09cf4b9f6707eea551b8b68353b8d">SOLVENT_NUMBER_DENSITY</a></td></tr>
89 <tr·class="separator:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a21b09cf4b9f6707eea551b8b68353b8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 <tr·class="separator:a76dba6d58d61b582a5114c88d8489aed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a76dba6d58d61b582a5114c88d8489aed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a76c95e43115b52f5348987f0aa419549"·id="r_a76c95e43115b52f5348987f0aa419549"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a76c95e43115b52f5348987f0aa419549">PROBE_RADIUS</a></td></tr>95 <tr·class="memitem:a76c95e43115b52f5348987f0aa419549"·id="r_a76c95e43115b52f5348987f0aa419549"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d58/a06598.html#a76c95e43115b52f5348987f0aa419549">PROBE_RADIUS</a></td></tr>
96 <tr·class="separator:a76c95e43115b52f5348987f0aa419549"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a76c95e43115b52f5348987f0aa419549"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dd/d48/a06594.html#a040b55c019cbe356075d91f27cf54a16">ReissCavFreeEnergyProcessor::options</a>.·</p>99 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../dd/d48/a06594.html#a040b55c019cbe356075d91f27cf54a16">ReissCavFreeEnergyProcessor::options</a>.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
101 </div><h2·class="groupheader">Member·Data·Documentation</h2>101 </div><h2·class="groupheader">Member·Data·Documentation</h2>
102 <a·id="a76dba6d58d61b582a5114c88d8489aed"·name="a76dba6d58d61b582a5114c88d8489aed"></a>102 <a·id="a76dba6d58d61b582a5114c88d8489aed"·name="a76dba6d58d61b582a5114c88d8489aed"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a76dba6d58d61b582a5114c88d8489aed">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a76dba6d58d61b582a5114c88d8489aed">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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123 <dl·class="params"><dt>Parameters</dt><dd>123 <dl·class="params"><dt>Parameters</dt><dd>
124 ··<table·class="params">124 ··<table·class="params">
125 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>125 ····<tr><td·class="paramname">absolute_temperature</td><td>float;·</td></tr>
126 ··</table>126 ··</table>
127 ··</dd>127 ··</dd>
128 </dl>128 </dl>
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <a·id="ab1a980e2232428b209f8526608ed2e2e"·name="ab1a980e2232428b209f8526608ed2e2e"></a>132 <a·id="ab1a980e2232428b209f8526608ed2e2e"·name="ab1a980e2232428b209f8526608ed2e2e"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1a980e2232428b209f8526608ed2e2e">&#9670;&#160;</a></span>PRESSURE</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1a980e2232428b209f8526608ed2e2e">&#9670;&#160;</a></span>PRESSURE</h2>
  
134 <div·class="memitem">134 <div·class="memitem">
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154 <dl·class="params"><dt>Parameters</dt><dd>154 <dl·class="params"><dt>Parameters</dt><dd>
155 ··<table·class="params">155 ··<table·class="params">
156 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>156 ····<tr><td·class="paramname">pressure</td><td>float·</td></tr>
157 ··</table>157 ··</table>
158 ··</dd>158 ··</dd>
159 </dl>159 </dl>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
161 </div>161 </div>
162 </div>162 </div>
163 <a·id="a76c95e43115b52f5348987f0aa419549"·name="a76c95e43115b52f5348987f0aa419549"></a>163 <a·id="a76c95e43115b52f5348987f0aa419549"·name="a76c95e43115b52f5348987f0aa419549"></a>
164 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c95e43115b52f5348987f0aa419549">&#9670;&#160;</a></span>PROBE_RADIUS</h2>164 <h2·class="memtitle"><span·class="permalink"><a·href="#a76c95e43115b52f5348987f0aa419549">&#9670;&#160;</a></span>PROBE_RADIUS</h2>
  
165 <div·class="memitem">165 <div·class="memitem">
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185 <dl·class="params"><dt>Parameters</dt><dd>185 <dl·class="params"><dt>Parameters</dt><dd>
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188 ··</table>188 ··</table>
189 ··</dd>189 ··</dd>
190 </dl>190 </dl>
  
191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>191 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
192 </div>192 </div>
193 </div>193 </div>
194 <a·id="a21b09cf4b9f6707eea551b8b68353b8d"·name="a21b09cf4b9f6707eea551b8b68353b8d"></a>194 <a·id="a21b09cf4b9f6707eea551b8b68353b8d"·name="a21b09cf4b9f6707eea551b8b68353b8d"></a>
195 <h2·class="memtitle"><span·class="permalink"><a·href="#a21b09cf4b9f6707eea551b8b68353b8d">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>195 <h2·class="memtitle"><span·class="permalink"><a·href="#a21b09cf4b9f6707eea551b8b68353b8d">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
196 <div·class="memitem">196 <div·class="memitem">
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216 <dl·class="params"><dt>Parameters</dt><dd>216 <dl·class="params"><dt>Parameters</dt><dd>
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222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
223 </div>223 </div>
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225 <a·id="aa4a557f7f630c5c88ea4f4cd0b87e9ba"·name="aa4a557f7f630c5c88ea4f4cd0b87e9ba"></a>225 <a·id="aa4a557f7f630c5c88ea4f4cd0b87e9ba"·name="aa4a557f7f630c5c88ea4f4cd0b87e9ba"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4a557f7f630c5c88ea4f4cd0b87e9ba">&#9670;&#160;</a></span>VERBOSITY</h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4a557f7f630c5c88ea4f4cd0b87e9ba">&#9670;&#160;</a></span>VERBOSITY</h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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247 <dl·class="params"><dt>Parameters</dt><dd>247 <dl·class="params"><dt>Parameters</dt><dd>
248 ··<table·class="params">248 ··<table·class="params">
249 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>249 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
250 ··</table>250 ··</table>
251 ··</dd>251 ··</dd>
252 </dl>252 </dl>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
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259 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8259 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·bayesModel.h·File·Reference</title>8 <title>BALL:·dockResultFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">bayesModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">dockResultFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dc/dbf/a01595_source.html">BALL/DOCKING/COMMON/result.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d2/dc1/a01562_source.html">BALL/DOCKING/COMMON/receptor.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;QtXml/QXmlDefaultHandler&gt;</code><br·/>
 86 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/>
 87 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/>
 88 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>
 89 <code>#include·&lt;QtCore/QTemporaryFile&gt;</code><br·/>
 90 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>91 </div>
83 <p><a·href="../../da/d5b/a00905_source.html">Go·to·the·source·code·of·this·file.</a></p>92 <p><a·href="../../da/d5b/a00905_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">93 <table·class="memberdecls">
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87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d69/a05614.html">BALL::QSAR::BayesModel</a></td></tr>96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d94/a03882.html">BALL::DockResultFile</a></td></tr>
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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94 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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76 ··<div·class="summary">76 ··<div·class="summary">
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79 ··<div·class="headertitle"><div·class="title">BALL::BinaryPredicate&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BinaryPredicate&lt;·T1,·T2·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d33/a20356_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/CONCEPT/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::BinaryPredicate&lt;·T1,·T2·&gt;:</div>84 Inheritance·diagram·for·BALL::BinaryPredicate&lt;·T1,·T2·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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89 <table·class="memberdecls">89 <table·class="memberdecls">
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97 <tr·class="separator:afd61a21231e1700393f5fd93fa5207e9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:afd61a21231e1700393f5fd93fa5207e9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T1,·typename·T2&gt;<br·/>
101 class·BALL::BinaryPredicate&lt;·T1,·T2·&gt;</div><p>Generic·Binary·Predicate·Class·</p>101 class·BALL::BinaryPredicate&lt;·T1,·T2·&gt;</div><p>Generic·Binary·Predicate·Class·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d33/a20356_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/d33/a20356_source.html">CONCEPT/predicate.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">CONCEPT/predicate.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="ae7cddec1ed6a8defa0baace852550ae8"·name="ae7cddec1ed6a8defa0baace852550ae8"></a>104 <a·id="ae7cddec1ed6a8defa0baace852550ae8"·name="ae7cddec1ed6a8defa0baace852550ae8"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7cddec1ed6a8defa0baace852550ae8">&#9670;&#160;</a></span>~BinaryPredicate()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7cddec1ed6a8defa0baace852550ae8">&#9670;&#160;</a></span>~BinaryPredicate()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <div·class="memtemplate">108 <div·class="memtemplate">
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123 ··</td>123 ··</td>
124 ··<td·class="mlabels-right">124 ··<td·class="mlabels-right">
125 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>125 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
126 ··</tr>126 ··</tr>
127 </table>127 </table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d33/a20356_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d1/d33/a20356_source.html">CONCEPT/predicate.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">CONCEPT/predicate.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <h2·class="groupheader">Member·Function·Documentation</h2>132 <h2·class="groupheader">Member·Function·Documentation</h2>
133 <a·id="afd61a21231e1700393f5fd93fa5207e9"·name="afd61a21231e1700393f5fd93fa5207e9"></a>133 <a·id="afd61a21231e1700393f5fd93fa5207e9"·name="afd61a21231e1700393f5fd93fa5207e9"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#afd61a21231e1700393f5fd93fa5207e9">&#9670;&#160;</a></span>operator()()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#afd61a21231e1700393f5fd93fa5207e9">&#9670;&#160;</a></span>operator()()</h2>
  
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164 ··</td>164 ··</td>
165 ··<td·class="mlabels-right">165 ··<td·class="mlabels-right">
166 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>166 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>
167 ··</tr>167 ··</tr>
168 </table>168 </table>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d8/de9/a06767.html">List·of·all·members</a>··</div>79 <a·href="../../d8/de9/a06767.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::ComputingData_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::ComputingData_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a08b3e84a6aefd21fdc784c3380f083f0"·id="r_a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a08b3e84a6aefd21fdc784c3380f083f0">ComputingData_</a>·()</td></tr>87 <tr·class="memitem:a08b3e84a6aefd21fdc784c3380f083f0"·id="r_a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a08b3e84a6aefd21fdc784c3380f083f0">ComputingData_</a>·()</td></tr>
88 <tr·class="separator:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a08b3e84a6aefd21fdc784c3380f083f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:ac00c63f4007696405a9329bcd02b2791"·id="r_ac00c63f4007696405a9329bcd02b2791"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#ac00c63f4007696405a9329bcd02b2791">~ComputingData_</a>·()</td></tr>89 <tr·class="memitem:ac00c63f4007696405a9329bcd02b2791"·id="r_ac00c63f4007696405a9329bcd02b2791"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#ac00c63f4007696405a9329bcd02b2791">~ComputingData_</a>·()</td></tr>
90 <tr·class="separator:ac00c63f4007696405a9329bcd02b2791"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:ac00c63f4007696405a9329bcd02b2791"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 <tr·class="separator:a465d2dd286316157df73503751e73b4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a465d2dd286316157df73503751e73b4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a3caa2f7c759853e2bcf4fdbe7763b323"·id="r_a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a3caa2f7c759853e2bcf4fdbe7763b323">bonds</a></td></tr>101 <tr·class="memitem:a3caa2f7c759853e2bcf4fdbe7763b323"·id="r_a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d5f/a06770.html#a3caa2f7c759853e2bcf4fdbe7763b323">bonds</a></td></tr>
102 <tr·class="separator:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a3caa2f7c759853e2bcf4fdbe7763b323"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>This·data·structure·contains·all·algorithm·data·which·is·generated·during·the·#start·function·and·which·can·be·shared·above·more·than·one·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·"iterator",·if·they·compute·all·the·same·molecule·with·the·same·penalty·table.·</p>105 <div·class="textblock"><p>This·data·structure·contains·all·algorithm·data·which·is·generated·during·the·#start·function·and·which·can·be·shared·above·more·than·one·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·"iterator",·if·they·compute·all·the·same·molecule·with·the·same·penalty·table.·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00650">650</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00650">650</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a08b3e84a6aefd21fdc784c3380f083f0"·name="a08b3e84a6aefd21fdc784c3380f083f0"></a>108 <a·id="a08b3e84a6aefd21fdc784c3380f083f0"·name="a08b3e84a6aefd21fdc784c3380f083f0"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a08b3e84a6aefd21fdc784c3380f083f0">&#9670;&#160;</a></span>ComputingData_()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a08b3e84a6aefd21fdc784c3380f083f0">&#9670;&#160;</a></span>ComputingData_()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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152 ········<tr>152 ········<tr>
153 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../dc/d0a/a06766.html">FPTBondOrderAssignment_</a>*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bond_assignments</td>153 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../dc/d0a/a06766.html">FPTBondOrderAssignment_</a>*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bond_assignments</td>
154 ········</tr>154 ········</tr>
155 ······</table>155 ······</table>
156 </div><div·class="memdoc">156 </div><div·class="memdoc">
157 <p>The·bond·assignments·for·each·connection·component·of·this·molecule·</p>157 <p>The·bond·assignments·for·each·connection·component·of·this·molecule·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00666">666</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00666">666</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <a·id="a3caa2f7c759853e2bcf4fdbe7763b323"·name="a3caa2f7c759853e2bcf4fdbe7763b323"></a>161 <a·id="a3caa2f7c759853e2bcf4fdbe7763b323"·name="a3caa2f7c759853e2bcf4fdbe7763b323"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a3caa2f7c759853e2bcf4fdbe7763b323">&#9670;&#160;</a></span>bonds</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a3caa2f7c759853e2bcf4fdbe7763b323">&#9670;&#160;</a></span>bonds</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
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169 ········<tr>169 ········<tr>
170 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bonds</td>170 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·const·*&gt;·BALL::FPTBondOrderStrategy::ComputingData_::bonds</td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
174 <p>a·vector·with·pointers·to·the·bonds·of·the·atom·container.·The·order·of·this·bonds·in·the·vector·is·the·same·as·the·order·of·the·bond·values·in·the·assignments.·</p>174 <p>a·vector·with·pointers·to·the·bonds·of·the·atom·container.·The·order·of·this·bonds·in·the·vector·is·the·same·as·the·order·of·the·bond·values·in·the·assignments.·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00682">682</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <a·id="a0cf163daadd68099750f3bb8ef129f0a"·name="a0cf163daadd68099750f3bb8ef129f0a"></a>178 <a·id="a0cf163daadd68099750f3bb8ef129f0a"·name="a0cf163daadd68099750f3bb8ef129f0a"></a>
179 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cf163daadd68099750f3bb8ef129f0a">&#9670;&#160;</a></span>molecule_graph</h2>179 <h2·class="memtitle"><span·class="permalink"><a·href="#a0cf163daadd68099750f3bb8ef129f0a">&#9670;&#160;</a></span>molecule_graph</h2>
  
180 <div·class="memitem">180 <div·class="memitem">
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186 ········<tr>186 ········<tr>
187 ··········<td·class="memname"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>*·BALL::FPTBondOrderStrategy::ComputingData_::molecule_graph</td>187 ··········<td·class="memname"><a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>*·BALL::FPTBondOrderStrategy::ComputingData_::molecule_graph</td>
188 ········</tr>188 ········</tr>
189 ······</table>189 ······</table>
190 </div><div·class="memdoc">190 </div><div·class="memdoc">
191 <p>the·molecule·graph·</p>191 <p>the·molecule·graph·</p>
  
192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00671">671</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>192 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00671">671</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
193 </div>193 </div>
194 </div>194 </div>
195 <a·id="a465d2dd286316157df73503751e73b4a"·name="a465d2dd286316157df73503751e73b4a"></a>195 <a·id="a465d2dd286316157df73503751e73b4a"·name="a465d2dd286316157df73503751e73b4a"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#a465d2dd286316157df73503751e73b4a">&#9670;&#160;</a></span>tw</h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#a465d2dd286316157df73503751e73b4a">&#9670;&#160;</a></span>tw</h2>
  
197 <div·class="memitem">197 <div·class="memitem">
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203 ········<tr>203 ········<tr>
204 ··········<td·class="memname">boost::shared_ptr&lt;<a·class="el"·href="../../d5/d35/a03454.html">TreeWidth</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;·&gt;·BALL::FPTBondOrderStrategy::ComputingData_::tw</td>204 ··········<td·class="memname">boost::shared_ptr&lt;<a·class="el"·href="../../d5/d35/a03454.html">TreeWidth</a>&lt;<a·class="el"·href="../../d4/d60/a03446.html">MolecularGraph</a>&gt;·&gt;·BALL::FPTBondOrderStrategy::ComputingData_::tw</td>
205 ········</tr>205 ········</tr>
206 ······</table>206 ······</table>
207 </div><div·class="memdoc">207 </div><div·class="memdoc">
208 <p>The·nice·tree·decompositions·for·each·connection·component·</p>208 <p>The·nice·tree·decompositions·for·each·connection·component·</p>
  
209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00676">676</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>209 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00676">676</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
210 </div>210 </div>
211 </div>211 </div>
212 </div><!--·contents·-->212 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d7/d23/a08155.html">List·of·all·members</a>··</div>77 <a·href="../../d7/d23/a08155.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Box·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Box·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/dc0/a00611_source.html">BALL/VIEW/PRIMITIVES/box.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a01373_source.html">BALL/VIEW/PRIMITIVES/box.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Box:</div>83 Inheritance·diagram·for·BALL::VIEW::Box:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d63/a08158.png"·usemap="#BALL::VIEW::Box_map"·alt=""/>86 ··<img·src="../../da/d63/a08158.png"·usemap="#BALL::VIEW::Box_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Box_map"·name="BALL::VIEW::Box_map">87 ··<map·id="BALL::VIEW::Box_map"·name="BALL::VIEW::Box_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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248 <tr·class="separator:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:aab5d47c3abe3cfd44eda1953c618091a·inherit·pro_attribs_a04782"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock"><p><a·class="el"·href="../../da/d63/a08158.html">Box</a>·class.·<br··/>251 <div·class="textblock"><p><a·class="el"·href="../../da/d63/a08158.html">Box</a>·class.·<br··/>
252 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·threedimensional·box.·The·class·<a·class="el"·href="../../da/d63/a08158.html">Box</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Box3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>252 ·An·instance·of·this·class·represents·an·instance·of·the·geometric·representation·of·a·threedimensional·box.·The·class·<a·class="el"·href="../../da/d63/a08158.html">Box</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Box3.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">box.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">box.h</a>.</p>
254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>254 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
255 <a·id="aad545f67f332d12e67b27a84c262fe24"·name="aad545f67f332d12e67b27a84c262fe24"></a>255 <a·id="aad545f67f332d12e67b27a84c262fe24"·name="aad545f67f332d12e67b27a84c262fe24"></a>
256 <h2·class="memtitle"><span·class="permalink"><a·href="#aad545f67f332d12e67b27a84c262fe24">&#9670;&#160;</a></span>Box()·<span·class="overload">[1/4]</span></h2>256 <h2·class="memtitle"><span·class="permalink"><a·href="#aad545f67f332d12e67b27a84c262fe24">&#9670;&#160;</a></span>Box()·<span·class="overload">[1/4]</span></h2>
  
257 <div·class="memitem">257 <div·class="memitem">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/dde/a05663.html">List·of·all·members</a>··</div>77 <a·href="../../da/dde/a05663.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Descriptor·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Descriptor·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/QSAR/descriptor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9d/a00464_source.html">BALL/QSAR/descriptor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Descriptor:</div>83 Inheritance·diagram·for·BALL::Descriptor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d64/a05666.png"·usemap="#BALL::Descriptor_map"·alt=""/>86 ··<img·src="../../da/d64/a05666.png"·usemap="#BALL::Descriptor_map"·alt=""/>
87 ··<map·id="BALL::Descriptor_map"·name="BALL::Descriptor_map">87 ··<map·id="BALL::Descriptor_map"·name="BALL::Descriptor_map">
88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>
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220 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>220 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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222 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>222 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
223 </table>223 </table>
224 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>224 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
225 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·descriptor·class.·\·</p>225 <div·class="textblock"><p>Generic·<a·class="el"·href="../../da/d3b/a02229.html">QSAR</a>·molecular·descriptor·class.·\·</p>
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dd3/a00902_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d5/dd3/a00902_source.html">descriptor.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d9d/a00464_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d9d/a00464_source.html">descriptor.h</a>.</p>
227 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>227 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
228 <a·id="a89cec3a3e88d9dbd1ba350cc9e6bf72a"·name="a89cec3a3e88d9dbd1ba350cc9e6bf72a"></a>228 <a·id="a89cec3a3e88d9dbd1ba350cc9e6bf72a"·name="a89cec3a3e88d9dbd1ba350cc9e6bf72a"></a>
229 <h2·class="memtitle"><span·class="permalink"><a·href="#a89cec3a3e88d9dbd1ba350cc9e6bf72a">&#9670;&#160;</a></span>Descriptor()·<span·class="overload">[1/4]</span></h2>229 <h2·class="memtitle"><span·class="permalink"><a·href="#a89cec3a3e88d9dbd1ba350cc9e6bf72a">&#9670;&#160;</a></span>Descriptor()·<span·class="overload">[1/4]</span></h2>
  
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">amberConfigurationDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">classificationValidation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_amberConfigurationDialog.h&gt;</code><br·/>83 <code>#include·&lt;iterator&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../da/d65/a00458_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d65/a00458_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a07518.html">BALL::VIEW::AmberConfigurationDialog</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc8/a05622.html">BALL::QSAR::ClassificationValidation</a></td></tr>
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93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
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101 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·reconstructFragmentProcessor.h·File·Reference</title>8 <title>BALL:·residueRotamerSet.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">reconstructFragmentProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">residueRotamerSet.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;list&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d7/d06/a00131_source.html">BALL/DATATYPE/triple.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d0/d11/a00842_source.html">BALL/KERNEL/fragment.h</a>&gt;</code><br·/> 
87 </div>85 </div>
88 <p><a·href="../../da/d66/a01856_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../da/d66/a01856_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">87 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d43/a07042.html">BALL::ReconstructFragmentProcessor</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d86/a07078.html">BALL::Rotamer</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/db3/a07082.html">BALL::ResidueRotamerSet</a></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_</a></td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·<a·class="el"·href="../../da/d67/a02133.html#ga18f879702c5070d54c2653d9f6e7ada5">BALL::StringHashSet</a></td>106 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>&gt;·<a·class="el"·href="../../da/d67/a02133.html#ga18f879702c5070d54c2653d9f6e7ada5">BALL::StringHashSet</a></td>
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78 ··<div·class="headertitle"><div·class="title">BALL::StructureMapper·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::StructureMapper·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../df/d0e/a02195.html">Mapping·of·molecular·structures</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::StructureMapper:</div>83 Inheritance·diagram·for·BALL::StructureMapper:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d6c/a07286.png"·usemap="#BALL::StructureMapper_map"·alt=""/>86 ··<img·src="../../da/d6c/a07286.png"·usemap="#BALL::StructureMapper_map"·alt=""/>
87 ··<map·id="BALL::StructureMapper_map"·name="BALL::StructureMapper_map">87 ··<map·id="BALL::StructureMapper_map"·name="BALL::StructureMapper_map">
88 <area·href="../../d3/d4f/a06898.html"·alt="BALL::TransformationProcessor"·shape="rect"·coords="0,112,286,136"/>88 <area·href="../../d3/d4f/a06898.html"·alt="BALL::TransformationProcessor"·shape="rect"·coords="0,112,286,136"/>
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178 <tr·class="memitem:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"·id="r_a26af89b5a2e5a67496303e6fc87cced3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4f/a06898.html#a26af89b5a2e5a67496303e6fc87cced3">transformation_</a></td></tr>178 <tr·class="memitem:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"·id="r_a26af89b5a2e5a67496303e6fc87cced3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../df/de9/a02153.html#ga1e3aae59e2c9d5008df5b58ecd7bc99a">Matrix4x4</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4f/a06898.html#a26af89b5a2e5a67496303e6fc87cced3">transformation_</a></td></tr>
179 <tr·class="separator:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>179 <tr·class="separator:a26af89b5a2e5a67496303e6fc87cced3·inherit·pro_attribs_a06898"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
180 </table>180 </table>
181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>181 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
182 <div·class="textblock"><p>Structure·mapping·class.·</p>182 <div·class="textblock"><p>Structure·mapping·class.·</p>
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">structureMapper.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="adf79978cfcb74b1b47f1094376fec3c5"·name="adf79978cfcb74b1b47f1094376fec3c5"></a>185 <a·id="adf79978cfcb74b1b47f1094376fec3c5"·name="adf79978cfcb74b1b47f1094376fec3c5"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79978cfcb74b1b47f1094376fec3c5">&#9670;&#160;</a></span>StructureMapper()·<span·class="overload">[1/2]</span></h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79978cfcb74b1b47f1094376fec3c5">&#9670;&#160;</a></span>StructureMapper()·<span·class="overload">[1/2]</span></h2>
  
187 <div·class="memitem">187 <div·class="memitem">
188 <div·class="memproto">188 <div·class="memproto">
189 ······<table·class="memname">189 ······<table·class="memname">
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406 ··<td·class="mlabels-right">406 ··<td·class="mlabels-right">
407 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>407 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
408 ··</tr>408 ··</tr>
409 </table>409 </table>
410 </div><div·class="memdoc">410 </div><div·class="memdoc">
411 <p>Return·the·current·bijection·</p>411 <p>Return·the·current·bijection·</p>
  
412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d27/a01781_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d6/d27/a01781_source.html">structureMapper.h</a>.</p>412 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00095">95</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">structureMapper.h</a>.</p>
  
413 </div>413 </div>
414 </div>414 </div>
415 <a·id="ac8cada613a24a9d6c2dff6e835cdc1e3"·name="ac8cada613a24a9d6c2dff6e835cdc1e3"></a>415 <a·id="ac8cada613a24a9d6c2dff6e835cdc1e3"·name="ac8cada613a24a9d6c2dff6e835cdc1e3"></a>
416 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8cada613a24a9d6c2dff6e835cdc1e3">&#9670;&#160;</a></span>mapFragments()</h2>416 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8cada613a24a9d6c2dff6e835cdc1e3">&#9670;&#160;</a></span>mapFragments()</h2>
  
417 <div·class="memitem">417 <div·class="memitem">
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754 ··</td>754 ··</td>
755 ··<td·class="mlabels-right">755 ··<td·class="mlabels-right">
756 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>756 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
757 ··</tr>757 ··</tr>
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759 </div><div·class="memdoc">759 </div><div·class="memdoc">
  
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761 </div>761 </div>
762 </div>762 </div>
763 <a·id="a9689a4314ed5deb23d916acfa269c08c"·name="a9689a4314ed5deb23d916acfa269c08c"></a>763 <a·id="a9689a4314ed5deb23d916acfa269c08c"·name="a9689a4314ed5deb23d916acfa269c08c"></a>
764 <h2·class="memtitle"><span·class="permalink"><a·href="#a9689a4314ed5deb23d916acfa269c08c">&#9670;&#160;</a></span>B_</h2>764 <h2·class="memtitle"><span·class="permalink"><a·href="#a9689a4314ed5deb23d916acfa269c08c">&#9670;&#160;</a></span>B_</h2>
  
765 <div·class="memitem">765 <div·class="memitem">
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778 ··</td>778 ··</td>
779 ··<td·class="mlabels-right">779 ··<td·class="mlabels-right">
780 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>780 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
781 ··</tr>781 ··</tr>
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783 </div><div·class="memdoc">783 </div><div·class="memdoc">
  
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785 </div>785 </div>
786 </div>786 </div>
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802 ··</td>802 ··</td>
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805 ··</tr>805 ··</tr>
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809 </div>809 </div>
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813 <div·class="memitem">813 <div·class="memitem">
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a00794_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PersistentObject:</div>83 Inheritance·diagram·for·BALL::PersistentObject:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d6e/a03314.png"·usemap="#BALL::PersistentObject_map"·alt=""/>86 ··<img·src="../../da/d6e/a03314.png"·usemap="#BALL::PersistentObject_map"·alt=""/>
87 ··<map·id="BALL::PersistentObject_map"·name="BALL::PersistentObject_map">87 ··<map·id="BALL::PersistentObject_map"·name="BALL::PersistentObject_map">
88 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="0,56,170,80"/>88 <area·href="../../d5/da8/a03302.html"·alt="BALL::Object"·shape="rect"·coords="0,56,170,80"/>
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182 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>182 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
183 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>183 <tr·class="separator:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
184 </table>184 </table>
185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>185 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
186 <div·class="textblock"><p>The·persistent·object.·Each·object·that·needs·persistence,·has·to·be·derived·from·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·to·define·an·interface·to·the·<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager·</a>·.·</p><dl·class="section·user"><dt></dt><dd>The·class·itself·has·no·functionality·except·for·the·<code>operator·&gt;&gt;</code>.·</dd></dl>186 <div·class="textblock"><p>The·persistent·object.·Each·object·that·needs·persistence,·has·to·be·derived·from·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·to·define·an·interface·to·the·<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager·</a>·.·</p><dl·class="section·user"><dt></dt><dd>The·class·itself·has·no·functionality·except·for·the·<code>operator·&gt;&gt;</code>.·</dd></dl>
187 <dl·class="section·user"><dt></dt><dd></dd></dl>187 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">persistentObject.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
189 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>189 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
190 <a·id="a66e051ecda65e736c24ed58a8aa5ec9c"·name="a66e051ecda65e736c24ed58a8aa5ec9c"></a>190 <a·id="a66e051ecda65e736c24ed58a8aa5ec9c"·name="a66e051ecda65e736c24ed58a8aa5ec9c"></a>
191 <h2·class="memtitle"><span·class="permalink"><a·href="#a66e051ecda65e736c24ed58a8aa5ec9c">&#9670;&#160;</a></span>PersistentObject()</h2>191 <h2·class="memtitle"><span·class="permalink"><a·href="#a66e051ecda65e736c24ed58a8aa5ec9c">&#9670;&#160;</a></span>PersistentObject()</h2>
  
192 <div·class="memitem">192 <div·class="memitem">
193 <div·class="memproto">193 <div·class="memproto">
194 <table·class="mlabels">194 <table·class="mlabels">
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208 ··<td·class="mlabels-right">208 ··<td·class="mlabels-right">
209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>209 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
210 ··</tr>210 ··</tr>
211 </table>211 </table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
213 <p>Default·constructor.·The·default·constructor·has·no·functionality.·</p>213 <p>Default·constructor.·The·default·constructor·has·no·functionality.·</p>
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">persistentObject.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <a·id="aea56d7d795c976f7d248b6aa8984f162"·name="aea56d7d795c976f7d248b6aa8984f162"></a>217 <a·id="aea56d7d795c976f7d248b6aa8984f162"·name="aea56d7d795c976f7d248b6aa8984f162"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#aea56d7d795c976f7d248b6aa8984f162">&#9670;&#160;</a></span>~PersistentObject()</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#aea56d7d795c976f7d248b6aa8984f162">&#9670;&#160;</a></span>~PersistentObject()</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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236 ··<td·class="mlabels-right">236 ··<td·class="mlabels-right">
237 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>237 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
238 ··</tr>238 ··</tr>
239 </table>239 </table>
240 </div><div·class="memdoc">240 </div><div·class="memdoc">
241 <p>Destructor.·The·destructor·has·no·functionality.·</p>241 <p>Destructor.·The·destructor·has·no·functionality.·</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">persistentObject.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 <h2·class="groupheader">Member·Function·Documentation</h2>245 <h2·class="groupheader">Member·Function·Documentation</h2>
246 <a·id="a757aba916c363e201f0d3e712e9e54a7"·name="a757aba916c363e201f0d3e712e9e54a7"></a>246 <a·id="a757aba916c363e201f0d3e712e9e54a7"·name="a757aba916c363e201f0d3e712e9e54a7"></a>
247 <h2·class="memtitle"><span·class="permalink"><a·href="#a757aba916c363e201f0d3e712e9e54a7">&#9670;&#160;</a></span>finalize()</h2>247 <h2·class="memtitle"><span·class="permalink"><a·href="#a757aba916c363e201f0d3e712e9e54a7">&#9670;&#160;</a></span>finalize()</h2>
  
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272 ····<tr><td·class="paramname"><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></td><td></td></tr>272 ····<tr><td·class="paramname"><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a></td><td></td></tr>
273 ··</table>273 ··</table>
274 ··</dd>274 ··</dd>
275 </dl>275 </dl>
  
276 <p>Reimplemented·in·<a·class="el"·href="../../df/dd2/a04486.html#a7f7f74e71c2dc31b6b599ff6e065cf67">BALL::Bond</a>.</p>276 <p>Reimplemented·in·<a·class="el"·href="../../df/dd2/a04486.html#a7f7f74e71c2dc31b6b599ff6e065cf67">BALL::Bond</a>.</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">persistentObject.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a00794_source.html#l00103">103</a>·of·file·<a·class="el"·href="../../d5/d12/a00794_source.html">persistentObject.h</a>.</p>
  
278 </div>278 </div>
279 </div>279 </div>
280 <a·id="a509858e40894334214784c6a424e2aba"·name="a509858e40894334214784c6a424e2aba"></a>280 <a·id="a509858e40894334214784c6a424e2aba"·name="a509858e40894334214784c6a424e2aba"></a>
281 <h2·class="memtitle"><span·class="permalink"><a·href="#a509858e40894334214784c6a424e2aba">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>281 <h2·class="memtitle"><span·class="permalink"><a·href="#a509858e40894334214784c6a424e2aba">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">DSN6File.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">atomOverview.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_atomOverview.h&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../da/d79/a01310_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d79/a01310_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d72/a03886.html">BALL::DSN6File</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/da9/a07530.html">BALL::VIEW::AtomOverview</a></td></tr>
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92 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">gridVisualizationDialog.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">iterator.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;BALL/VIEW/UIC/ui_gridVisualizationDialog.h&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../da/d7e/a00530_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d7e/a00530_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>88 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dbe/a07622.html">BALL::VIEW::GridVisualizationDialog</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html">BALL::CompositeIteratorTraits</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 98 Macros</h2></td></tr>
 99 <tr·class="memitem:a0290c534c8e9d608345daa2725451481"·id="r_a0290c534c8e9d608345daa2725451481"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a00530.html#a0290c534c8e9d608345daa2725451481">BALL_KERNEL_DEFINE_ITERATOR_CREATORS</a>(Type)</td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a0290c534c8e9d608345daa2725451481"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table>101 </table>
 102 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 103 <a·id="a0290c534c8e9d608345daa2725451481"·name="a0290c534c8e9d608345daa2725451481"></a>
 104 <h2·class="memtitle"><span·class="permalink"><a·href="#a0290c534c8e9d608345daa2725451481">&#9670;&#160;</a></span>BALL_KERNEL_DEFINE_ITERATOR_CREATORS</h2>
  
 105 <div·class="memitem">
 106 <div·class="memproto">
 107 ······<table·class="memname">
 108 ········<tr>
 109 ··········<td·class="memname">#define·BALL_KERNEL_DEFINE_ITERATOR_CREATORS</td>
 110 ··········<td>(</td>
 111 ··········<td·class="paramtype">&#160;</td>
 112 ··········<td·class="paramname">Type</td><td>)</td>
 113 ··········<td></td>
 114 ········</tr>
 115 ······</table>
 116 </div><div·class="memdoc">
 117 <p>A·macro·defining·kernel·iterators.·This·macro·allows·th·definition·of·arbitrary·bidirectional·iterators·for·kernel·container·classes.·Multiple·iterator·definition·macros·can·be·included·at·the·same·time,·thus·enabling·the·iteration·over·different·types·of·kernel·objects.·Each·macro·defines·beginX()/endX()·(const·and·mutable)·and·rendX()/rbeginX()·where·X·is·the·type·of·item·to·iterate·over.·</p>
  
 118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d7e/a00530_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../da/d7e/a00530_source.html">iterator.h</a>.</p>
  
 119 </div>
 120 </div>
101 </div><!--·contents·-->121 </div><!--·contents·-->
102 <!--·start·footer·part·-->122 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>123 <hr·class="footer"/><address·class="footer"><small>
104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/df2/a05555.html">List·of·all·members</a>··</div>77 <a·href="../../dd/df2/a05555.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PyColorRGBAVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PyColorRGBAVector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d5/d63/a02123.html">Python</a>·&raquo;·<a·class="el"·href="../../d5/ddd/a02184.html">Python·extensions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d1/de4/a01481_source.html">BALL/PYTHON/EXTENSIONS/pyColorRGBAVector.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/d95/a00299_source.html">BALL/PYTHON/EXTENSIONS/pyColorRGBAVector.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PyColorRGBAVector:</div>83 Inheritance·diagram·for·BALL::PyColorRGBAVector:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d7e/a05558.png"·alt=""/>86 ··<img·src="../../da/d7e/a05558.png"·alt=""/>
87 ·</div></div>87 ·</div></div>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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113 <tr·class="memitem:a43f81cf09910a62c6ca559d11c514167"·id="r_a43f81cf09910a62c6ca559d11c514167"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a05558.html#a43f81cf09910a62c6ca559d11c514167">~PyColorRGBAVector</a>·()··throw·()</td></tr>113 <tr·class="memitem:a43f81cf09910a62c6ca559d11c514167"·id="r_a43f81cf09910a62c6ca559d11c514167"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d7e/a05558.html#a43f81cf09910a62c6ca559d11c514167">~PyColorRGBAVector</a>·()··throw·()</td></tr>
114 <tr·class="memdesc:a43f81cf09910a62c6ca559d11c514167"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>114 <tr·class="memdesc:a43f81cf09910a62c6ca559d11c514167"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Destructor.··<br·/></td></tr>
115 <tr·class="separator:a43f81cf09910a62c6ca559d11c514167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a43f81cf09910a62c6ca559d11c514167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
116 </table>116 </table>
117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock"><p>Equivalent·for·a·STL::vector·of·ColorRGBA·in·Python·</p>118 <div·class="textblock"><p>Equivalent·for·a·STL::vector·of·ColorRGBA·in·Python·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/de4/a01481_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/de4/a01481_source.html">pyColorRGBAVector.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
120 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>120 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
121 <a·id="aa23878d92d03d8b3256ea84bf19dfcad"·name="aa23878d92d03d8b3256ea84bf19dfcad"></a>121 <a·id="aa23878d92d03d8b3256ea84bf19dfcad"·name="aa23878d92d03d8b3256ea84bf19dfcad"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#aa23878d92d03d8b3256ea84bf19dfcad">&#9670;&#160;</a></span>ConstIterator</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#aa23878d92d03d8b3256ea84bf19dfcad">&#9670;&#160;</a></span>ConstIterator</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
125 ······<table·class="memname">125 ······<table·class="memname">
126 ········<tr>126 ········<tr>
127 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::const_iterator·<a·class="el"·href="../../da/d7e/a05558.html#aa23878d92d03d8b3256ea84bf19dfcad">BALL::PyColorRGBAVector::ConstIterator</a></td>127 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::const_iterator·<a·class="el"·href="../../da/d7e/a05558.html#aa23878d92d03d8b3256ea84bf19dfcad">BALL::PyColorRGBAVector::ConstIterator</a></td>
128 ········</tr>128 ········</tr>
129 ······</table>129 ······</table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
131 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>131 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·iterator·type.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/de4/a01481_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d1/de4/a01481_source.html">pyColorRGBAVector.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <a·id="afd1a23ce62e04d2e91ee01057ff947d1"·name="afd1a23ce62e04d2e91ee01057ff947d1"></a>135 <a·id="afd1a23ce62e04d2e91ee01057ff947d1"·name="afd1a23ce62e04d2e91ee01057ff947d1"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#afd1a23ce62e04d2e91ee01057ff947d1">&#9670;&#160;</a></span>Iterator</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#afd1a23ce62e04d2e91ee01057ff947d1">&#9670;&#160;</a></span>Iterator</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
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146 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::iterator·<a·class="el"·href="../../da/d7e/a05558.html#afd1a23ce62e04d2e91ee01057ff947d1">BALL::PyColorRGBAVector::Iterator</a></td>146 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>&gt;::iterator·<a·class="el"·href="../../da/d7e/a05558.html#afd1a23ce62e04d2e91ee01057ff947d1">BALL::PyColorRGBAVector::Iterator</a></td>
147 ········</tr>147 ········</tr>
148 ······</table>148 ······</table>
149 </div><div·class="memdoc">149 </div><div·class="memdoc">
150 <p>Iterator·type.·</p>150 <p>Iterator·type.·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/de4/a01481_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d1/de4/a01481_source.html">pyColorRGBAVector.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <a·id="a0928f678ac4895c9ae168583e7b76c19"·name="a0928f678ac4895c9ae168583e7b76c19"></a>154 <a·id="a0928f678ac4895c9ae168583e7b76c19"·name="a0928f678ac4895c9ae168583e7b76c19"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#a0928f678ac4895c9ae168583e7b76c19">&#9670;&#160;</a></span>PointerType</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#a0928f678ac4895c9ae168583e7b76c19">&#9670;&#160;</a></span>PointerType</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
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163 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>*·<a·class="el"·href="../../da/d7e/a05558.html#a0928f678ac4895c9ae168583e7b76c19">BALL::PyColorRGBAVector::PointerType</a></td>163 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>*·<a·class="el"·href="../../da/d7e/a05558.html#a0928f678ac4895c9ae168583e7b76c19">BALL::PyColorRGBAVector::PointerType</a></td>
164 ········</tr>164 ········</tr>
165 ······</table>165 ······</table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
167 <p>Pointer·type·</p>167 <p>Pointer·type·</p>
  
168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/de4/a01481_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d1/de4/a01481_source.html">pyColorRGBAVector.h</a>.</p>168 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
169 </div>169 </div>
170 </div>170 </div>
171 <a·id="a12b200b9a8b1841fe06a5ebf02ff7f12"·name="a12b200b9a8b1841fe06a5ebf02ff7f12"></a>171 <a·id="a12b200b9a8b1841fe06a5ebf02ff7f12"·name="a12b200b9a8b1841fe06a5ebf02ff7f12"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#a12b200b9a8b1841fe06a5ebf02ff7f12">&#9670;&#160;</a></span>ValueType</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#a12b200b9a8b1841fe06a5ebf02ff7f12">&#9670;&#160;</a></span>ValueType</h2>
  
173 <div·class="memitem">173 <div·class="memitem">
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180 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>·<a·class="el"·href="../../da/d7e/a05558.html#a12b200b9a8b1841fe06a5ebf02ff7f12">BALL::PyColorRGBAVector::ValueType</a></td>180 ··········<td·class="memname">typedef·<a·class="el"·href="../../d4/d36/a07462.html">VIEW::ColorRGBA</a>·<a·class="el"·href="../../da/d7e/a05558.html#a12b200b9a8b1841fe06a5ebf02ff7f12">BALL::PyColorRGBAVector::ValueType</a></td>
181 ········</tr>181 ········</tr>
182 ······</table>182 ······</table>
183 </div><div·class="memdoc">183 </div><div·class="memdoc">
184 <p>ColorRGBA·type·</p>184 <p>ColorRGBA·type·</p>
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/de4/a01481_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/de4/a01481_source.html">pyColorRGBAVector.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d95/a00299_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/d95/a00299_source.html">pyColorRGBAVector.h</a>.</p>
  
186 </div>186 </div>
187 </div>187 </div>
188 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="aff237055309b4f22dc267eabe1023004"·name="aff237055309b4f22dc267eabe1023004"></a>189 <a·id="aff237055309b4f22dc267eabe1023004"·name="aff237055309b4f22dc267eabe1023004"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#aff237055309b4f22dc267eabe1023004">&#9670;&#160;</a></span>PyColorRGBAVector()·<span·class="overload">[1/3]</span></h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#aff237055309b4f22dc267eabe1023004">&#9670;&#160;</a></span>PyColorRGBAVector()·<span·class="overload">[1/3]</span></h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/dd8/a03755.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dd8/a03755.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QuaternionGene·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QuaternionGene·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/DOCKING/GENETICDOCK/genes.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QuaternionGene:</div>84 Inheritance·diagram·for·BALL::QuaternionGene:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/d85/a03758.png"·usemap="#BALL::QuaternionGene_map"·alt=""/>87 ··<img·src="../../da/d85/a03758.png"·usemap="#BALL::QuaternionGene_map"·alt=""/>
88 ··<map·id="BALL::QuaternionGene_map"·name="BALL::QuaternionGene_map">88 ··<map·id="BALL::QuaternionGene_map"·name="BALL::QuaternionGene_map">
89 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,142,24"/>89 <area·href="../../d2/d17/a03750.html"·alt="BALL::GenericGene"·shape="rect"·coords="0,0,142,24"/>
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120 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:af848aae5e57d30904a96e9f30b011a17·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>121 <tr·class="memitem:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"·id="r_aa17a5330120d334c94c07edf7a647d90"><td·class="memItemLeft"·align="right"·valign="top">int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d17/a03750.html#aa17a5330120d334c94c07edf7a647d90">randomGenePosition</a>·(int·from,·int·to)</td></tr>
122 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:aa17a5330120d334c94c07edf7a647d90·inherit·pro_methods_a03750"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock"><p>gene·with·one·quaternion·value·</p>125 <div·class="textblock"><p>gene·with·one·quaternion·value·</p>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">genes.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">genes.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="a0680d822a01a036ed20cd0d06eb0a6c1"·name="a0680d822a01a036ed20cd0d06eb0a6c1"></a>128 <a·id="a0680d822a01a036ed20cd0d06eb0a6c1"·name="a0680d822a01a036ed20cd0d06eb0a6c1"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a0680d822a01a036ed20cd0d06eb0a6c1">&#9670;&#160;</a></span>QuaternionGene()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a0680d822a01a036ed20cd0d06eb0a6c1">&#9670;&#160;</a></span>QuaternionGene()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d2/d77/a04939.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d77/a04939.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AmberNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AmberNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d2c/a01553_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/MOLMEC/AMBER/amberNonBonded.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AmberNonBonded:</div>84 Inheritance·diagram·for·BALL::AmberNonBonded:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/d88/a04942.png"·usemap="#BALL::AmberNonBonded_map"·alt=""/>87 ··<img·src="../../da/d88/a04942.png"·usemap="#BALL::AmberNonBonded_map"·alt=""/>
88 ··<map·id="BALL::AmberNonBonded_map"·name="BALL::AmberNonBonded_map">88 ··<map·id="BALL::AmberNonBonded_map"·name="BALL::AmberNonBonded_map">
89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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254 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>254 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
255 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>255 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
256 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>256 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
257 </table>257 </table>
258 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>258 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
259 <div·class="textblock"><p>Amber·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>259 <div·class="textblock"><p>Amber·NonBonded·(VdW·+·<a·class="el"·href="../../d1/d66/a06266.html">Electrostatic</a>)·component·</p>
  
260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">amberNonBonded.h</a>.</p>260 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
261 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>261 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
262 <a·id="a83f85cecffb8cce7c9922839c79c6e7f"·name="a83f85cecffb8cce7c9922839c79c6e7f"></a>262 <a·id="a83f85cecffb8cce7c9922839c79c6e7f"·name="a83f85cecffb8cce7c9922839c79c6e7f"></a>
263 <h2·class="memtitle"><span·class="permalink"><a·href="#a83f85cecffb8cce7c9922839c79c6e7f">&#9670;&#160;</a></span>AmberNonBonded()·<span·class="overload">[1/3]</span></h2>263 <h2·class="memtitle"><span·class="permalink"><a·href="#a83f85cecffb8cce7c9922839c79c6e7f">&#9670;&#160;</a></span>AmberNonBonded()·<span·class="overload">[1/3]</span></h2>
  
264 <div·class="memitem">264 <div·class="memitem">
265 <div·class="memproto">265 <div·class="memproto">
266 ······<table·class="memname">266 ······<table·class="memname">
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768 ··</td>768 ··</td>
769 ··<td·class="mlabels-right">769 ··<td·class="mlabels-right">
770 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>770 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
771 ··</tr>771 ··</tr>
772 </table>772 </table>
773 </div><div·class="memdoc">773 </div><div·class="memdoc">
  
774 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">amberNonBonded.h</a>.</p>774 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00186">186</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
775 </div>775 </div>
776 </div>776 </div>
777 <a·id="a5034bf12215c67399a7073315c2960b3"·name="a5034bf12215c67399a7073315c2960b3"></a>777 <a·id="a5034bf12215c67399a7073315c2960b3"·name="a5034bf12215c67399a7073315c2960b3"></a>
778 <h2·class="memtitle"><span·class="permalink"><a·href="#a5034bf12215c67399a7073315c2960b3">&#9670;&#160;</a></span>ELECTROSTATIC_FACTOR</h2>778 <h2·class="memtitle"><span·class="permalink"><a·href="#a5034bf12215c67399a7073315c2960b3">&#9670;&#160;</a></span>ELECTROSTATIC_FACTOR</h2>
  
779 <div·class="memitem">779 <div·class="memitem">
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792 ··</td>792 ··</td>
793 ··<td·class="mlabels-right">793 ··<td·class="mlabels-right">
794 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>794 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
795 ··</tr>795 ··</tr>
796 </table>796 </table>
797 </div><div·class="memdoc">797 </div><div·class="memdoc">
  
798 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">amberNonBonded.h</a>.</p>798 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
799 </div>799 </div>
800 </div>800 </div>
801 <a·id="aa59de421b11773253295610dd16e7d1a"·name="aa59de421b11773253295610dd16e7d1a"></a>801 <a·id="aa59de421b11773253295610dd16e7d1a"·name="aa59de421b11773253295610dd16e7d1a"></a>
802 <h2·class="memtitle"><span·class="permalink"><a·href="#aa59de421b11773253295610dd16e7d1a">&#9670;&#160;</a></span>vdw_energy_</h2>802 <h2·class="memtitle"><span·class="permalink"><a·href="#aa59de421b11773253295610dd16e7d1a">&#9670;&#160;</a></span>vdw_energy_</h2>
  
803 <div·class="memitem">803 <div·class="memitem">
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816 ··</td>816 ··</td>
817 ··<td·class="mlabels-right">817 ··<td·class="mlabels-right">
818 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>818 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
819 ··</tr>819 ··</tr>
820 </table>820 </table>
821 </div><div·class="memdoc">821 </div><div·class="memdoc">
  
822 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">amberNonBonded.h</a>.</p>822 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
823 </div>823 </div>
824 </div>824 </div>
825 </div><!--·contents·-->825 </div><!--·contents·-->
826 <!--·start·footer·part·-->826 <!--·start·footer·part·-->
827 <hr·class="footer"/><address·class="footer"><small>827 <hr·class="footer"/><address·class="footer"><small>
828 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8828 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d2c/a06363.html">List·of·all·members</a>··</div>78 <a·href="../../db/d2c/a06363.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VanDerWaals·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VanDerWaals·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d2c/a02012_source.html">BALL/SCORING/COMPONENTS/vanDerWaals.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a02039_source.html">BALL/SCORING/COMPONENTS/vanDerWaals.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VanDerWaals:</div>84 Inheritance·diagram·for·BALL::VanDerWaals:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/d89/a06366.png"·usemap="#BALL::VanDerWaals_map"·alt=""/>87 ··<img·src="../../da/d89/a06366.png"·usemap="#BALL::VanDerWaals_map"·alt=""/>
88 ··<map·id="BALL::VanDerWaals_map"·name="BALL::VanDerWaals_map">88 ··<map·id="BALL::VanDerWaals_map"·name="BALL::VanDerWaals_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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186 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>186 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
187 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>187 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
188 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>188 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
189 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>189 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
190 </table>190 </table>
191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>191 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
192 <div·class="textblock">192 <div·class="textblock">
193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d2c/a02012_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d5/d2c/a02012_source.html">vanDerWaals.h</a>.</p>193 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a02039_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d4/d9b/a02039_source.html">vanDerWaals.h</a>.</p>
194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>194 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
195 <a·id="a036ad6a47df1c489eecdba88ccac3553"·name="a036ad6a47df1c489eecdba88ccac3553"></a>195 <a·id="a036ad6a47df1c489eecdba88ccac3553"·name="a036ad6a47df1c489eecdba88ccac3553"></a>
196 <h2·class="memtitle"><span·class="permalink"><a·href="#a036ad6a47df1c489eecdba88ccac3553">&#9670;&#160;</a></span>VanDerWaals()·<span·class="overload">[1/2]</span></h2>196 <h2·class="memtitle"><span·class="permalink"><a·href="#a036ad6a47df1c489eecdba88ccac3553">&#9670;&#160;</a></span>VanDerWaals()·<span·class="overload">[1/2]</span></h2>
  
197 <div·class="memitem">197 <div·class="memitem">
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199 ······<table·class="memname">199 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d7/dae/a08567.html">List·of·all·members</a>··</div>79 <a·href="../../d7/dae/a08567.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget::LineNumbers·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TextEditorWidget::LineNumbers·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/de0/a00317_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/d09/a01118_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget::LineNumbers:</div>85 Inheritance·diagram·for·BALL::VIEW::TextEditorWidget::LineNumbers:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../da/d8a/a08570.png"·usemap="#BALL::VIEW::TextEditorWidget::LineNumbers_map"·alt=""/>88 ··<img·src="../../da/d8a/a08570.png"·usemap="#BALL::VIEW::TextEditorWidget::LineNumbers_map"·alt=""/>
89 ··<map·id="BALL::VIEW::TextEditorWidget::LineNumbers_map"·name="BALL::VIEW::TextEditorWidget::LineNumbers_map">89 ··<map·id="BALL::VIEW::TextEditorWidget::LineNumbers_map"·name="BALL::VIEW::TextEditorWidget::LineNumbers_map">
90 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,260,24"/>90 <area·href="../../d8/da5/a20078.html"·alt="QWidget"·shape="rect"·coords="0,0,260,24"/>
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102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-methods"·name="pro-methods"></a>
103 Protected·Member·Functions</h2></td></tr>103 Protected·Member·Functions</h2></td></tr>
104 <tr·class="memitem:a224092ced4e2e1ea2cf058411d3a3b47"·id="r_a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html#a224092ced4e2e1ea2cf058411d3a3b47">paintEvent</a>·(QPaintEvent·*event)</td></tr>104 <tr·class="memitem:a224092ced4e2e1ea2cf058411d3a3b47"·id="r_a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html#a224092ced4e2e1ea2cf058411d3a3b47">paintEvent</a>·(QPaintEvent·*event)</td></tr>
105 <tr·class="separator:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a224092ced4e2e1ea2cf058411d3a3b47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock">108 <div·class="textblock">
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/de0/a00317_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../da/de0/a00317_source.html">textEditorWidget.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d09/a01118_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d09/a01118_source.html">textEditorWidget.h</a>.</p>
110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>110 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
111 <a·id="a81835c2b485f70e34cf517c12b245fd8"·name="a81835c2b485f70e34cf517c12b245fd8"></a>111 <a·id="a81835c2b485f70e34cf517c12b245fd8"·name="a81835c2b485f70e34cf517c12b245fd8"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a81835c2b485f70e34cf517c12b245fd8">&#9670;&#160;</a></span>LineNumbers()</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a81835c2b485f70e34cf517c12b245fd8">&#9670;&#160;</a></span>LineNumbers()</h2>
  
113 <div·class="memitem">113 <div·class="memitem">
114 <div·class="memproto">114 <div·class="memproto">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·fragmentDB.h·File·Reference</title>8 <title>BALL:·RSFace.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">fragmentDB.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">RSFace.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../da/d66/a01856_source.html">BALL/STRUCTURE/reconstructFragmentProcessor.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;vector&gt;</code><br·/> 
88 <code>#include·&lt;list&gt;</code><br·/> 
89 </div>84 </div>
90 <p><a·href="../../da/d8b/a01871_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/d8b/a01871_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">86 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>88 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d89/a06862.html">BALL::FragmentDB</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d43/a07122.html">BALL::RSFace</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d03/a06866.html">BALL::FragmentDB::NoFragmentNode</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html">BALL::FragmentDB::NormalizeNamesProcessor</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dfe/a06874.html">BALL::FragmentDB::BuildBondsProcessor</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d27/a06878.html">BALL::FragmentDB::BuildBondsProcessor::Connection</a></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
106 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
107 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 98 Functions</h2></td></tr>
 99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 100 <tr·class="memitem:gaed695096cd98f223e7d3f57026097887"·id="r_gaed695096cd98f223e7d3f57026097887"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaed695096cd98f223e7d3f57026097887">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d6/d43/a07122.html">RSFace</a>·&amp;rsface)</td></tr>
 101 <tr·class="separator:gaed695096cd98f223e7d3f57026097887"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>102 </table>
110 </div><!--·contents·-->103 </div><!--·contents·-->
111 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
112 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
113 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
114 </small></address>107 </small></address>
115 </body>108 </body>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/d9b/a03155.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d9b/a03155.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::CUDAError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::CUDAError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::CUDAError:</div>84 Inheritance·diagram·for·BALL::Exception::CUDAError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/d8d/a03158.png"·usemap="#BALL::Exception::CUDAError_map"·alt=""/>87 ··<img·src="../../da/d8d/a03158.png"·usemap="#BALL::Exception::CUDAError_map"·alt=""/>
88 ··<map·id="BALL::Exception::CUDAError_map"·name="BALL::Exception::CUDAError_map">88 ··<map·id="BALL::Exception::CUDAError_map"·name="BALL::Exception::CUDAError_map">
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140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>CUDA·Error·CUDA·or·any·of·its·calls·caused·an·error·</p>143 <div·class="textblock"><p>CUDA·Error·CUDA·or·any·of·its·calls·caused·an·error·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a97e91c3d3c2c3c39b3544c8853c860eb"·name="a97e91c3d3c2c3c39b3544c8853c860eb"></a>146 <a·id="a97e91c3d3c2c3c39b3544c8853c860eb"·name="a97e91c3d3c2c3c39b3544c8853c860eb"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a97e91c3d3c2c3c39b3544c8853c860eb">&#9670;&#160;</a></span>CUDAError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a97e91c3d3c2c3c39b3544c8853c860eb">&#9670;&#160;</a></span>CUDAError()</h2>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d86/a07971.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d86/a07971.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Stage::RaytracingMaterial·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Stage::RaytracingMaterial·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d41/a01037_source.html">BALL/VIEW/KERNEL/stage.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Stage::RaytracingMaterial:</div>83 Inheritance·diagram·for·BALL::VIEW::Stage::RaytracingMaterial:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/d90/a07974.png"·usemap="#BALL::VIEW::Stage::RaytracingMaterial_map"·alt=""/>86 ··<img·src="../../da/d90/a07974.png"·usemap="#BALL::VIEW::Stage::RaytracingMaterial_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Stage::RaytracingMaterial_map"·name="BALL::VIEW::Stage::RaytracingMaterial_map">87 ··<map·id="BALL::VIEW::Stage::RaytracingMaterial_map"·name="BALL::VIEW::Stage::RaytracingMaterial_map">
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190 <tr·class="memitem:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"·id="r_a8270b7deb227a22296f0b2f6b3e3ee5e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a8270b7deb227a22296f0b2f6b3e3ee5e">AutoDeletable</a>·()</td></tr>190 <tr·class="memitem:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"·id="r_a8270b7deb227a22296f0b2f6b3e3ee5e"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a8270b7deb227a22296f0b2f6b3e3ee5e">AutoDeletable</a>·()</td></tr>
191 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>191 <tr·class="separator:a8270b7deb227a22296f0b2f6b3e3ee5e·inherit·pro_methods_a03206"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
192 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>192 <tr·class="memitem:a345d52e6c41aed91ec149e74a63e22bc·inherit·pro_methods_a03206"·id="r_a345d52e6c41aed91ec149e74a63e22bc"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html#a345d52e6c41aed91ec149e74a63e22bc">AutoDeletable</a>·(const·<a·class="el"·href="../../d9/d4f/a03206.html">AutoDeletable</a>·&amp;auto_deletable,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·deep=false)</td></tr>
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194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock">196 <div·class="textblock">
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00285">285</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">stage.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d41/a01037_source.html#l00285">285</a>·of·file·<a·class="el"·href="../../d2/d41/a01037_source.html">stage.h</a>.</p>
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199 <!--·start·footer·part·-->199 <!--·start·footer·part·-->
200 <hr·class="footer"/><address·class="footer"><small>200 <hr·class="footer"/><address·class="footer"><small>
201 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8201 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
202 </small></address>202 </small></address>
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8 <title>BALL:·atomContainer.h·File·Reference</title>8 <title>BALL:·autoDeletable.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">atomContainer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">autoDeletable.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/KERNEL/atomIterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d6e/a00833_source.html">BALL/KERNEL/atomContainerIterator.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d4d/a00620_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;cstdlib&gt;</code><br·/>
 85 <code>#include·&lt;new&gt;</code><br·/>
 86 <code>#include·&lt;iostream&gt;</code><br·/>
 87 <code>#include·&lt;BALL/CONCEPT/autoDeletable.iC&gt;</code><br·/>
84 </div>88 </div>
85 <p><a·href="../../da/d96/a00782_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../da/d96/a00782_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">90 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>92 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d50/a04474.html">BALL::AtomContainer</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d4f/a03206.html">BALL::AutoDeletable</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
99 <tr·class="memitem:a76defd4d7dbbe22f2733ef48068ee7b1"·id="r_a76defd4d7dbbe22f2733ef48068ee7b1"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d96/a00782.html#a76defd4d7dbbe22f2733ef48068ee7b1">BALL_ATOMCONTAINER_DEFAULT_NAME</a>&#160;&#160;&#160;&quot;&quot;</td></tr> 
100 <tr·class="separator:a76defd4d7dbbe22f2733ef48068ee7b1"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>100 </table>
102 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
103 <a·id="a76defd4d7dbbe22f2733ef48068ee7b1"·name="a76defd4d7dbbe22f2733ef48068ee7b1"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a76defd4d7dbbe22f2733ef48068ee7b1">&#9670;&#160;</a></span>BALL_ATOMCONTAINER_DEFAULT_NAME</h2> 
  
105 <div·class="memitem"> 
106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">#define·BALL_ATOMCONTAINER_DEFAULT_NAME&#160;&#160;&#160;&quot;&quot;</td> 
110 ········</tr> 
111 ······</table> 
112 </div><div·class="memdoc"> 
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d96/a00782_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../da/d96/a00782_source.html">atomContainer.h</a>.</p> 
  
114 </div> 
115 </div> 
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118 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../da/dd1/a08287.html">List·of·all·members</a>··</div>78 <a·href="../../da/dd1/a08287.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;::conv·Union·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·RTpieCpp::MeshHandle·&gt;::conv·Union·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d5d/a00278_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d8b/a01469_source.html">BALL/VIEW/RENDERING/RENDERERS/rtfactRenderer.h</a>&gt;</code></p>
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129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ShiftedLVMMMinimizer::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d22/a01514_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd0/a00191_source.html">BALL/MOLMEC/MINIMIZATION/shiftedLVMM.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
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87 <tr·class="separator:ae10defb8702ae55e26e641722dd8539c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae10defb8702ae55e26e641722dd8539c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:a368231238b16fa9762330eb85d038f98"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a368231238b16fa9762330eb85d038f98"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="separator:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ae720ad602d148fb3e9c0d171efa04d56"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">ShiftedLVMMMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>94 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d8/d35/a05178.html#a96b309d96054f91c2ee6b631ae9dacb7">ShiftedLVMMMinimizer::options</a>.·</p><dl·class="section·user"><dt></dt><dd>For·each·symbol·the·required·type·is·given·under·parameters.·</dd></dl>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a368231238b16fa9762330eb85d038f98"·name="a368231238b16fa9762330eb85d038f98"></a>97 <a·id="a368231238b16fa9762330eb85d038f98"·name="a368231238b16fa9762330eb85d038f98"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a368231238b16fa9762330eb85d038f98">&#9670;&#160;</a></span>CORRECTION_PARAMETER</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a368231238b16fa9762330eb85d038f98">&#9670;&#160;</a></span>CORRECTION_PARAMETER</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>114 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
115 ··</tr>115 ··</tr>
116 </table>116 </table>
117 </div><div·class="memdoc">117 </div><div·class="memdoc">
118 <p>Which·correction·parameter·should·be·used?·</p>118 <p>Which·correction·parameter·should·be·used?·</p>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="ae720ad602d148fb3e9c0d171efa04d56"·name="ae720ad602d148fb3e9c0d171efa04d56"></a>122 <a·id="ae720ad602d148fb3e9c0d171efa04d56"·name="ae720ad602d148fb3e9c0d171efa04d56"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae720ad602d148fb3e9c0d171efa04d56">&#9670;&#160;</a></span>NUM_OF_COLUMNS</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#ae720ad602d148fb3e9c0d171efa04d56">&#9670;&#160;</a></span>NUM_OF_COLUMNS</h2>
  
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140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·</p>143 <p>The·number·of·columns·of·the·factor·of·the·shifted·inverse·hessian·approximation.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 <a·id="ae10defb8702ae55e26e641722dd8539c"·name="ae10defb8702ae55e26e641722dd8539c"></a>147 <a·id="ae10defb8702ae55e26e641722dd8539c"·name="ae10defb8702ae55e26e641722dd8539c"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae10defb8702ae55e26e641722dd8539c">&#9670;&#160;</a></span>UPDATE_METHOD</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae10defb8702ae55e26e641722dd8539c">&#9670;&#160;</a></span>UPDATE_METHOD</h2>
  
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165 ··</tr>165 ··</tr>
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167 </div><div·class="memdoc">167 </div><div·class="memdoc">
168 <p>Which·update·method·should·be·used?·</p>168 <p>Which·update·method·should·be·used?·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d22/a01514_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d7/d22/a01514_source.html">shiftedLVMM.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd0/a00191_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/dd0/a00191_source.html">shiftedLVMM.h</a>.</p>
  
170 </div>170 </div>
171 </div>171 </div>
172 </div><!--·contents·-->172 </div><!--·contents·-->
173 <!--·start·footer·part·-->173 <!--·start·footer·part·-->
174 <hr·class="footer"/><address·class="footer"><small>174 <hr·class="footer"/><address·class="footer"><small>
175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d91/a03715.html">List·of·all·members</a>··</div>78 <a·href="../../da/d91/a03715.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SideChainOptimizer·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SideChainOptimizer·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a01130_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/daa/a01577_source.html">BALL/DOCKING/COMMON/sideChainOptimizer.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a97427bb5d132c0eb997c57ef5cf5c5e5"·id="r_a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a97427bb5d132c0eb997c57ef5cf5c5e5">SideChainOptimizer</a>·(<a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*sf)</td></tr>86 <tr·class="memitem:a97427bb5d132c0eb997c57ef5cf5c5e5"·id="r_a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a97427bb5d132c0eb997c57ef5cf5c5e5">SideChainOptimizer</a>·(<a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*sf)</td></tr>
87 <tr·class="separator:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a97427bb5d132c0eb997c57ef5cf5c5e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:acc98fc99a4694c22e7474ce35f00d3f8"·id="r_acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#acc98fc99a4694c22e7474ce35f00d3f8">~SideChainOptimizer</a>·()</td></tr>88 <tr·class="memitem:acc98fc99a4694c22e7474ce35f00d3f8"·id="r_acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#acc98fc99a4694c22e7474ce35f00d3f8">~SideChainOptimizer</a>·()</td></tr>
89 <tr·class="separator:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:acc98fc99a4694c22e7474ce35f00d3f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="memitem:a5c207a782218d666f9493f2987e5637b"·id="r_a5c207a782218d666f9493f2987e5637b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a5c207a782218d666f9493f2987e5637b">optimize</a>·()</td></tr>93 <tr·class="memitem:a5c207a782218d666f9493f2987e5637b"·id="r_a5c207a782218d666f9493f2987e5637b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a5c207a782218d666f9493f2987e5637b">optimize</a>·()</td></tr>
94 <tr·class="separator:a5c207a782218d666f9493f2987e5637b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:a5c207a782218d666f9493f2987e5637b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:a03169844cd5a03ea9b13e69cbf1a6d5f"·id="r_a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a03169844cd5a03ea9b13e69cbf1a6d5f">findFlexibleSideChains</a>·(std::set&lt;·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·*·&gt;·&amp;<a·class="el"·href="../../da/da2/a02217.html#ab7ead65ca6a9cfc6e1248b3b5133a1af">residues</a>,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;dist_cutoff,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;min_B_factor)</td></tr>95 <tr·class="memitem:a03169844cd5a03ea9b13e69cbf1a6d5f"·id="r_a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/daf/a03718.html#a03169844cd5a03ea9b13e69cbf1a6d5f">findFlexibleSideChains</a>·(std::set&lt;·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·*·&gt;·&amp;<a·class="el"·href="../../da/da2/a02217.html#ab7ead65ca6a9cfc6e1248b3b5133a1af">residues</a>,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;dist_cutoff,·const·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;min_B_factor)</td></tr>
96 <tr·class="separator:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a03169844cd5a03ea9b13e69cbf1a6d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>97 </table>
98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock">99 <div·class="textblock">
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a01130_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d0/d61/a01130_source.html">sideChainOptimizer.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/daa/a01577_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/daa/a01577_source.html">sideChainOptimizer.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a97427bb5d132c0eb997c57ef5cf5c5e5"·name="a97427bb5d132c0eb997c57ef5cf5c5e5"></a>102 <a·id="a97427bb5d132c0eb997c57ef5cf5c5e5"·name="a97427bb5d132c0eb997c57ef5cf5c5e5"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a97427bb5d132c0eb997c57ef5cf5c5e5">&#9670;&#160;</a></span>SideChainOptimizer()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a97427bb5d132c0eb997c57ef5cf5c5e5">&#9670;&#160;</a></span>SideChainOptimizer()</h2>
  
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d2/dc7/a04303.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dc7/a04303.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE2·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordSCALE2·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a41bcaa431e5f82f3438b06f032b1eb7e"·id="r_a41bcaa431e5f82f3438b06f032b1eb7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#a41bcaa431e5f82f3438b06f032b1eb7e">record_type</a></td></tr>86 <tr·class="memitem:a41bcaa431e5f82f3438b06f032b1eb7e"·id="r_a41bcaa431e5f82f3438b06f032b1eb7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#a41bcaa431e5f82f3438b06f032b1eb7e">record_type</a></td></tr>
87 <tr·class="separator:a41bcaa431e5f82f3438b06f032b1eb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a41bcaa431e5f82f3438b06f032b1eb7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a18ff8acfb48b704c510375ec398dff0b"·id="r_a18ff8acfb48b704c510375ec398dff0b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#a18ff8acfb48b704c510375ec398dff0b">record_name</a></td></tr>88 <tr·class="memitem:a18ff8acfb48b704c510375ec398dff0b"·id="r_a18ff8acfb48b704c510375ec398dff0b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#a18ff8acfb48b704c510375ec398dff0b">record_name</a></td></tr>
89 <tr·class="separator:a18ff8acfb48b704c510375ec398dff0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a18ff8acfb48b704c510375ec398dff0b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ac72ebe706b1b43499d1b6c4398aa73c9"·id="r_ac72ebe706b1b43499d1b6c4398aa73c9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#ac72ebe706b1b43499d1b6c4398aa73c9">transformation_matrix</a>·[4]</td></tr>90 <tr·class="memitem:ac72ebe706b1b43499d1b6c4398aa73c9"·id="r_ac72ebe706b1b43499d1b6c4398aa73c9"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/db5/a04306.html#ac72ebe706b1b43499d1b6c4398aa73c9">transformation_matrix</a>·[4]</td></tr>
91 <tr·class="separator:ac72ebe706b1b43499d1b6c4398aa73c9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ac72ebe706b1b43499d1b6c4398aa73c9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00940">940</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00940">940</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a18ff8acfb48b704c510375ec398dff0b"·name="a18ff8acfb48b704c510375ec398dff0b"></a>97 <a·id="a18ff8acfb48b704c510375ec398dff0b"·name="a18ff8acfb48b704c510375ec398dff0b"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a18ff8acfb48b704c510375ec398dff0b">&#9670;&#160;</a></span>record_name</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a18ff8acfb48b704c510375ec398dff0b">&#9670;&#160;</a></span>record_name</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
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102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE2::record_name</td>103 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordSCALE2::record_name</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00943">943</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00943">943</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a41bcaa431e5f82f3438b06f032b1eb7e"·name="a41bcaa431e5f82f3438b06f032b1eb7e"></a>110 <a·id="a41bcaa431e5f82f3438b06f032b1eb7e"·name="a41bcaa431e5f82f3438b06f032b1eb7e"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#a41bcaa431e5f82f3438b06f032b1eb7e">&#9670;&#160;</a></span>record_type</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#a41bcaa431e5f82f3438b06f032b1eb7e">&#9670;&#160;</a></span>record_type</h2>
  
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121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordSCALE2::record_type</td>121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordSCALE2::record_type</td>
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124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00942">942</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00942">942</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ac72ebe706b1b43499d1b6c4398aa73c9"·name="ac72ebe706b1b43499d1b6c4398aa73c9"></a>128 <a·id="ac72ebe706b1b43499d1b6c4398aa73c9"·name="ac72ebe706b1b43499d1b6c4398aa73c9"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72ebe706b1b43499d1b6c4398aa73c9">&#9670;&#160;</a></span>transformation_matrix</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ac72ebe706b1b43499d1b6c4398aa73c9">&#9670;&#160;</a></span>transformation_matrix</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE2::transformation_matrix[4]</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordSCALE2::transformation_matrix[4]</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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78 ··<div·class="headertitle"><div·class="title">johnsonBoveyShiftProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">geometricControl.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;list&gt;</code><br·/>84 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/>
 85 <code>#include·&lt;QtWidgets/QMenu&gt;</code><br·/>
88 </div>86 </div>
89 <p><a·href="../../da/db7/a01088_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../da/db7/a01088_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">88 <table·class="memberdecls">
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94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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65 </div>65 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_a7dfdbc559f1e3def0943b68d93d2e00.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9c49eda7ff5b95332868121bc4c7d58e.html">SCORING</a></li><li·class="navelem"><a·class="el"·href="../../dir_9bd9a25c69c8550c3b6507806ed5ae6b.html">COMPONENTS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">scoringOptimizer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rotationalEntropy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../da/dbe/a02084_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../da/dbe/a02084_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc1/a06186.html">BALL::ScoringOptimizer::Result</a></td></tr> 
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 <a·href="../../d2/df8/a07539.html">List·of·all·members</a>··</div>79 <a·href="../../d2/df8/a07539.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BondProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BondProperties·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a00449_source.html">BALL/VIEW/DIALOGS/bondProperties.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d67/a01232_source.html">BALL/VIEW/DIALOGS/bondProperties.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::BondProperties:</div>85 Inheritance·diagram·for·BALL::VIEW::BondProperties:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../da/dc0/a07542.png"·usemap="#BALL::VIEW::BondProperties_map"·alt=""/>88 ··<img·src="../../da/dc0/a07542.png"·usemap="#BALL::VIEW::BondProperties_map"·alt=""/>
89 ··<map·id="BALL::VIEW::BondProperties_map"·name="BALL::VIEW::BondProperties_map">89 ··<map·id="BALL::VIEW::BondProperties_map"·name="BALL::VIEW::BondProperties_map">
90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,173,24"/>90 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,173,24"/>
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107 <tr·class="separator:a7aa28316ed9ff8ff49990bb6dc9545cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a7aa28316ed9ff8ff49990bb6dc9545cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 <tr·class="memitem:a8bda53899e7f0b497d12a296e6930167"·id="r_a8bda53899e7f0b497d12a296e6930167"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc0/a07542.html#a8bda53899e7f0b497d12a296e6930167">~BondProperties</a>·()</td></tr>108 <tr·class="memitem:a8bda53899e7f0b497d12a296e6930167"·id="r_a8bda53899e7f0b497d12a296e6930167"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc0/a07542.html#a8bda53899e7f0b497d12a296e6930167">~BondProperties</a>·()</td></tr>
109 <tr·class="separator:a8bda53899e7f0b497d12a296e6930167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:a8bda53899e7f0b497d12a296e6930167"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 </table>110 </table>
111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>111 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
112 <div·class="textblock"><p>Dialog·for·showing·and·changing·the·properties·of·the·bonds·of·an·atom·</p>112 <div·class="textblock"><p>Dialog·for·showing·and·changing·the·properties·of·the·bonds·of·an·atom·</p>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a00449_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d10/a00449_source.html">bondProperties.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d67/a01232_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d67/a01232_source.html">bondProperties.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="a7aa28316ed9ff8ff49990bb6dc9545cd"·name="a7aa28316ed9ff8ff49990bb6dc9545cd"></a>115 <a·id="a7aa28316ed9ff8ff49990bb6dc9545cd"·name="a7aa28316ed9ff8ff49990bb6dc9545cd"></a>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d3/d83/a06287.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d83/a06287.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBondSlick·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HydrogenBondSlick·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d8a/a02063_source.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::HydrogenBondSlick:</div>84 Inheritance·diagram·for·BALL::HydrogenBondSlick:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/dc8/a06290.png"·usemap="#BALL::HydrogenBondSlick_map"·alt=""/>87 ··<img·src="../../da/dc8/a06290.png"·usemap="#BALL::HydrogenBondSlick_map"·alt=""/>
88 ··<map·id="BALL::HydrogenBondSlick_map"·name="BALL::HydrogenBondSlick_map">88 ··<map·id="BALL::HydrogenBondSlick_map"·name="BALL::HydrogenBondSlick_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,161,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,161,24"/>
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204 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>204 <tr·class="separator:ac9dea80f76341d127c477b53221c1462·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
205 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>205 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
206 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>206 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
207 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>207 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
208 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>208 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
209 </table>209 </table>
210 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>210 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
211 <div·class="textblock"><p>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d6/d90/a01964.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>}·</p>211 <div·class="textblock"><p>Fresno·Hydrogen·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·component.·{\bf·Definition:}·\URL{<a·class="el"·href="../../d2/d8a/a02063.html">BALL/SCORING/COMPONENTS/hydrogenBondSlick.h</a>}·</p>
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">hydrogenBondSlick.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d8a/a02063_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d2/d8a/a02063_source.html">hydrogenBondSlick.h</a>.</p>
213 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>213 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
214 <a·id="a81dc6cd126d01abd9e13bcc00dfb8802"·name="a81dc6cd126d01abd9e13bcc00dfb8802"></a>214 <a·id="a81dc6cd126d01abd9e13bcc00dfb8802"·name="a81dc6cd126d01abd9e13bcc00dfb8802"></a>
215 <h2·class="memtitle"><span·class="permalink"><a·href="#a81dc6cd126d01abd9e13bcc00dfb8802">&#9670;&#160;</a></span>HydrogenBondSlick()·<span·class="overload">[1/4]</span></h2>215 <h2·class="memtitle"><span·class="permalink"><a·href="#a81dc6cd126d01abd9e13bcc00dfb8802">&#9670;&#160;</a></span>HydrogenBondSlick()·<span·class="overload">[1/4]</span></h2>
  
216 <div·class="memitem">216 <div·class="memitem">
217 <div·class="memproto">217 <div·class="memproto">
218 ······<table·class="memname">218 ······<table·class="memname">
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78 <a·href="#pro-types">Protected·Types</a>·&#124;78 <a·href="#pro-types">Protected·Types</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../db/d5b/a07947.html">List·of·all·members</a>··</div>80 <a·href="../../db/d5b/a07947.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::BALLViewServer·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::BALLViewServer·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/db1/a00200_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d2/d71/a01055_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::ServerWidget::BALLViewServer:</div>86 Inheritance·diagram·for·BALL::VIEW::ServerWidget::BALLViewServer:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../da/dc8/a07950.png"·usemap="#BALL::VIEW::ServerWidget::BALLViewServer_map"·alt=""/>89 ··<img·src="../../da/dc8/a07950.png"·usemap="#BALL::VIEW::ServerWidget::BALLViewServer_map"·alt=""/>
90 ··<map·id="BALL::VIEW::ServerWidget::BALLViewServer_map"·name="BALL::VIEW::ServerWidget::BALLViewServer_map">90 ··<map·id="BALL::VIEW::ServerWidget::BALLViewServer_map"·name="BALL::VIEW::ServerWidget::BALLViewServer_map">
91 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,267,80"/>91 <area·href="../../dc/da9/a07982.html"·alt="BALL::VIEW::BALLThread"·shape="rect"·coords="0,56,267,80"/>
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198 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a86f8e5eb10fe0cc8fdcf07a1f4bb43f2·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>199 <tr·class="memitem:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"·id="r_aa5886030120d7d8f2defd25163a9a43b"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/da9/a07982.html#aa5886030120d7d8f2defd25163a9a43b">waitForUpdateOfRepresentations_</a>·()</td></tr>
200 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:aa5886030120d7d8f2defd25163a9a43b·inherit·pro_methods_a07982"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 </table>201 </table>
202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>202 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
203 <div·class="textblock"><p>BALLView·server·thread.·This·class·handles·the·incoming·connections·for·the·simple·BALL-protocol·for·sending·composites·over·the·net.·</p>203 <div·class="textblock"><p>BALLView·server·thread.·This·class·handles·the·incoming·connections·for·the·simple·BALL-protocol·for·sending·composites·over·the·net.·</p>
  
204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>204 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
205 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>205 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
206 <a·id="ac6b42bbd8c8b72db0372923f46014284"·name="ac6b42bbd8c8b72db0372923f46014284"></a>206 <a·id="ac6b42bbd8c8b72db0372923f46014284"·name="ac6b42bbd8c8b72db0372923f46014284"></a>
207 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6b42bbd8c8b72db0372923f46014284">&#9670;&#160;</a></span>CompositeHashMap</h2>207 <h2·class="memtitle"><span·class="permalink"><a·href="#ac6b42bbd8c8b72db0372923f46014284">&#9670;&#160;</a></span>CompositeHashMap</h2>
  
208 <div·class="memitem">208 <div·class="memitem">
209 <div·class="memproto">209 <div·class="memproto">
210 <table·class="mlabels">210 <table·class="mlabels">
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220 ··</td>220 ··</td>
221 ··<td·class="mlabels-right">221 ··<td·class="mlabels-right">
222 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>222 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
223 ··</tr>223 ··</tr>
224 </table>224 </table>
225 </div><div·class="memdoc">225 </div><div·class="memdoc">
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
227 </div>227 </div>
228 </div>228 </div>
229 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>229 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
230 <a·id="a1cf2d7c0291f207fdf3038bfbfa28f23"·name="a1cf2d7c0291f207fdf3038bfbfa28f23"></a>230 <a·id="a1cf2d7c0291f207fdf3038bfbfa28f23"·name="a1cf2d7c0291f207fdf3038bfbfa28f23"></a>
231 <h2·class="memtitle"><span·class="permalink"><a·href="#a1cf2d7c0291f207fdf3038bfbfa28f23">&#9670;&#160;</a></span>BALLViewServer()</h2>231 <h2·class="memtitle"><span·class="permalink"><a·href="#a1cf2d7c0291f207fdf3038bfbfa28f23">&#9670;&#160;</a></span>BALLViewServer()</h2>
  
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385 ··</td>385 ··</td>
386 ··<td·class="mlabels-right">386 ··<td·class="mlabels-right">
387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>387 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
388 ··</tr>388 ··</tr>
389 </table>389 </table>
390 </div><div·class="memdoc">390 </div><div·class="memdoc">
  
391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>391 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
392 </div>392 </div>
393 </div>393 </div>
394 <a·id="adaddb752d0a192a2a2a53420cbc3a5d7"·name="adaddb752d0a192a2a2a53420cbc3a5d7"></a>394 <a·id="adaddb752d0a192a2a2a53420cbc3a5d7"·name="adaddb752d0a192a2a2a53420cbc3a5d7"></a>
395 <h2·class="memtitle"><span·class="permalink"><a·href="#adaddb752d0a192a2a2a53420cbc3a5d7">&#9670;&#160;</a></span>is_locked_</h2>395 <h2·class="memtitle"><span·class="permalink"><a·href="#adaddb752d0a192a2a2a53420cbc3a5d7">&#9670;&#160;</a></span>is_locked_</h2>
  
396 <div·class="memitem">396 <div·class="memitem">
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409 ··</td>409 ··</td>
410 ··<td·class="mlabels-right">410 ··<td·class="mlabels-right">
411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>411 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
412 ··</tr>412 ··</tr>
413 </table>413 </table>
414 </div><div·class="memdoc">414 </div><div·class="memdoc">
  
415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>415 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
416 </div>416 </div>
417 </div>417 </div>
418 <a·id="a71f0ddd8e3a588da39a3d5afff63b87a"·name="a71f0ddd8e3a588da39a3d5afff63b87a"></a>418 <a·id="a71f0ddd8e3a588da39a3d5afff63b87a"·name="a71f0ddd8e3a588da39a3d5afff63b87a"></a>
419 <h2·class="memtitle"><span·class="permalink"><a·href="#a71f0ddd8e3a588da39a3d5afff63b87a">&#9670;&#160;</a></span>parent_widget_</h2>419 <h2·class="memtitle"><span·class="permalink"><a·href="#a71f0ddd8e3a588da39a3d5afff63b87a">&#9670;&#160;</a></span>parent_widget_</h2>
  
420 <div·class="memitem">420 <div·class="memitem">
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433 ··</td>433 ··</td>
434 ··<td·class="mlabels-right">434 ··<td·class="mlabels-right">
435 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>435 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
436 ··</tr>436 ··</tr>
437 </table>437 </table>
438 </div><div·class="memdoc">438 </div><div·class="memdoc">
  
439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>439 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
440 </div>440 </div>
441 </div>441 </div>
442 <a·id="a2792178d768437493fead7a76aeb2bd4"·name="a2792178d768437493fead7a76aeb2bd4"></a>442 <a·id="a2792178d768437493fead7a76aeb2bd4"·name="a2792178d768437493fead7a76aeb2bd4"></a>
443 <h2·class="memtitle"><span·class="permalink"><a·href="#a2792178d768437493fead7a76aeb2bd4">&#9670;&#160;</a></span>port_</h2>443 <h2·class="memtitle"><span·class="permalink"><a·href="#a2792178d768437493fead7a76aeb2bd4">&#9670;&#160;</a></span>port_</h2>
  
444 <div·class="memitem">444 <div·class="memitem">
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457 ··</td>457 ··</td>
458 ··<td·class="mlabels-right">458 ··<td·class="mlabels-right">
459 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>459 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
460 ··</tr>460 ··</tr>
461 </table>461 </table>
462 </div><div·class="memdoc">462 </div><div·class="memdoc">
  
463 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>463 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
  
464 </div>464 </div>
465 </div>465 </div>
466 <a·id="abd4c87cbf14274b6e73ba2e2d5951ff5"·name="abd4c87cbf14274b6e73ba2e2d5951ff5"></a>466 <a·id="abd4c87cbf14274b6e73ba2e2d5951ff5"·name="abd4c87cbf14274b6e73ba2e2d5951ff5"></a>
467 <h2·class="memtitle"><span·class="permalink"><a·href="#abd4c87cbf14274b6e73ba2e2d5951ff5">&#9670;&#160;</a></span>received_composite_</h2>467 <h2·class="memtitle"><span·class="permalink"><a·href="#abd4c87cbf14274b6e73ba2e2d5951ff5">&#9670;&#160;</a></span>received_composite_</h2>
  
468 <div·class="memitem">468 <div·class="memitem">
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481 ··</td>481 ··</td>
482 ··<td·class="mlabels-right">482 ··<td·class="mlabels-right">
483 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>483 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
484 ··</tr>484 ··</tr>
485 </table>485 </table>
486 </div><div·class="memdoc">486 </div><div·class="memdoc">
  
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8 <title>BALL:·triangulatedSES.h·File·Reference</title>8 <title>BALL:·nucleotideMapping.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">triangulatedSES.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">nucleotideMapping.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
 82 <div·class="textblock"><code>#include·&lt;string&gt;</code><br·/>
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dc6/a01793_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dc/d3e/a01712_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../d9/dd4/a00776_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
90 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
91 <code>#include·&lt;list&gt;</code><br·/> 
92 <code>#include·&lt;vector&gt;</code><br·/> 
93 </div>84 </div>
94 <p><a·href="../../da/dcd/a01835_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/dcd/a01835_source.html">Go·to·the·source·code·of·this·file.</a></p>
95 <table·class="memberdecls">86 <table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
97 Classes</h2></td></tr>88 Classes</h2></td></tr>
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/de5/a07314.html">BALL::TriangulatedSES</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html">BALL::NucleotideMapping</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d19/a07318.html">BALL::SESTriangulator</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
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104 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/dc7/a06607.html">List·of·all·members</a>··</div>77 <a·href="../../de/dc7/a06607.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SolventDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SolventDescriptor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·destructor</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·destructor</div></td></tr>
86 <tr·class="memitem:a6870296c2392fa5ca73c73727e0ec816"·id="r_a6870296c2392fa5ca73c73727e0ec816"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a6870296c2392fa5ca73c73727e0ec816">SolventDescriptor</a>·()</td></tr>86 <tr·class="memitem:a6870296c2392fa5ca73c73727e0ec816"·id="r_a6870296c2392fa5ca73c73727e0ec816"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a6870296c2392fa5ca73c73727e0ec816">SolventDescriptor</a>·()</td></tr>
87 <tr·class="separator:a6870296c2392fa5ca73c73727e0ec816"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a6870296c2392fa5ca73c73727e0ec816"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ab13b659d5bbf18084ebbb22867d9da76"·id="r_ab13b659d5bbf18084ebbb22867d9da76"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#ab13b659d5bbf18084ebbb22867d9da76">SolventDescriptor</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;solvent)</td></tr>88 <tr·class="memitem:ab13b659d5bbf18084ebbb22867d9da76"·id="r_ab13b659d5bbf18084ebbb22867d9da76"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#ab13b659d5bbf18084ebbb22867d9da76">SolventDescriptor</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;solvent)</td></tr>
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132 <tr·class="separator:a84a3afee99b42299160f61fdc5a8eccb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>132 <tr·class="separator:a84a3afee99b42299160f61fdc5a8eccb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
133 <tr·class="memitem:a8263af7ba4f402c3ebebea7986a441a0"·id="r_a8263af7ba4f402c3ebebea7986a441a0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a8263af7ba4f402c3ebebea7986a441a0">operator==</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;descriptor)·const</td></tr>133 <tr·class="memitem:a8263af7ba4f402c3ebebea7986a441a0"·id="r_a8263af7ba4f402c3ebebea7986a441a0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd2/a06610.html#a8263af7ba4f402c3ebebea7986a441a0">operator==</a>·(const·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·&amp;descriptor)·const</td></tr>
134 <tr·class="separator:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a8263af7ba4f402c3ebebea7986a441a0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 </table>135 </table>
136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>136 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
137 <div·class="textblock"><p>Solvent·Description.·The·calculation·of·van-der-Waals·energies·requires·information·about·the·solvent·which·is·stored·in·this·structure.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>137 <div·class="textblock"><p>Solvent·Description.·The·calculation·of·van-der-Waals·energies·requires·information·about·the·solvent·which·is·stored·in·this·structure.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>139 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
140 <a·id="a6870296c2392fa5ca73c73727e0ec816"·name="a6870296c2392fa5ca73c73727e0ec816"></a>140 <a·id="a6870296c2392fa5ca73c73727e0ec816"·name="a6870296c2392fa5ca73c73727e0ec816"></a>
141 <h2·class="memtitle"><span·class="permalink"><a·href="#a6870296c2392fa5ca73c73727e0ec816">&#9670;&#160;</a></span>SolventDescriptor()·<span·class="overload">[1/3]</span></h2>141 <h2·class="memtitle"><span·class="permalink"><a·href="#a6870296c2392fa5ca73c73727e0ec816">&#9670;&#160;</a></span>SolventDescriptor()·<span·class="overload">[1/3]</span></h2>
  
142 <div·class="memitem">142 <div·class="memitem">
143 <div·class="memproto">143 <div·class="memproto">
144 ······<table·class="memname">144 ······<table·class="memname">
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523 ··</td>523 ··</td>
524 ··<td·class="mlabels-right">524 ··<td·class="mlabels-right">
525 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>525 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
526 ··</tr>526 ··</tr>
527 </table>527 </table>
528 </div><div·class="memdoc">528 </div><div·class="memdoc">
  
529 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>529 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00170">170</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
530 </div>530 </div>
531 </div>531 </div>
532 <a·id="a0f2560bd27b7724730601283215d9761"·name="a0f2560bd27b7724730601283215d9761"></a>532 <a·id="a0f2560bd27b7724730601283215d9761"·name="a0f2560bd27b7724730601283215d9761"></a>
533 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f2560bd27b7724730601283215d9761">&#9670;&#160;</a></span>number_density_</h2>533 <h2·class="memtitle"><span·class="permalink"><a·href="#a0f2560bd27b7724730601283215d9761">&#9670;&#160;</a></span>number_density_</h2>
  
534 <div·class="memitem">534 <div·class="memitem">
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547 ··</td>547 ··</td>
548 ··<td·class="mlabels-right">548 ··<td·class="mlabels-right">
549 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>549 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
550 ··</tr>550 ··</tr>
551 </table>551 </table>
552 </div><div·class="memdoc">552 </div><div·class="memdoc">
  
553 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>553 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
554 </div>554 </div>
555 </div>555 </div>
556 <a·id="a94abaeb3e4fde1c3df81921f5a7a4fe5"·name="a94abaeb3e4fde1c3df81921f5a7a4fe5"></a>556 <a·id="a94abaeb3e4fde1c3df81921f5a7a4fe5"·name="a94abaeb3e4fde1c3df81921f5a7a4fe5"></a>
557 <h2·class="memtitle"><span·class="permalink"><a·href="#a94abaeb3e4fde1c3df81921f5a7a4fe5">&#9670;&#160;</a></span>solvent_atoms_</h2>557 <h2·class="memtitle"><span·class="permalink"><a·href="#a94abaeb3e4fde1c3df81921f5a7a4fe5">&#9670;&#160;</a></span>solvent_atoms_</h2>
  
558 <div·class="memitem">558 <div·class="memitem">
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571 ··</td>571 ··</td>
572 ··<td·class="mlabels-right">572 ··<td·class="mlabels-right">
573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>573 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
574 ··</tr>574 ··</tr>
575 </table>575 </table>
576 </div><div·class="memdoc">576 </div><div·class="memdoc">
  
577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>577 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
578 </div>578 </div>
579 </div>579 </div>
580 <a·id="a5965a45ccc05fd7515c4f5dbfc75a50b"·name="a5965a45ccc05fd7515c4f5dbfc75a50b"></a>580 <a·id="a5965a45ccc05fd7515c4f5dbfc75a50b"·name="a5965a45ccc05fd7515c4f5dbfc75a50b"></a>
581 <h2·class="memtitle"><span·class="permalink"><a·href="#a5965a45ccc05fd7515c4f5dbfc75a50b">&#9670;&#160;</a></span>valid_</h2>581 <h2·class="memtitle"><span·class="permalink"><a·href="#a5965a45ccc05fd7515c4f5dbfc75a50b">&#9670;&#160;</a></span>valid_</h2>
  
582 <div·class="memitem">582 <div·class="memitem">
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595 ··</td>595 ··</td>
596 ··<td·class="mlabels-right">596 ··<td·class="mlabels-right">
597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>597 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
598 ··</tr>598 ··</tr>
599 </table>599 </table>
600 </div><div·class="memdoc">600 </div><div·class="memdoc">
  
601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">solventDescriptor.h</a>.</p>601 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">solventDescriptor.h</a>.</p>
  
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607 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8607 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/dd4/a03195.html">List·of·all·members</a>··</div>77 <a·href="../../d8/dd4/a03195.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::LogStream·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::LogStream·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d5d/a01202_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::LogStream:</div>83 Inheritance·diagram·for·BALL::LogStream:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/dd3/a03198.png"·alt=""/>86 ··<img·src="../../da/dd3/a03198.png"·alt=""/>
87 ·</div></div>87 ·</div></div>
88 <table·class="memberdecls">88 <table·class="memberdecls">
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160 <tr·class="memitem:a0c5e797c57f512b2046d1b32eab8be4a"·id="r_a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd3/a03198.html#a0c5e797c57f512b2046d1b32eab8be4a">filterLines</a>·(int·min_level=<a·class="el"·href="../../dd/d71/a03182.html#af0ea614ff30a60ea25cf1ba0500801f1">LogStreamBuf::MIN_LEVEL</a>,·int·max_level=<a·class="el"·href="../../dd/d71/a03182.html#a1f5b83414d4c0974de7baf036ac2dc15">LogStreamBuf::MAX_LEVEL</a>,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·earliest=0,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·latest=<a·class="el"·href="../../dd/d71/a03182.html#a817da7bbaf05d2b4bc7c12ec9695f021">LogStreamBuf::MAX_TIME</a>,·const·string·&amp;s=&quot;&quot;)·const</td></tr>160 <tr·class="memitem:a0c5e797c57f512b2046d1b32eab8be4a"·id="r_a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dd3/a03198.html#a0c5e797c57f512b2046d1b32eab8be4a">filterLines</a>·(int·min_level=<a·class="el"·href="../../dd/d71/a03182.html#af0ea614ff30a60ea25cf1ba0500801f1">LogStreamBuf::MIN_LEVEL</a>,·int·max_level=<a·class="el"·href="../../dd/d71/a03182.html#a1f5b83414d4c0974de7baf036ac2dc15">LogStreamBuf::MAX_LEVEL</a>,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·earliest=0,·<a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·latest=<a·class="el"·href="../../dd/d71/a03182.html#a817da7bbaf05d2b4bc7c12ec9695f021">LogStreamBuf::MAX_TIME</a>,·const·string·&amp;s=&quot;&quot;)·const</td></tr>
161 <tr·class="separator:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>161 <tr·class="separator:a0c5e797c57f512b2046d1b32eab8be4a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
162 </table>162 </table>
163 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>163 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
164 <div·class="textblock"><p>Log·Stream·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>164 <div·class="textblock"><p>Log·Stream·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
165 <dl·class="section·user"><dt></dt><dd></dd></dl>165 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>166 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
167 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>167 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
168 <a·id="ab94cfbfb6713957e645c264676de9409"·name="ab94cfbfb6713957e645c264676de9409"></a>168 <a·id="ab94cfbfb6713957e645c264676de9409"·name="ab94cfbfb6713957e645c264676de9409"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#ab94cfbfb6713957e645c264676de9409">&#9670;&#160;</a></span>LogStreamLevel</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#ab94cfbfb6713957e645c264676de9409">&#9670;&#160;</a></span>LogStreamLevel</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
171 <div·class="memproto">171 <div·class="memproto">
172 ······<table·class="memname">172 ······<table·class="memname">
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183 </td></tr>183 </td></tr>
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185 </td></tr>185 </td></tr>
186 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"·name="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"></a>INFORMATION_LEVEL&#160;</td><td·class="fielddoc"><p>Loglevels·&gt;=·INFORMATION·indicate·information·messages·</p>186 <tr><td·class="fieldname"><a·id="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"·name="ab94cfbfb6713957e645c264676de9409a78a0b94e22725a2bbb36a43293365be1"></a>INFORMATION_LEVEL&#160;</td><td·class="fielddoc"><p>Loglevels·&gt;=·INFORMATION·indicate·information·messages·</p>
187 </td></tr>187 </td></tr>
188 </table>188 </table>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00261">261</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00261">261</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
190 </div>190 </div>
191 </div>191 </div>
192 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>192 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
193 <a·id="a7b2c997720e38af035b7768a5487ace0"·name="a7b2c997720e38af035b7768a5487ace0"></a>193 <a·id="a7b2c997720e38af035b7768a5487ace0"·name="a7b2c997720e38af035b7768a5487ace0"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b2c997720e38af035b7768a5487ace0">&#9670;&#160;</a></span>LogStream()</h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b2c997720e38af035b7768a5487ace0">&#9670;&#160;</a></span>LogStream()</h2>
  
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">gpModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">commandlineParser.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dc/d17/a00872_source.html">BALL/FORMAT/paramFile.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;map&gt;</code><br·/>
 85 <code>#include·&lt;set&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../da/dd6/a00896_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../da/dd6/a00896_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table>98 </table>
98 </div><!--·contents·-->99 </div><!--·contents·-->
99 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">parameters.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">FDPBDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../de/de1/a00065_source.html">BALL/MOLMEC/COMMON/radiusRuleProcessor.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;BALL/VIEW/UIC/ui_FDPBDialog.h&gt;</code><br·/>
82 </div>89 </div>
83 <p><a·href="../../da/dd8/a01265_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../da/dd8/a01265_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">91 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d34/a04078.html">BALL::Parameters</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dd4/a07606.html">BALL::VIEW::FDPBDialog</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">96 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>98 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 101 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>103 </table>
95 </div><!--·contents·-->104 </div><!--·contents·-->
96 <!--·start·footer·part·-->105 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>106 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·textEditorWidget.h·File·Reference</title>8 <title>BALL:·pyConstant.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">textEditorWidget.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyConstant.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;QPlainTextEdit&gt;</code><br·/> 
84 <code>#include·&lt;QObject&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../da/de0/a00317_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../da/de0/a00317_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d4a/a08566.html">BALL::VIEW::TextEditorWidget</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d89/a05566.html">BALL::Constant</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html">BALL::VIEW::TextEditorWidget::LineNumbers</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>94 </table>
102 </div><!--·contents·-->95 </div><!--·contents·-->
103 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d4/dfd/a08203.html">List·of·all·members</a>··</div>77 <a·href="../../d4/dfd/a08203.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Tube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Tube·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/VIEW/PRIMITIVES/tube.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../da/d06/a01403_source.html">BALL/VIEW/PRIMITIVES/tube.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Tube:</div>83 Inheritance·diagram·for·BALL::VIEW::Tube:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../da/de1/a08206.png"·usemap="#BALL::VIEW::Tube_map"·alt=""/>86 ··<img·src="../../da/de1/a08206.png"·usemap="#BALL::VIEW::Tube_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Tube_map"·name="BALL::VIEW::Tube_map">87 ··<map·id="BALL::VIEW::Tube_map"·name="BALL::VIEW::Tube_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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239 <li>radius·-·the·radius·of·the·tube</li>239 <li>radius·-·the·radius·of·the·tube</li>
240 <li>vertex1·-·the·first·vertex·of·the·tube</li>240 <li>vertex1·-·the·first·vertex·of·the·tube</li>
241 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../da/de1/a08206.html">Tube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>241 <li>vertex2·-·the·second·vertex·of·the·tube·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../da/de1/a08206.html">Tube</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·Radius·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
242 <dl·class="section·user"><dt></dt><dd></dd></dl>242 <dl·class="section·user"><dt></dt><dd></dd></dl>
243 </li>243 </li>
244 </ul>244 </ul>
  
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">tube.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>246 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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248 <h2·class="memtitle"><span·class="permalink"><a·href="#a9894cc1b786f5d9e6266c3403e4b5d81">&#9670;&#160;</a></span>Tube()·<span·class="overload">[1/2]</span></h2>248 <h2·class="memtitle"><span·class="permalink"><a·href="#a9894cc1b786f5d9e6266c3403e4b5d81">&#9670;&#160;</a></span>Tube()·<span·class="overload">[1/2]</span></h2>
  
249 <div·class="memitem">249 <div·class="memitem">
250 <div·class="memproto">250 <div·class="memproto">
251 ······<table·class="memname">251 ······<table·class="memname">
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427 ··<td·class="mlabels-right">427 ··<td·class="mlabels-right">
428 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>428 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
429 ··</tr>429 ··</tr>
430 </table>430 </table>
431 </div><div·class="memdoc">431 </div><div·class="memdoc">
432 <p>Inspection·of·the·length·of·the·tube.·Access·the·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·length·of·this·tube·</dd></dl>432 <p>Inspection·of·the·length·of·the·tube.·Access·the·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·length·of·this·tube·</dd></dl>
  
433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">tube.h</a>.</p>433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
434 </div>434 </div>
435 </div>435 </div>
436 <a·id="ab53d0653fe70dd4305d1c6fe6c8f57e6"·name="ab53d0653fe70dd4305d1c6fe6c8f57e6"></a>436 <a·id="ab53d0653fe70dd4305d1c6fe6c8f57e6"·name="ab53d0653fe70dd4305d1c6fe6c8f57e6"></a>
437 <h2·class="memtitle"><span·class="permalink"><a·href="#ab53d0653fe70dd4305d1c6fe6c8f57e6">&#9670;&#160;</a></span>getRadius()</h2>437 <h2·class="memtitle"><span·class="permalink"><a·href="#ab53d0653fe70dd4305d1c6fe6c8f57e6">&#9670;&#160;</a></span>getRadius()</h2>
  
438 <div·class="memitem">438 <div·class="memitem">
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455 ··<td·class="mlabels-right">455 ··<td·class="mlabels-right">
456 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>456 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
457 ··</tr>457 ··</tr>
458 </table>458 </table>
459 </div><div·class="memdoc">459 </div><div·class="memdoc">
460 <p>Get·the·radius.·</p>460 <p>Get·the·radius.·</p>
  
461 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">tube.h</a>.</p>461 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
462 </div>462 </div>
463 </div>463 </div>
464 <a·id="ab6133f0c12e496f20ea587551ec6d893"·name="ab6133f0c12e496f20ea587551ec6d893"></a>464 <a·id="ab6133f0c12e496f20ea587551ec6d893"·name="ab6133f0c12e496f20ea587551ec6d893"></a>
465 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6133f0c12e496f20ea587551ec6d893">&#9670;&#160;</a></span>getSquareLength()</h2>465 <h2·class="memtitle"><span·class="permalink"><a·href="#ab6133f0c12e496f20ea587551ec6d893">&#9670;&#160;</a></span>getSquareLength()</h2>
  
466 <div·class="memitem">466 <div·class="memitem">
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483 ··<td·class="mlabels-right">483 ··<td·class="mlabels-right">
484 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>484 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
485 ··</tr>485 ··</tr>
486 </table>486 </table>
487 </div><div·class="memdoc">487 </div><div·class="memdoc">
488 <p>Inspection·of·the·square·length·of·the·tube.·Access·the·square·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·square·length·of·this·tube·</dd></dl>488 <p>Inspection·of·the·square·length·of·the·tube.·Access·the·square·length·of·this·tube.·</p><dl·class="section·return"><dt>Returns</dt><dd>float·the·square·length·of·this·tube·</dd></dl>
  
489 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">tube.h</a>.</p>489 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00127">127</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
490 </div>490 </div>
491 </div>491 </div>
492 <a·id="ad3e050ac04989ab9f1b3a8abdbc08ff2"·name="ad3e050ac04989ab9f1b3a8abdbc08ff2"></a>492 <a·id="ad3e050ac04989ab9f1b3a8abdbc08ff2"·name="ad3e050ac04989ab9f1b3a8abdbc08ff2"></a>
493 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3e050ac04989ab9f1b3a8abdbc08ff2">&#9670;&#160;</a></span>getVertices()</h2>493 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3e050ac04989ab9f1b3a8abdbc08ff2">&#9670;&#160;</a></span>getVertices()</h2>
  
494 <div·class="memitem">494 <div·class="memitem">
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615 ··<td·class="mlabels-right">615 ··<td·class="mlabels-right">
616 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>616 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
617 ··</tr>617 ··</tr>
618 </table>618 </table>
619 </div><div·class="memdoc">619 </div><div·class="memdoc">
620 <p>Set·the·radius.·</p>620 <p>Set·the·radius.·</p>
  
621 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">tube.h</a>.</p>621 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d06/a01403_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../da/d06/a01403_source.html">tube.h</a>.</p>
  
622 </div>622 </div>
623 </div>623 </div>
624 <a·id="a39e95670baf6fdb949603310d952a8e2"·name="a39e95670baf6fdb949603310d952a8e2"></a>624 <a·id="a39e95670baf6fdb949603310d952a8e2"·name="a39e95670baf6fdb949603310d952a8e2"></a>
625 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e95670baf6fdb949603310d952a8e2">&#9670;&#160;</a></span>swap()</h2>625 <h2·class="memtitle"><span·class="permalink"><a·href="#a39e95670baf6fdb949603310d952a8e2">&#9670;&#160;</a></span>swap()</h2>
  
626 <div·class="memitem">626 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/d94/a03167.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d94/a03167.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotInitialized·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::NotInitialized·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::NotInitialized:</div>84 Inheritance·diagram·for·BALL::Exception::NotInitialized:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../da/de5/a03170.png"·usemap="#BALL::Exception::NotInitialized_map"·alt=""/>87 ··<img·src="../../da/de5/a03170.png"·usemap="#BALL::Exception::NotInitialized_map"·alt=""/>
88 ··<map·id="BALL::Exception::NotInitialized_map"·name="BALL::Exception::NotInitialized_map">88 ··<map·id="BALL::Exception::NotInitialized_map"·name="BALL::Exception::NotInitialized_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../da/de5/a03170.html">NotInitialized</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>143 <div·class="textblock"><p><a·class="el"·href="../../da/de5/a03170.html">NotInitialized</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>
144 <p>Objects·may·throw·this·exception·if·they·have·not·been·sufficiently·initialized.·</p>144 <p>Objects·may·throw·this·exception·if·they·have·not·been·sufficiently·initialized.·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="ae2f1465355287a3e6bcf3ae6594db66b"·name="ae2f1465355287a3e6bcf3ae6594db66b"></a>147 <a·id="ae2f1465355287a3e6bcf3ae6594db66b"·name="ae2f1465355287a3e6bcf3ae6594db66b"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2f1465355287a3e6bcf3ae6594db66b">&#9670;&#160;</a></span>NotInitialized()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2f1465355287a3e6bcf3ae6594db66b">&#9670;&#160;</a></span>NotInitialized()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingFinishedMessage·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockingFinishedMessage·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.··83 <p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.··
84 ·<a·href="../../da/de7/a07890.html#details">More...</a></p>84 ·<a·href="../../da/de7/a07890.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::DockingFinishedMessage:</div>87 Inheritance·diagram·for·BALL::VIEW::DockingFinishedMessage:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../da/de7/a07890.png"·usemap="#BALL::VIEW::DockingFinishedMessage_map"·alt=""/>90 ··<img·src="../../da/de7/a07890.png"·usemap="#BALL::VIEW::DockingFinishedMessage_map"·alt=""/>
91 ··<map·id="BALL::VIEW::DockingFinishedMessage_map"·name="BALL::VIEW::DockingFinishedMessage_map">91 ··<map·id="BALL::VIEW::DockingFinishedMessage_map"·name="BALL::VIEW::DockingFinishedMessage_map">
92 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,231,24"/>92 <area·href="../../d6/d6e/a07818.html"·alt="BALL::VIEW::Message"·shape="rect"·coords="0,0,231,24"/>
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134 <tr·class="separator:a92eda62ed84f7e0175b4babad6010b68"><td·class="memSeparator"·colspan="2">&#160;</td></tr>134 <tr·class="separator:a92eda62ed84f7e0175b4babad6010b68"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
135 <tr·class="memitem:a273a9dd043d63cf8b1fc526d8908a224"·id="r_a273a9dd043d63cf8b1fc526d8908a224"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/de7/a07890.html#a273a9dd043d63cf8b1fc526d8908a224">abort_</a></td></tr>135 <tr·class="memitem:a273a9dd043d63cf8b1fc526d8908a224"·id="r_a273a9dd043d63cf8b1fc526d8908a224"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/de7/a07890.html#a273a9dd043d63cf8b1fc526d8908a224">abort_</a></td></tr>
136 <tr·class="separator:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memSeparator"·colspan="2">&#160;</td></tr>136 <tr·class="separator:a273a9dd043d63cf8b1fc526d8908a224"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
137 </table>137 </table>
138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>138 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
139 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.·</p>139 <div·class="textblock"><p><a·class="el"·href="../../d6/d6e/a07818.html">Message</a>·to·notify·docking·has·finished.·</p>
  
140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00846">846</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>140 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00846">846</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>141 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
142 <a·id="a42fba7534abf4f07c5e531bf88664da5"·name="a42fba7534abf4f07c5e531bf88664da5"></a>142 <a·id="a42fba7534abf4f07c5e531bf88664da5"·name="a42fba7534abf4f07c5e531bf88664da5"></a>
143 <h2·class="memtitle"><span·class="permalink"><a·href="#a42fba7534abf4f07c5e531bf88664da5">&#9670;&#160;</a></span>DockingFinishedMessage()·<span·class="overload">[1/2]</span></h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a42fba7534abf4f07c5e531bf88664da5">&#9670;&#160;</a></span>DockingFinishedMessage()·<span·class="overload">[1/2]</span></h2>
  
144 <div·class="memitem">144 <div·class="memitem">
145 <div·class="memproto">145 <div·class="memproto">
146 ······<table·class="memname">146 ······<table·class="memname">
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220 ··</td>220 ··</td>
221 ··<td·class="mlabels-right">221 ··<td·class="mlabels-right">
222 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>222 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
223 ··</tr>223 ··</tr>
224 </table>224 </table>
225 </div><div·class="memdoc">225 </div><div·class="memdoc">
  
226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00866">866</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>226 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00866">866</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
227 </div>227 </div>
228 </div>228 </div>
229 <a·id="a246116a1b311d63e6eb7cc6f2e4573f4"·name="a246116a1b311d63e6eb7cc6f2e4573f4"></a>229 <a·id="a246116a1b311d63e6eb7cc6f2e4573f4"·name="a246116a1b311d63e6eb7cc6f2e4573f4"></a>
230 <h2·class="memtitle"><span·class="permalink"><a·href="#a246116a1b311d63e6eb7cc6f2e4573f4">&#9670;&#160;</a></span>setConformationSet()</h2>230 <h2·class="memtitle"><span·class="permalink"><a·href="#a246116a1b311d63e6eb7cc6f2e4573f4">&#9670;&#160;</a></span>setConformationSet()</h2>
  
231 <div·class="memitem">231 <div·class="memitem">
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248 ··</td>248 ··</td>
249 ··<td·class="mlabels-right">249 ··<td·class="mlabels-right">
250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
251 ··</tr>251 ··</tr>
252 </table>252 </table>
253 </div><div·class="memdoc">253 </div><div·class="memdoc">
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00860">860</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00860">860</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
255 </div>255 </div>
256 </div>256 </div>
257 <a·id="ac1037fcad79a5e6d213d7669a0e2b95f"·name="ac1037fcad79a5e6d213d7669a0e2b95f"></a>257 <a·id="ac1037fcad79a5e6d213d7669a0e2b95f"·name="ac1037fcad79a5e6d213d7669a0e2b95f"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1037fcad79a5e6d213d7669a0e2b95f">&#9670;&#160;</a></span>wasAborted()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#ac1037fcad79a5e6d213d7669a0e2b95f">&#9670;&#160;</a></span>wasAborted()</h2>
  
259 <div·class="memitem">259 <div·class="memitem">
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275 ··</td>275 ··</td>
276 ··<td·class="mlabels-right">276 ··<td·class="mlabels-right">
277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>277 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
278 ··</tr>278 ··</tr>
279 </table>279 </table>
280 </div><div·class="memdoc">280 </div><div·class="memdoc">
  
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326 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>326 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
327 ··</tr>327 ··</tr>
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330 <p>this·conformation·set·is·deleted·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>·</p>330 <p>this·conformation·set·is·deleted·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>·</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingSequence·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingSequence·Struct·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aaf9275f483f1899e8d9afb3bde81c96e"·id="r_aaf9275f483f1899e8d9afb3bde81c96e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dea/a04170.html#aaf9275f483f1899e8d9afb3bde81c96e">number</a></td></tr>86 <tr·class="memitem:aaf9275f483f1899e8d9afb3bde81c96e"·id="r_aaf9275f483f1899e8d9afb3bde81c96e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dea/a04170.html#aaf9275f483f1899e8d9afb3bde81c96e">number</a></td></tr>
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91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
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80 <div·class="contents">80 <div·class="contents">
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82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../db/d42/a01220_source.html">BALL/FORMAT/paramFile.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/> 
87 </div>83 </div>
88 <p><a·href="../../da/dec/a00080_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/dec/a00080_source.html">Go·to·the·source·code·of·this·file.</a></p>
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8 <title>BALL:·charmmBend.h·File·Reference</title>8 <title>BALL:·rotateBonds.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
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78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">charmmBend.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">rotateBonds.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/d95/a01637_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;vector&gt;</code><br·/>
84 </div>87 </div>
85 <p><a·href="../../da/ded/a01547_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../da/ded/a01547_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">89 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>91 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/df7/a05026.html">BALL::CharmmBend</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d38/a03786.html">BALL::RotateBonds</a></td></tr>
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95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
99 <tr·class="memitem:a4275754c252b216c209a5f5954771248"·id="r_a4275754c252b216c209a5f5954771248"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a01547.html#a4275754c252b216c209a5f5954771248">CHARMM_BENDS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Bends&quot;</td></tr> 
100 <tr·class="memdesc:a4275754c252b216c209a5f5954771248"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·BENDS··<br·/></td></tr> 
101 <tr·class="separator:a4275754c252b216c209a5f5954771248"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>99 </table>
103 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
104 <a·id="a4275754c252b216c209a5f5954771248"·name="a4275754c252b216c209a5f5954771248"></a> 
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a4275754c252b216c209a5f5954771248">&#9670;&#160;</a></span>CHARMM_BENDS_ENABLED</h2> 
  
106 <div·class="memitem"> 
107 <div·class="memproto"> 
108 ······<table·class="memname"> 
109 ········<tr> 
110 ··········<td·class="memname">#define·CHARMM_BENDS_ENABLED&#160;&#160;&#160;&quot;enable·Bends&quot;</td> 
111 ········</tr> 
112 ······</table> 
113 </div><div·class="memdoc"> 
  
114 <p>flag·to·enable·BENDS·</p> 
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/ded/a01547_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../da/ded/a01547_source.html">charmmBend.h</a>.</p> 
  
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77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::NucleotideMapping·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NucleotideMapping·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
86 Public·Types</h2></td></tr>86 Public·Types</h2></td></tr>
87 <tr·class="memitem:ac21714f74a05fda47f59c3512f5c2332"·id="r_ac21714f74a05fda47f59c3512f5c2332"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·const·std::string,·const·std::string·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a></td></tr>87 <tr·class="memitem:ac21714f74a05fda47f59c3512f5c2332"·id="r_ac21714f74a05fda47f59c3512f5c2332"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::pair&lt;·const·std::string,·const·std::string·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a></td></tr>
88 <tr·class="separator:ac21714f74a05fda47f59c3512f5c2332"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ac21714f74a05fda47f59c3512f5c2332"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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111 <tr·class="separator:a15c0f4e5d7aa9f324182fb1e08ca9504"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a15c0f4e5d7aa9f324182fb1e08ca9504"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 <tr·class="memitem:aad086ac44fdfc11392d6c6b72031e47c"·id="r_aad086ac44fdfc11392d6c6b72031e47c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/ded/a06986.html">NucleotideMapping</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#aad086ac44fdfc11392d6c6b72031e47c">assignFromAlignment</a>·(<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;a,·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;b,·const·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a>·&amp;alignment)</td></tr>112 <tr·class="memitem:aad086ac44fdfc11392d6c6b72031e47c"·id="r_aad086ac44fdfc11392d6c6b72031e47c"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/ded/a06986.html">NucleotideMapping</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/ded/a06986.html#aad086ac44fdfc11392d6c6b72031e47c">assignFromAlignment</a>·(<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;a,·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·&amp;b,·const·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">Alignment</a>·&amp;alignment)</td></tr>
113 <tr·class="separator:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>113 <tr·class="separator:aad086ac44fdfc11392d6c6b72031e47c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
114 </table>114 </table>
115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>115 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
116 <div·class="textblock"><p>This·class·defines·the·mapping·between·complementary·bases·in·to·strands·of·DNA.·Ideally·this·should·be·tightly·coupled·with·<a·class="el"·href="../../d2/df8/a04550.html">NucleicAcid</a>,·however·as·this·is·currently·broken·this·class·has·to·do·the·job.·This·also·explains·why·a·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·is·required·as·an·input.</p>116 <div·class="textblock"><p>This·class·defines·the·mapping·between·complementary·bases·in·to·strands·of·DNA.·Ideally·this·should·be·tightly·coupled·with·<a·class="el"·href="../../d2/df8/a04550.html">NucleicAcid</a>,·however·as·this·is·currently·broken·this·class·has·to·do·the·job.·This·also·explains·why·a·<a·class="el"·href="../../d4/d22/a04494.html">Chain</a>·is·required·as·an·input.</p>
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">nucleotideMapping.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">nucleotideMapping.h</a>.</p>
118 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>118 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
119 <a·id="ac21714f74a05fda47f59c3512f5c2332"·name="ac21714f74a05fda47f59c3512f5c2332"></a>119 <a·id="ac21714f74a05fda47f59c3512f5c2332"·name="ac21714f74a05fda47f59c3512f5c2332"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#ac21714f74a05fda47f59c3512f5c2332">&#9670;&#160;</a></span>Alignment</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#ac21714f74a05fda47f59c3512f5c2332">&#9670;&#160;</a></span>Alignment</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
122 <div·class="memproto">122 <div·class="memproto">
123 ······<table·class="memname">123 ······<table·class="memname">
124 ········<tr>124 ········<tr>
125 ··········<td·class="memname">typedef·std::pair&lt;const·std::string,·const·std::string&gt;·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">BALL::NucleotideMapping::Alignment</a></td>125 ··········<td·class="memname">typedef·std::pair&lt;const·std::string,·const·std::string&gt;·<a·class="el"·href="../../da/ded/a06986.html#ac21714f74a05fda47f59c3512f5c2332">BALL::NucleotideMapping::Alignment</a></td>
126 ········</tr>126 ········</tr>
127 ······</table>127 ······</table>
128 </div><div·class="memdoc">128 </div><div·class="memdoc">
  
129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d18/a01850_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../da/d18/a01850_source.html">nucleotideMapping.h</a>.</p>129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dcd/a01835_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../da/dcd/a01835_source.html">nucleotideMapping.h</a>.</p>
  
130 </div>130 </div>
131 </div>131 </div>
132 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a8fbc97778f51f7a9386365e2594cca97"·name="a8fbc97778f51f7a9386365e2594cca97"></a>133 <a·id="a8fbc97778f51f7a9386365e2594cca97"·name="a8fbc97778f51f7a9386365e2594cca97"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a8fbc97778f51f7a9386365e2594cca97">&#9670;&#160;</a></span>NucleotideMapping()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a8fbc97778f51f7a9386365e2594cca97">&#9670;&#160;</a></span>NucleotideMapping()</h2>
  
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8 <title>BALL:·cartoonModel.h·File·Reference</title>8 <title>BALL:·rrModel.h·File·Reference</title>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
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80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../da/dee/a00383_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../da/dee/a00383_source.html">Go·to·the·source·code·of·this·file.</a></p>
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80 ··<div·class="headertitle"><div·class="title">BALL::AssignBaseProcessor·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::AssignBaseProcessor·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p>Only·used·for·deriving·interface.··83 <p>Only·used·for·deriving·interface.··
84 ·<a·href="../../da/df4/a05050.html#details">More...</a></p>84 ·<a·href="../../da/df4/a05050.html#details">More...</a></p>
  
85 <p><code>#include·&lt;<a·class="el"·href="../../dd/deb/a01628_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/MOLMEC/COMMON/assignTypes.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::AssignBaseProcessor:</div>87 Inheritance·diagram·for·BALL::AssignBaseProcessor:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../da/df4/a05050.png"·usemap="#BALL::AssignBaseProcessor_map"·alt=""/>90 ··<img·src="../../da/df4/a05050.png"·usemap="#BALL::AssignBaseProcessor_map"·alt=""/>
91 ··<map·id="BALL::AssignBaseProcessor_map"·name="BALL::AssignBaseProcessor_map">91 ··<map·id="BALL::AssignBaseProcessor_map"·name="BALL::AssignBaseProcessor_map">
92 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="148,56,434,80"/>92 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Atom·&gt;"·shape="rect"·coords="148,56,434,80"/>
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148 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>Only·used·for·deriving·interface.·</p>153 <div·class="textblock"><p>Only·used·for·deriving·interface.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">assignTypes.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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157 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e43c7df4b63c01e30db060f4aa4d6cd">&#9670;&#160;</a></span>AssignBaseProcessor()</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e43c7df4b63c01e30db060f4aa4d6cd">&#9670;&#160;</a></span>AssignBaseProcessor()</h2>
  
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267 ··</tr>267 ··</tr>
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269 </div><div·class="memdoc">269 </div><div·class="memdoc">
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/deb/a01628_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dd/deb/a01628_source.html">assignTypes.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">assignTypes.h</a>.</p>
  
271 </div>271 </div>
272 </div>272 </div>
273 <a·id="a1007dcb2de9d4aaf10c2fd9f4ac89776"·name="a1007dcb2de9d4aaf10c2fd9f4ac89776"></a>273 <a·id="a1007dcb2de9d4aaf10c2fd9f4ac89776"·name="a1007dcb2de9d4aaf10c2fd9f4ac89776"></a>
274 <h2·class="memtitle"><span·class="permalink"><a·href="#a1007dcb2de9d4aaf10c2fd9f4ac89776">&#9670;&#160;</a></span>unassigned_atoms_</h2>274 <h2·class="memtitle"><span·class="permalink"><a·href="#a1007dcb2de9d4aaf10c2fd9f4ac89776">&#9670;&#160;</a></span>unassigned_atoms_</h2>
  
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288 ··</td>288 ··</td>
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74 <div·class="header">74 <div·class="header">
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 77 <a·href="#namespaces">Namespaces</a>··</div>
75 ··<div·class="headertitle"><div·class="title">solvation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">STLRenderer.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d2e/a00056_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
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79 </div>85 </div>
80 <p><a·href="../../da/df6/a01454_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../da/df6/a01454_source.html">Go·to·the·source·code·of·this·file.</a></p>
 87 <table·class="memberdecls">
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78 ··<div·class="headertitle"><div·class="title">pyServer.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">cudaVolumeRenderer.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
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82 <code>#include·&lt;QtNetwork/QTcpServer&gt;</code><br·/> 
83 <code>#include·&lt;memory&gt;</code><br·/>83 <code>#include·&lt;cudamm/cuda.hpp&gt;</code><br·/>
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85 <p><a·href="../../da/df7/a01457_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../da/df7/a01457_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
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 129 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df7/a01457_source.html#l00008">8</a>·of·file·<a·class="el"·href="../../da/df7/a01457_source.html">cudaVolumeRenderer.h</a>.</p>
  
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97 </div><!--·contents·-->132 </div><!--·contents·-->
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78 <a·href="../../da/d7d/a06615.html">List·of·all·members</a>··</div>78 <a·href="../../da/d7d/a06615.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::UhligCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/de0/a00050_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SOLVATION/uhligCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::UhligCavFreeEnergyProcessor:</div>84 Inheritance·diagram·for·BALL::UhligCavFreeEnergyProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d03/a06618.png"·usemap="#BALL::UhligCavFreeEnergyProcessor_map"·alt=""/>87 ··<img·src="../../db/d03/a06618.png"·usemap="#BALL::UhligCavFreeEnergyProcessor_map"·alt=""/>
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177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·method·proposed·by·Simonson/Bruenger,·J.·Phys.·Chem.·98:4683&ndash;4694,·1994·which·is·based·on·Uhlig,·J.·Phys.·Chem.·41(9):1215&ndash;1225,·1937.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·method·proposed·by·Simonson/Bruenger,·J.·Phys.·Chem.·98:4683&ndash;4694,·1994·which·is·based·on·Uhlig,·J.·Phys.·Chem.·41(9):1215&ndash;1225,·1937.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/de0/a00050_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d5/de0/a00050_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/da9/a01934_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../de/da9/a01934_source.html">uhligCavFreeEnergyProcessor.h</a>.</p>
180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>180 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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352 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>352 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
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355 </div>355 </div>
356 </div><!--·contents·-->356 </div><!--·contents·-->
357 <!--·start·footer·part·-->357 <!--·start·footer·part·-->
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359 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8359 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
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80 <a·href="../../d1/d3f/a06771.html">List·of·all·members</a>··</div>80 <a·href="../../d1/d3f/a06771.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Assignment_·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::Assignment_·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
87 Public·Member·Functions</h2></td></tr>87 Public·Member·Functions</h2></td></tr>
88 <tr·class="memitem:a78a9cbe01149fc6c866d6bafb4b994cd"·id="r_a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a78a9cbe01149fc6c866d6bafb4b994cd">Assignment_</a>·()</td></tr>88 <tr·class="memitem:a78a9cbe01149fc6c866d6bafb4b994cd"·id="r_a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a78a9cbe01149fc6c866d6bafb4b994cd">Assignment_</a>·()</td></tr>
89 <tr·class="separator:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a78a9cbe01149fc6c866d6bafb4b994cd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad0b338526a57aba3c51fcd5be33de5a5"·id="r_ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#ad0b338526a57aba3c51fcd5be33de5a5">Assignment_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·num_bonds)</td></tr>90 <tr·class="memitem:ad0b338526a57aba3c51fcd5be33de5a5"·id="r_ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#ad0b338526a57aba3c51fcd5be33de5a5">Assignment_</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·num_bonds)</td></tr>
91 <tr·class="separator:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ad0b338526a57aba3c51fcd5be33de5a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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128 Protected·Attributes</h2></td></tr>128 Protected·Attributes</h2></td></tr>
129 <tr·class="memitem:a9b6b085c840f5a00ee25339449f1bdef"·id="r_a9b6b085c840f5a00ee25339449f1bdef"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a9b6b085c840f5a00ee25339449f1bdef">bonds_</a></td></tr>129 <tr·class="memitem:a9b6b085c840f5a00ee25339449f1bdef"·id="r_a9b6b085c840f5a00ee25339449f1bdef"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../d4/d24/a06742.html#ac5fce435b9e75e63518bd6c6f88af5cb">BondOrder</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a06774.html#a9b6b085c840f5a00ee25339449f1bdef">bonds_</a></td></tr>
130 <tr·class="separator:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a9b6b085c840f5a00ee25339449f1bdef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><p>An·assignment·is·the·solution·of·the·bond·assignment·problem.·It·consists·of·the·penalty·of·this·solution,·and·a·vector·of·bond·values·for·each·bond.·The·bond·order·is·just·a·vector·of·bond·values.·If·you·want·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·which·maps·the·concrete·bonds·to·their·bond·value,·you·should·use·the·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·class·instead,·which·can·construct·such·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·from·an·assignment.·Nevertheless·the·index·of·the·bonds·has·a·strict·order:·Each·bond·which·points·to·atoms·with·indizes·u·and·v·can·be·represented·as·edge·(u·&lt;·v).·An·edge·is·less·than·another·edge,·is·either·it's·u·is·less,·or·if·it's·u·is·equal·to·the·other's·u·and·it's·v·is·less·than·the·other's·v.·The·indizes·of·the·atoms·is·given·by·the·graph·structure.·The·first·atom·has·index·0.·We·call·an·assignment·valid·to·a·given·UndirectedGraph·and·PenaltyMap,·if·it's·penalty·is·equal·to·the·sum·of·penalties·of·it's·atoms·in·the·given·penalty·map.·Assignments·which·was·computed·by·the·FPTBondOrder·algorithm·should·be·valid·to·the·same·graph·and·penalty·map·which·was·used·by·the·algorithm.·</p>133 <div·class="textblock"><p>An·assignment·is·the·solution·of·the·bond·assignment·problem.·It·consists·of·the·penalty·of·this·solution,·and·a·vector·of·bond·values·for·each·bond.·The·bond·order·is·just·a·vector·of·bond·values.·If·you·want·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·which·maps·the·concrete·bonds·to·their·bond·value,·you·should·use·the·<a·class="el"·href="../../d4/d24/a06742.html">FPTBondOrderStrategy</a>·class·instead,·which·can·construct·such·a·<a·class="el"·href="../../d0/de9/a03530.html"·title="HashMap·class·based·on·the·STL·map·(containing·serveral·convenience·functions)">HashMap</a>·from·an·assignment.·Nevertheless·the·index·of·the·bonds·has·a·strict·order:·Each·bond·which·points·to·atoms·with·indizes·u·and·v·can·be·represented·as·edge·(u·&lt;·v).·An·edge·is·less·than·another·edge,·is·either·it's·u·is·less,·or·if·it's·u·is·equal·to·the·other's·u·and·it's·v·is·less·than·the·other's·v.·The·indizes·of·the·atoms·is·given·by·the·graph·structure.·The·first·atom·has·index·0.·We·call·an·assignment·valid·to·a·given·UndirectedGraph·and·PenaltyMap,·if·it's·penalty·is·equal·to·the·sum·of·penalties·of·it's·atoms·in·the·given·penalty·map.·Assignments·which·was·computed·by·the·FPTBondOrder·algorithm·should·be·valid·to·the·same·graph·and·penalty·map·which·was·used·by·the·algorithm.·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00698">698</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00698">698</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="a78a9cbe01149fc6c866d6bafb4b994cd"·name="a78a9cbe01149fc6c866d6bafb4b994cd"></a>136 <a·id="a78a9cbe01149fc6c866d6bafb4b994cd"·name="a78a9cbe01149fc6c866d6bafb4b994cd"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a78a9cbe01149fc6c866d6bafb4b994cd">&#9670;&#160;</a></span>Assignment_()·<span·class="overload">[1/4]</span></h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a78a9cbe01149fc6c866d6bafb4b994cd">&#9670;&#160;</a></span>Assignment_()·<span·class="overload">[1/4]</span></h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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497 ··<td·class="mlabels-right">497 ··<td·class="mlabels-right">
498 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>498 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
499 ··</tr>499 ··</tr>
500 </table>500 </table>
501 </div><div·class="memdoc">501 </div><div·class="memdoc">
502 <p>A·vector·with·bond·values.·0·is·single·bond,·1·is·double·bond,·2·is·tripple·bond·</p>502 <p>A·vector·with·bond·values.·0·is·single·bond,·1·is·double·bond,·2·is·tripple·bond·</p>
  
503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00808">808</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>503 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00808">808</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
504 </div>504 </div>
505 </div>505 </div>
506 <a·id="ae11b37c1ba66e8e9f0eb424db18f9871"·name="ae11b37c1ba66e8e9f0eb424db18f9871"></a>506 <a·id="ae11b37c1ba66e8e9f0eb424db18f9871"·name="ae11b37c1ba66e8e9f0eb424db18f9871"></a>
507 <h2·class="memtitle"><span·class="permalink"><a·href="#ae11b37c1ba66e8e9f0eb424db18f9871">&#9670;&#160;</a></span>penalty</h2>507 <h2·class="memtitle"><span·class="permalink"><a·href="#ae11b37c1ba66e8e9f0eb424db18f9871">&#9670;&#160;</a></span>penalty</h2>
  
508 <div·class="memitem">508 <div·class="memitem">
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514 ········<tr>514 ········<tr>
515 ··········<td·class="memname"><a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>·BALL::FPTBondOrderStrategy::Assignment_::penalty</td>515 ··········<td·class="memname"><a·class="el"·href="../../d4/d24/a06742.html#aabd33cb309992fa0c8a2371a6b94f07e">Penalty</a>·BALL::FPTBondOrderStrategy::Assignment_::penalty</td>
516 ········</tr>516 ········</tr>
517 ······</table>517 ······</table>
518 </div><div·class="memdoc">518 </div><div·class="memdoc">
519 <p>The·penalty·of·this·assignment·</p>519 <p>The·penalty·of·this·assignment·</p>
  
520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00802">802</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>520 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00802">802</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
521 </div>521 </div>
522 </div>522 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">kpcrModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">interactionMode.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>82 <code>#include·&lt;QtCore/QPoint&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QSize&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../db/d08/a01028_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d08/a01028_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>89 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/de0/a05738.html">BALL::QSAR::KPCRModel</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">bindingPocketProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">connectedComponentsProcessor.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../db/dab/a00089_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;vector&gt;</code><br·/> 
89 <code>#include·&lt;string&gt;</code><br·/>84 <code>#include·&lt;boost/pending/disjoint_sets.hpp&gt;</code><br·/>
90 <code>#include·&lt;fstream&gt;</code><br·/> 
91 </div>85 </div>
92 <p><a·href="../../db/d09/a01838_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d09/a01838_source.html">Go·to·the·source·code·of·this·file.</a></p>
93 <table·class="memberdecls">87 <table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
95 Classes</h2></td></tr>89 Classes</h2></td></tr>
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d02/a06686.html">BALL::BindingPocketProcessor</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d8d/a06834.html">BALL::ConnectedComponentsProcessor</a></td></tr>
 91 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·the·connected·components·of·the·molecular·graph.··<a·href="../../d2/d8d/a06834.html#details">More...</a><br·/></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06690.html">BALL::BindingPocketProcessor::Option</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8b/a06694.html">BALL::BindingPocketProcessor::Default</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
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104 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d9c/a07307.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d9c/a07307.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SASTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SASTriangulator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a28b8fca7123bb98ada2a24356821e44d"·id="r_a28b8fca7123bb98ada2a24356821e44d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a28b8fca7123bb98ada2a24356821e44d">SASTriangulator</a>·()</td></tr>86 <tr·class="memitem:a28b8fca7123bb98ada2a24356821e44d"·id="r_a28b8fca7123bb98ada2a24356821e44d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a28b8fca7123bb98ada2a24356821e44d">SASTriangulator</a>·()</td></tr>
87 <tr·class="separator:a28b8fca7123bb98ada2a24356821e44d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a28b8fca7123bb98ada2a24356821e44d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aadb17abe12628ae2a18d25cca49c87dd"·id="r_aadb17abe12628ae2a18d25cca49c87dd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#aadb17abe12628ae2a18d25cca49c87dd">SASTriangulator</a>·(<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·*tsas)</td></tr>88 <tr·class="memitem:aadb17abe12628ae2a18d25cca49c87dd"·id="r_aadb17abe12628ae2a18d25cca49c87dd"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#aadb17abe12628ae2a18d25cca49c87dd">SASTriangulator</a>·(<a·class="el"·href="../../d0/d35/a07306.html">TriangulatedSAS</a>·*tsas)</td></tr>
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107 <tr·class="memitem:a65b41f6a9635fc553a3fc750d3946948"·id="r_a65b41f6a9635fc553a3fc750d3946948"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a65b41f6a9635fc553a3fc750d3946948">run</a>·()</td></tr>107 <tr·class="memitem:a65b41f6a9635fc553a3fc750d3946948"·id="r_a65b41f6a9635fc553a3fc750d3946948"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d09/a07310.html#a65b41f6a9635fc553a3fc750d3946948">run</a>·()</td></tr>
108 <tr·class="separator:a65b41f6a9635fc553a3fc750d3946948"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:a65b41f6a9635fc553a3fc750d3946948"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock"><p>Generic·<a·class="el"·href="../../db/d09/a07310.html">SASTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>111 <div·class="textblock"><p>Generic·<a·class="el"·href="../../db/d09/a07310.html">SASTriangulator</a>·Class.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
112 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>112 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00160">160</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>114 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
115 <a·id="a28b8fca7123bb98ada2a24356821e44d"·name="a28b8fca7123bb98ada2a24356821e44d"></a>115 <a·id="a28b8fca7123bb98ada2a24356821e44d"·name="a28b8fca7123bb98ada2a24356821e44d"></a>
116 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b8fca7123bb98ada2a24356821e44d">&#9670;&#160;</a></span>SASTriangulator()·<span·class="overload">[1/2]</span></h2>116 <h2·class="memtitle"><span·class="permalink"><a·href="#a28b8fca7123bb98ada2a24356821e44d">&#9670;&#160;</a></span>SASTriangulator()·<span·class="overload">[1/2]</span></h2>
  
117 <div·class="memitem">117 <div·class="memitem">
118 <div·class="memproto">118 <div·class="memproto">
119 ······<table·class="memname">119 ······<table·class="memname">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00244">244</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="a5452a265f96391ba01a01866ba92aa1a"·name="a5452a265f96391ba01a01866ba92aa1a"></a>225 <a·id="a5452a265f96391ba01a01866ba92aa1a"·name="a5452a265f96391ba01a01866ba92aa1a"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#a5452a265f96391ba01a01866ba92aa1a">&#9670;&#160;</a></span>sqrt_density_</h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a5452a265f96391ba01a01866ba92aa1a">&#9670;&#160;</a></span>sqrt_density_</h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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240 ··</td>240 ··</td>
241 ··<td·class="mlabels-right">241 ··<td·class="mlabels-right">
242 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>242 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
243 ··</tr>243 ··</tr>
244 </table>244 </table>
245 </div><div·class="memdoc">245 </div><div·class="memdoc">
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00242">242</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
247 </div>247 </div>
248 </div>248 </div>
249 <a·id="a31716e3b49cd6185582e2ebdc4d77007"·name="a31716e3b49cd6185582e2ebdc4d77007"></a>249 <a·id="a31716e3b49cd6185582e2ebdc4d77007"·name="a31716e3b49cd6185582e2ebdc4d77007"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#a31716e3b49cd6185582e2ebdc4d77007">&#9670;&#160;</a></span>template_spheres_</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#a31716e3b49cd6185582e2ebdc4d77007">&#9670;&#160;</a></span>template_spheres_</h2>
  
251 <div·class="memitem">251 <div·class="memitem">
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264 ··</td>264 ··</td>
265 ··<td·class="mlabels-right">265 ··<td·class="mlabels-right">
266 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>266 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
267 ··</tr>267 ··</tr>
268 </table>268 </table>
269 </div><div·class="memdoc">269 </div><div·class="memdoc">
  
270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>270 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00246">246</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
271 </div>271 </div>
272 </div>272 </div>
273 <a·id="a14e7a67c674ad4c4bfd89d121a717a65"·name="a14e7a67c674ad4c4bfd89d121a717a65"></a>273 <a·id="a14e7a67c674ad4c4bfd89d121a717a65"·name="a14e7a67c674ad4c4bfd89d121a717a65"></a>
274 <h2·class="memtitle"><span·class="permalink"><a·href="#a14e7a67c674ad4c4bfd89d121a717a65">&#9670;&#160;</a></span>tsas_</h2>274 <h2·class="memtitle"><span·class="permalink"><a·href="#a14e7a67c674ad4c4bfd89d121a717a65">&#9670;&#160;</a></span>tsas_</h2>
  
275 <div·class="memitem">275 <div·class="memitem">
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288 ··</td>288 ··</td>
289 ··<td·class="mlabels-right">289 ··<td·class="mlabels-right">
290 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>290 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
291 ··</tr>291 ··</tr>
292 </table>292 </table>
293 </div><div·class="memdoc">293 </div><div·class="memdoc">
  
294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">triangulatedSAS.h</a>.</p>294 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd5/a01742_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../d1/dd5/a01742_source.html">triangulatedSAS.h</a>.</p>
  
295 </div>295 </div>
296 </div>296 </div>
297 </div><!--·contents·-->297 </div><!--·contents·-->
298 <!--·start·footer·part·-->298 <!--·start·footer·part·-->
299 <hr·class="footer"/><address·class="footer"><small>299 <hr·class="footer"/><address·class="footer"><small>
300 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8300 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
98 Macros</h2></td></tr>98 Macros</h2></td></tr>
99 <tr·class="memitem:ga7531fd77ac8e175306413c4539a10c01"·id="r_ga7531fd77ac8e175306413c4539a10c01"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#ga7531fd77ac8e175306413c4539a10c01">BALL_CREATE_DEEP</a>(name)</td></tr>99 <tr·class="memitem:ga7531fd77ac8e175306413c4539a10c01"·id="r_ga7531fd77ac8e175306413c4539a10c01"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#ga7531fd77ac8e175306413c4539a10c01">BALL_CREATE_DEEP</a>(name)</td></tr>
100 <tr·class="separator:ga7531fd77ac8e175306413c4539a10c01"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:ga7531fd77ac8e175306413c4539a10c01"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table><table·class="memberdecls">101 </table><table·class="memberdecls">
102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>102 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
103 Functions</h2></td></tr>103 Functions</h2></td></tr>
104 <tr·class="memitem:gaf73c267100bd1af5e03115ee74b79f90"·id="r_gaf73c267100bd1af5e03115ee74b79f90"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#gaf73c267100bd1af5e03115ee74b79f90">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·&amp;e)</td></tr>104 <tr·class="memitem:gaf73c267100bd1af5e03115ee74b79f90"·id="r_gaf73c267100bd1af5e03115ee74b79f90"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#gaf73c267100bd1af5e03115ee74b79f90">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·&amp;e)</td></tr>
105 <tr·class="separator:gaf73c267100bd1af5e03115ee74b79f90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:gaf73c267100bd1af5e03115ee74b79f90"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:ga25b56391c773bad0946e5ddf7211f59d"·id="r_ga25b56391c773bad0946e5ddf7211f59d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#ga25b56391c773bad0946e5ddf7211f59d">BALL::streamClassName</a>·(const·std::type_info·&amp;t)</td></tr>106 <tr·class="memitem:ga25b56391c773bad0946e5ddf7211f59d"·id="r_ga25b56391c773bad0946e5ddf7211f59d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d0e/a02124.html#ga25b56391c773bad0946e5ddf7211f59d">BALL::streamClassName</a>·(const·std::type_info·&amp;t)</td></tr>
107 <tr·class="separator:ga25b56391c773bad0946e5ddf7211f59d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:ga25b56391c773bad0946e5ddf7211f59d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <p>This·chapter·contains·all·relevant·information·on·very·fundamental·definitions·and·classes·used·throughout·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·(part·of·the·<b>·Foundation·Classes</b>).·</p>110 <p>This·chapter·contains·all·relevant·information·on·very·fundamental·definitions·and·classes·used·throughout·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·(part·of·the·<b>·Foundation·Classes</b>).·</p>
111 <h2·class="groupheader">Macro·Definition·Documentation</h2>111 <h2·class="groupheader">Macro·Definition·Documentation</h2>
112 <a·id="ga7531fd77ac8e175306413c4539a10c01"·name="ga7531fd77ac8e175306413c4539a10c01"></a>112 <a·id="ga7531fd77ac8e175306413c4539a10c01"·name="ga7531fd77ac8e175306413c4539a10c01"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#ga7531fd77ac8e175306413c4539a10c01">&#9670;&#160;</a></span>BALL_CREATE_DEEP</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#ga7531fd77ac8e175306413c4539a10c01">&#9670;&#160;</a></span>BALL_CREATE_DEEP</h2>
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149 <dl·class="params"><dt>Parameters</dt><dd>149 <dl·class="params"><dt>Parameters</dt><dd>
150 ··<table·class="params">150 ··<table·class="params">
151 ····<tr><td·class="paramname">name</td><td>the·class·name·</td></tr>151 ····<tr><td·class="paramname">name</td><td>the·class·name·</td></tr>
152 ··</table>152 ··</table>
153 ··</dd>153 ··</dd>
154 </dl>154 </dl>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/df2/a01175_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d6/df2/a01175_source.html">create.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc0/a00611_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dd/dc0/a00611_source.html">create.h</a>.</p>
  
156 </div>156 </div>
157 </div>157 </div>
158 <h2·class="groupheader">Function·Documentation</h2>158 <h2·class="groupheader">Function·Documentation</h2>
159 <a·id="gaf73c267100bd1af5e03115ee74b79f90"·name="gaf73c267100bd1af5e03115ee74b79f90"></a>159 <a·id="gaf73c267100bd1af5e03115ee74b79f90"·name="gaf73c267100bd1af5e03115ee74b79f90"></a>
160 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf73c267100bd1af5e03115ee74b79f90">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>160 <h2·class="memtitle"><span·class="permalink"><a·href="#gaf73c267100bd1af5e03115ee74b79f90">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
161 <div·class="memitem">161 <div·class="memitem">
162 <div·class="memproto">162 <div·class="memproto">
163 ······<table·class="memname">163 ······<table·class="memname">
164 ········<tr>164 ········<tr>
165 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;·BALL::operator&lt;&lt;·</td>165 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;·BALL::operator&lt;&lt;·</td>
166 ··········<td>(</td>166 ··········<td>(</td>
167 ··········<td·class="paramtype">std::ostream·&amp;&#160;</td>167 ··········<td·class="paramtype">std::ostream·&amp;&#160;</td>
168 ··········<td·class="paramname"><em>os</em>,·</td>168 ··········<td·class="paramname"><em>os</em>,·</td>
169 ········</tr>169 ········</tr>
170 ········<tr>170 ········<tr>
171 ··········<td·class="paramkey"></td>171 ··········<td·class="paramkey"></td>
172 ··········<td></td>172 ··········<td></td>
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198 <h2·class="memtitle"><span·class="permalink"><a·href="#ga25b56391c773bad0946e5ddf7211f59d">&#9670;&#160;</a></span>streamClassName()</h2>198 <h2·class="memtitle"><span·class="permalink"><a·href="#ga25b56391c773bad0946e5ddf7211f59d">&#9670;&#160;</a></span>streamClassName()</h2>
  
199 <div·class="memitem">199 <div·class="memitem">
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201 ······<table·class="memname">201 ······<table·class="memname">
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203 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·string·BALL::streamClassName·</td>203 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·string·BALL::streamClassName·</td>
204 ··········<td>(</td>204 ··········<td>(</td>
205 ··········<td·class="paramtype">const·std::type_info·&amp;&#160;</td>205 ··········<td·class="paramtype">const·std::type_info·&amp;&#160;</td>
206 ··········<td·class="paramname"><em>t</em></td><td>)</td>206 ··········<td·class="paramname"><em>t</em></td><td>)</td>
207 ··········<td></td>207 ··········<td></td>
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209 ······</table>209 ······</table>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d65/a07387.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d65/a07387.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;:</div>84 Inheritance·diagram·for·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d0e/a07390.png"·usemap="#BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>87 ··<img·src="../../db/d0e/a07390.png"·usemap="#BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>
88 ··<map·id="BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map">88 ··<map·id="BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TWriteLocker_3C_20WriteLockerType_2C_20ReadWriteLockType_20_3E_map">
89 <area·href="../../d6/d47/a20034.html"·alt="WriteLockerType"·shape="rect"·coords="0,0,366,24"/>89 <area·href="../../d6/d47/a20034.html"·alt="WriteLockerType"·shape="rect"·coords="0,0,366,24"/>
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97 <tr·class="separator:ad613d17abb8fca0b85b064fc3aeaba8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:ad613d17abb8fca0b85b064fc3aeaba8e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d6/d47/a20034.html">WriteLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../d6/d47/a20034.html">WriteLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
101 class·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·write-locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QWriteLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>101 class·BALL::TWriteLocker&lt;·WriteLockerType,·ReadWriteLockType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·write-locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QWriteLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>
102 <p>A·BALL-mutex·write-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·write,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>102 <p>A·BALL-mutex·write-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·write,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="ad613d17abb8fca0b85b064fc3aeaba8e"·name="ad613d17abb8fca0b85b064fc3aeaba8e"></a>105 <a·id="ad613d17abb8fca0b85b064fc3aeaba8e"·name="ad613d17abb8fca0b85b064fc3aeaba8e"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#ad613d17abb8fca0b85b064fc3aeaba8e">&#9670;&#160;</a></span>TWriteLocker()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#ad613d17abb8fca0b85b064fc3aeaba8e">&#9670;&#160;</a></span>TWriteLocker()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <div·class="memtemplate">109 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
129 </table>129 </table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
134 </div><!--·contents·-->134 </div><!--·contents·-->
135 <!--·start·footer·part·-->135 <!--·start·footer·part·-->
136 <hr·class="footer"/><address·class="footer"><small>136 <hr·class="footer"/><address·class="footer"><small>
137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·genericControl.h·File·Reference</title>8 <title>BALL:·kernelModel.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">genericControl.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">kernelModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d27/a00392_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/dd7/a20338_source.html">BALL/QSAR/kernel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/> 
83 <code>#include·&lt;QtWidgets/QTreeWidget&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QList&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../db/d10/a00350_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/d10/a00350_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>88 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc6/a08386.html">BALL::VIEW::TreeWidget</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dff/a08390.html">BALL::VIEW::GenericControl</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dd1/a05730.html">BALL::QSAR::KernelModel</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>98 </table>
103 </div><!--·contents·-->99 </div><!--·contents·-->
104 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
107 </small></address>103 </small></address>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d6/db7/a03903.html">List·of·all·members</a>··</div>78 <a·href="../../d6/db7/a03903.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::GAMESSLogFile::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAMESSLogFile::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01328_source.html">BALL/FORMAT/GAMESSLogFile.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddc/a00917_source.html">BALL/FORMAT/GAMESSLogFile.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ab2a9f28566b272ed84edca324586332f"·id="r_ab2a9f28566b272ed84edca324586332f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html#ab2a9f28566b272ed84edca324586332f">current_parser</a></td></tr>86 <tr·class="memitem:ab2a9f28566b272ed84edca324586332f"·id="r_ab2a9f28566b272ed84edca324586332f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d10/a03906.html#ab2a9f28566b272ed84edca324586332f">current_parser</a></td></tr>
87 <tr·class="separator:ab2a9f28566b272ed84edca324586332f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab2a9f28566b272ed84edca324586332f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../db/d10/a03906.html">State</a>·of·the·parser·</p>90 <div·class="textblock"><p><a·class="el"·href="../../db/d10/a03906.html">State</a>·of·the·parser·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">GAMESSLogFile.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">GAMESSLogFile.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="ab2a9f28566b272ed84edca324586332f"·name="ab2a9f28566b272ed84edca324586332f"></a>93 <a·id="ab2a9f28566b272ed84edca324586332f"·name="ab2a9f28566b272ed84edca324586332f"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2a9f28566b272ed84edca324586332f">&#9670;&#160;</a></span>current_parser</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#ab2a9f28566b272ed84edca324586332f">&#9670;&#160;</a></span>current_parser</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
98 ········<tr>98 ········<tr>
99 ··········<td·class="memname"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>*·BALL::GAMESSLogFile::State::current_parser</td>99 ··········<td·class="memname"><a·class="el"·href="../../d9/d7a/a03902.html">GAMESSLogFile</a>*·BALL::GAMESSLogFile::State::current_parser</td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">GAMESSLogFile.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddc/a00917_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/ddc/a00917_source.html">GAMESSLogFile.h</a>.</p>
  
104 </div>104 </div>
105 </div>105 </div>
106 </div><!--·contents·-->106 </div><!--·contents·-->
107 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../df/d3b/a07507.html">List·of·all·members</a>··</div>77 <a·href="../../df/d3b/a07507.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Vertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/df5/a00137_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a01352_source.html">BALL/VIEW/DATATYPE/vertex1.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Vertex:</div>83 Inheritance·diagram·for·BALL::VIEW::Vertex:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/d12/a07510.png"·usemap="#BALL::VIEW::Vertex_map"·alt=""/>86 ··<img·src="../../db/d12/a07510.png"·usemap="#BALL::VIEW::Vertex_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Vertex_map"·name="BALL::VIEW::Vertex_map">87 ··<map·id="BALL::VIEW::Vertex_map"·name="BALL::VIEW::Vertex_map">
88 <area·href="../../d2/d8c/a08170.html"·alt="BALL::VIEW::Label"·shape="rect"·coords="0,56,123,80"/>88 <area·href="../../d2/d8c/a08170.html"·alt="BALL::VIEW::Label"·shape="rect"·coords="0,56,123,80"/>
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138 <tr·class="separator:ae71c9659c1797275a7f22498b645fedb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:ae71c9659c1797275a7f22498b645fedb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a9fd503acebd44adf420c2893b2bcbc51"·id="r_a9fd503acebd44adf420c2893b2bcbc51"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d12/a07510.html#a9fd503acebd44adf420c2893b2bcbc51">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>139 <tr·class="memitem:a9fd503acebd44adf420c2893b2bcbc51"·id="r_a9fd503acebd44adf420c2893b2bcbc51"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d12/a07510.html#a9fd503acebd44adf420c2893b2bcbc51">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
140 <tr·class="separator:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a9fd503acebd44adf420c2893b2bcbc51"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·a·single·vertex.·It·provides·the·derived·class·with·methods·for·accessing·that·vertex.·Further·there·is·the·possibility·to·give·an·address·to·a·vector·Vector3·as·vertex.·So·if·the·value·of·that·given·vector·changes·the·value·of·this·vertex·changes·as·well.·To·avoid·segmentation·faults·this·vector·address·must·be·valid·as·long·as·this·vertex·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>143 <div·class="textblock"><p><a·class="el"·href="../../db/d12/a07510.html">Vertex</a>·is·a·base·class·for·all·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·'s·that·have·a·single·vertex.·It·provides·the·derived·class·with·methods·for·accessing·that·vertex.·Further·there·is·the·possibility·to·give·an·address·to·a·vector·Vector3·as·vertex.·So·if·the·value·of·that·given·vector·changes·the·value·of·this·vertex·changes·as·well.·To·avoid·segmentation·faults·this·vector·address·must·be·valid·as·long·as·this·vertex·exists.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/df5/a00137_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/df5/a00137_source.html">vertex1.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a01352_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d0/d85/a01352_source.html">vertex1.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="acac82c914c3cfc72e4201caed5155a9e"·name="acac82c914c3cfc72e4201caed5155a9e"></a>146 <a·id="acac82c914c3cfc72e4201caed5155a9e"·name="acac82c914c3cfc72e4201caed5155a9e"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#acac82c914c3cfc72e4201caed5155a9e">&#9670;&#160;</a></span>Vertex()·<span·class="overload">[1/2]</span></h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#acac82c914c3cfc72e4201caed5155a9e">&#9670;&#160;</a></span>Vertex()·<span·class="overload">[1/2]</span></h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">flexibleMolecule.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">VIEWPlugin.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/KERNEL/forEach.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01163_source.html">BALL/DOCKING/COMMON/conformation.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;iostream&gt;</code><br·/>82 <code>#include·&lt;QtCore/QString&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>
 84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
88 </div>85 </div>
89 <p><a·href="../../db/d17/a01148_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d17/a01148_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">87 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
92 Classes</h2></td></tr>89 Classes</h2></td></tr>
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98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
100 </table><table·class="memberdecls"> 
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
102 Typedefs</h2></td></tr> 
103 <tr·class="memitem:ab1c8a3cac59d926f4f67100682962b5c"·id="r_ab1c8a3cac59d926f4f67100682962b5c"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d6/de6/a03666.html">FlexibleMolecule</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab1c8a3cac59d926f4f67100682962b5c">BALL::Ligand</a></td></tr> 
104 <tr·class="separator:ab1c8a3cac59d926f4f67100682962b5c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>101 </table>
106 </div><!--·contents·-->102 </div><!--·contents·-->
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66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">JCAMPFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modelSettingsDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d39/a01271_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;BALL/VIEW/UIC/ui_modelSettingsDialog.h&gt;</code><br·/>
 86 <code>#include·&lt;QtWidgets/QCheckBox&gt;</code><br·/>
 87 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/>
83 </div>88 </div>
84 <p><a·href="../../db/d1c/a01229_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../db/d1c/a01229_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">90 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>92 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc4/a03938.html">BALL::JCAMPFile</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d69/a07650.html">BALL::VIEW::ModelSettingsDialog</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/ded/a03942.html">BALL::JCAMPFile::JCAMPValue</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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97 </table>102 </table>
98 </div><!--·contents·-->103 </div><!--·contents·-->
99 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
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103 </body>108 </body>
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8 <title>BALL:·ldaModel.h·File·Reference</title>8 <title>BALL:·trajectoryFileFactory.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">ldaModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">trajectoryFileFactory.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../db/d20/a00980_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../db/d20/a00980_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>86 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d55/a05750.html">BALL::QSAR::LDAModel</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1f/a04450.html">BALL::TrajectoryFileFactory</a></td></tr>
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91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/ddd/a05031.html">List·of·all·members</a>··</div>77 <a·href="../../de/ddd/a05031.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::CharmmNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::CharmmNonBonded·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d0c/a01532_source.html">BALL/MOLMEC/CHARMM/charmmNonBonded.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2d/a00047_source.html">BALL/MOLMEC/CHARMM/charmmNonBonded.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::CharmmNonBonded:</div>83 Inheritance·diagram·for·BALL::CharmmNonBonded:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/d20/a05034.png"·usemap="#BALL::CharmmNonBonded_map"·alt=""/>86 ··<img·src="../../db/d20/a05034.png"·usemap="#BALL::CharmmNonBonded_map"·alt=""/>
87 ··<map·id="BALL::CharmmNonBonded_map"·name="BALL::CharmmNonBonded_map">87 ··<map·id="BALL::CharmmNonBonded_map"·name="BALL::CharmmNonBonded_map">
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249 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>249 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
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251 </table>251 </table>
252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
253 <div·class="textblock"><p>Charmm·NonBonded·component.·This·force·field·component·implements·the·non-bonded·interactions·in·the·CHARMM·force·field:·van-der-Waals·interaction,·electrostatics,·and·solvation·(in·EEF1·only).·</p>253 <div·class="textblock"><p>Charmm·NonBonded·component.·This·force·field·component·implements·the·non-bonded·interactions·in·the·CHARMM·force·field:·van-der-Waals·interaction,·electrostatics,·and·solvation·(in·EEF1·only).·</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">charmmNonBonded.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">charmmNonBonded.h</a>.</p>
255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
256 <a·id="abade7707a9a40033d3ddcae0a5708652"·name="abade7707a9a40033d3ddcae0a5708652"></a>256 <a·id="abade7707a9a40033d3ddcae0a5708652"·name="abade7707a9a40033d3ddcae0a5708652"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#abade7707a9a40033d3ddcae0a5708652">&#9670;&#160;</a></span>CharmmNonBonded()·<span·class="overload">[1/3]</span></h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#abade7707a9a40033d3ddcae0a5708652">&#9670;&#160;</a></span>CharmmNonBonded()·<span·class="overload">[1/3]</span></h2>
  
258 <div·class="memitem">258 <div·class="memitem">
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645 ··</td>645 ··</td>
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648 ··</tr>648 ··</tr>
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650 </div><div·class="memdoc">650 </div><div·class="memdoc">
  
651 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">charmmNonBonded.h</a>.</p>651 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">charmmNonBonded.h</a>.</p>
  
652 </div>652 </div>
653 </div>653 </div>
654 <a·id="a88b11f2208a9288f92a146d11629caf9"·name="a88b11f2208a9288f92a146d11629caf9"></a>654 <a·id="a88b11f2208a9288f92a146d11629caf9"·name="a88b11f2208a9288f92a146d11629caf9"></a>
655 <h2·class="memtitle"><span·class="permalink"><a·href="#a88b11f2208a9288f92a146d11629caf9">&#9670;&#160;</a></span>solvation_energy_</h2>655 <h2·class="memtitle"><span·class="permalink"><a·href="#a88b11f2208a9288f92a146d11629caf9">&#9670;&#160;</a></span>solvation_energy_</h2>
  
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669 ··</td>669 ··</td>
670 ··<td·class="mlabels-right">670 ··<td·class="mlabels-right">
671 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>671 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
672 ··</tr>672 ··</tr>
673 </table>673 </table>
674 </div><div·class="memdoc">674 </div><div·class="memdoc">
  
675 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">charmmNonBonded.h</a>.</p>675 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">charmmNonBonded.h</a>.</p>
  
676 </div>676 </div>
677 </div>677 </div>
678 <a·id="a431c3b266225ae32a36f61f92425ed2d"·name="a431c3b266225ae32a36f61f92425ed2d"></a>678 <a·id="a431c3b266225ae32a36f61f92425ed2d"·name="a431c3b266225ae32a36f61f92425ed2d"></a>
679 <h2·class="memtitle"><span·class="permalink"><a·href="#a431c3b266225ae32a36f61f92425ed2d">&#9670;&#160;</a></span>vdw_energy_</h2>679 <h2·class="memtitle"><span·class="permalink"><a·href="#a431c3b266225ae32a36f61f92425ed2d">&#9670;&#160;</a></span>vdw_energy_</h2>
  
680 <div·class="memitem">680 <div·class="memitem">
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693 ··</td>693 ··</td>
694 ··<td·class="mlabels-right">694 ··<td·class="mlabels-right">
695 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>695 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
696 ··</tr>696 ··</tr>
697 </table>697 </table>
698 </div><div·class="memdoc">698 </div><div·class="memdoc">
  
699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">charmmNonBonded.h</a>.</p>699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2d/a00047_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d6/d2d/a00047_source.html">charmmNonBonded.h</a>.</p>
  
700 </div>700 </div>
701 </div>701 </div>
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66 </div>66 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">logitModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">interactionModeManager.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;list&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../db/d23/a01025_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/d23/a01025_source.html">Go·to·the·source·code·of·this·file.</a></p>
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94 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/dae/a08095.html">List·of·all·members</a>··</div>78 <a·href="../../d2/dae/a08095.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomChargeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AtomChargeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::AtomChargeColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::AtomChargeColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d24/a08098.png"·usemap="#BALL::VIEW::AtomChargeColorProcessor_map"·alt=""/>87 ··<img·src="../../db/d24/a08098.png"·usemap="#BALL::VIEW::AtomChargeColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::AtomChargeColorProcessor_map"·name="BALL::VIEW::AtomChargeColorProcessor_map">88 ··<map·id="BALL::VIEW::AtomChargeColorProcessor_map"·name="BALL::VIEW::AtomChargeColorProcessor_map">
89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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275 </table>275 </table>
276 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>276 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
277 <div·class="textblock"><p><a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·class.·The·class·<a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·There·can·be·set·three·colors·for·the·charge·boundaries.·A·color·for·a·negative·charge·(charge·=·-1),·a·color·for·the·neutral·charge·(charge·=·0)·and·a·color·for·the·positive·charge·(charge·=·+1).·If·a·charge·lies·between·these·boundaries·the·resulting·color·will·be·interpolated·according·to·the·charge.·If·a·charge·is·greater·than·+1·or·lower·than·-1·it·will·be·set·to·+1·or·-1.·</p>277 <div·class="textblock"><p><a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·class.·The·class·<a·class="el"·href="../../db/d24/a08098.html">AtomChargeColorProcessor</a>·is·derived·from·the·class·<a·class="el"·href="../../db/d56/a08042.html">ColorProcessor</a>.·There·can·be·set·three·colors·for·the·charge·boundaries.·A·color·for·a·negative·charge·(charge·=·-1),·a·color·for·the·neutral·charge·(charge·=·0)·and·a·color·for·the·positive·charge·(charge·=·+1).·If·a·charge·lies·between·these·boundaries·the·resulting·color·will·be·interpolated·according·to·the·charge.·If·a·charge·is·greater·than·+1·or·lower·than·-1·it·will·be·set·to·+1·or·-1.·</p>
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00264">264</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
279 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>279 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
280 <a·id="a8cb240fdfcaef8b5f11a00892da5f631"·name="a8cb240fdfcaef8b5f11a00892da5f631"></a>280 <a·id="a8cb240fdfcaef8b5f11a00892da5f631"·name="a8cb240fdfcaef8b5f11a00892da5f631"></a>
281 <h2·class="memtitle"><span·class="permalink"><a·href="#a8cb240fdfcaef8b5f11a00892da5f631">&#9670;&#160;</a></span>AtomChargeColorProcessor()·<span·class="overload">[1/2]</span></h2>281 <h2·class="memtitle"><span·class="permalink"><a·href="#a8cb240fdfcaef8b5f11a00892da5f631">&#9670;&#160;</a></span>AtomChargeColorProcessor()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·dockResult.h·File·Reference</title>8 <title>BALL:·testFramework.h·File·Reference</title>
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">dockResult.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">testFramework.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../db/d28/a01133_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d28/a01133_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>89 Classes</h2></td></tr>
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102 Functions</h2></td></tr> 
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106 <tr·class="separator:a507f70edb35041dea4ac786e1c524893"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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110 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
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79 </div><!--header-->79 </div><!--header-->
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84 <p><a·href="../../db/d29/a01895_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../db/d29/a01895_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">BALL::AnisotropyShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AnisotropyShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d27/a01043_source.html">BALL/NMR/anisotropyShiftProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/NMR/anisotropyShiftProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
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84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
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188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>188 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
189 <div·class="textblock"><p>Shift·assignment·processor·implementing·Anisotropy.·&lt;&gt;·</p>189 <div·class="textblock"><p>Shift·assignment·processor·implementing·Anisotropy.·&lt;&gt;·</p>
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">anisotropyShiftProcessor.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
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192 <a·id="a70930d6fb007be42e227887c9c41699a"·name="a70930d6fb007be42e227887c9c41699a"></a>192 <a·id="a70930d6fb007be42e227887c9c41699a"·name="a70930d6fb007be42e227887c9c41699a"></a>
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387 </div>387 </div>
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414 <h2·class="memtitle"><span·class="permalink"><a·href="#a840c2ea665b62b826ecedf58d010c801">&#9670;&#160;</a></span>ignore_other_chain_</h2>414 <h2·class="memtitle"><span·class="permalink"><a·href="#a840c2ea665b62b826ecedf58d010c801">&#9670;&#160;</a></span>ignore_other_chain_</h2>
  
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434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">anisotropyShiftProcessor.h</a>.</p>434 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
435 </div>435 </div>
436 </div>436 </div>
437 <a·id="aa1e274a2aa04af460442843fd887a254"·name="aa1e274a2aa04af460442843fd887a254"></a>437 <a·id="aa1e274a2aa04af460442843fd887a254"·name="aa1e274a2aa04af460442843fd887a254"></a>
438 <h2·class="memtitle"><span·class="permalink"><a·href="#aa1e274a2aa04af460442843fd887a254">&#9670;&#160;</a></span>PROPERTY__ANISOTROPY_SHIFT</h2>438 <h2·class="memtitle"><span·class="permalink"><a·href="#aa1e274a2aa04af460442843fd887a254">&#9670;&#160;</a></span>PROPERTY__ANISOTROPY_SHIFT</h2>
  
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458 <p>A·symbolic·name·for·the·electric·field·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>458 <p>A·symbolic·name·for·the·electric·field·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>
  
459 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">anisotropyShiftProcessor.h</a>.</p>459 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
460 </div>460 </div>
461 </div>461 </div>
462 <a·id="a02cc28bbc1174d2ff3c65f9506b319ad"·name="a02cc28bbc1174d2ff3c65f9506b319ad"></a>462 <a·id="a02cc28bbc1174d2ff3c65f9506b319ad"·name="a02cc28bbc1174d2ff3c65f9506b319ad"></a>
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464 <div·class="memitem">464 <div·class="memitem">
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477 ··</td>477 ··</td>
478 ··<td·class="mlabels-right">478 ··<td·class="mlabels-right">
479 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>479 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
480 ··</tr>480 ··</tr>
481 </table>481 </table>
482 </div><div·class="memdoc">482 </div><div·class="memdoc">
  
483 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d27/a01043_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d8/d27/a01043_source.html">anisotropyShiftProcessor.h</a>.</p>483 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">anisotropyShiftProcessor.h</a>.</p>
  
484 </div>484 </div>
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78 ··<div·class="headertitle"><div·class="title">BALL::CharmmImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::CharmmImproperTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
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81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/MOLMEC/CHARMM/charmmImproperTorsion.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/df9/a00044_source.html">BALL/MOLMEC/CHARMM/charmmImproperTorsion.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::CharmmImproperTorsion:</div>83 Inheritance·diagram·for·BALL::CharmmImproperTorsion:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/d35/a05030.png"·usemap="#BALL::CharmmImproperTorsion_map"·alt=""/>86 ··<img·src="../../db/d35/a05030.png"·usemap="#BALL::CharmmImproperTorsion_map"·alt=""/>
87 ··<map·id="BALL::CharmmImproperTorsion_map"·name="BALL::CharmmImproperTorsion_map">87 ··<map·id="BALL::CharmmImproperTorsion_map"·name="BALL::CharmmImproperTorsion_map">
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227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>227 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
228 </table>228 </table>
229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
230 <div·class="textblock"><p>Charmm·improper·torsion·component.·The·CHARMM·force·field·employs·a·harmonic·out-of-plane·potential·for·improper·torsions.·An·imporper·torsion·is·defined·for·four·atoms·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·where·<em>·A·</em>·is·the·central·atom·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·are·bound·to.·</p><dl·class="section·user"><dt></dt><dd>The·out-of-plane-angle·<b>·phi·</b>·is·defined·as·the·angle·between·the·planes·defined·by·<em>·ABC·</em>·and·<em>·BCD·</em>.·The·improper·torsion·energy·$E_{imp}$·is·then·defined·as·$·E_{imp}·=·k·(\theta·-·\theta_0)^2·$·where·$k$·and·$\theta_0$·are·constants·read·from·the·parameter·section·and·depend·on·the·atom·types·of·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>.·</dd></dl>230 <div·class="textblock"><p>Charmm·improper·torsion·component.·The·CHARMM·force·field·employs·a·harmonic·out-of-plane·potential·for·improper·torsions.·An·imporper·torsion·is·defined·for·four·atoms·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·where·<em>·A·</em>·is·the·central·atom·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>·are·bound·to.·</p><dl·class="section·user"><dt></dt><dd>The·out-of-plane-angle·<b>·phi·</b>·is·defined·as·the·angle·between·the·planes·defined·by·<em>·ABC·</em>·and·<em>·BCD·</em>.·The·improper·torsion·energy·$E_{imp}$·is·then·defined·as·$·E_{imp}·=·k·(\theta·-·\theta_0)^2·$·where·$k$·and·$\theta_0$·are·constants·read·from·the·parameter·section·and·depend·on·the·atom·types·of·<em>·A·</em>,·<em>·B·</em>,·<em>·C·</em>,·and·<em>·D·</em>.·</dd></dl>
231 <dl·class="section·user"><dt></dt><dd></dd></dl>231 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">charmmImproperTorsion.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df9/a00044_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d5/df9/a00044_source.html">charmmImproperTorsion.h</a>.</p>
233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
234 <a·id="af1905294765a2c5866d52b325e53614a"·name="af1905294765a2c5866d52b325e53614a"></a>234 <a·id="af1905294765a2c5866d52b325e53614a"·name="af1905294765a2c5866d52b325e53614a"></a>
235 <h2·class="memtitle"><span·class="permalink"><a·href="#af1905294765a2c5866d52b325e53614a">&#9670;&#160;</a></span>CharmmImproperTorsion()·<span·class="overload">[1/3]</span></h2>235 <h2·class="memtitle"><span·class="permalink"><a·href="#af1905294765a2c5866d52b325e53614a">&#9670;&#160;</a></span>CharmmImproperTorsion()·<span·class="overload">[1/3]</span></h2>
  
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
72 </div>72 </div>
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78 ··<div·class="headertitle"><div·class="title">deviceEvent.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">structure.h·File·Reference</div></div>
79 </div><!--header-->76 </div><!--header-->
80 <div·class="contents">77 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d3e/a01676_source.html">BALL/STRUCTURE/analyticalSES.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtCore/QEvent&gt;</code><br·/>79 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/>
 80 <code>#include·&lt;<a·class="el"·href="../../df/d9a/a01715_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/>
 81 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/STRUCTURE/numericalSAS.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/residueChecker.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code><br·/>
83 </div>87 </div>
84 <p><a·href="../../db/d3a/a00641_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../db/d3a/a00641_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls"> 
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
87 Classes</h2></td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html">BALL::VIEW::DeviceEvent</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
92 Namespaces</h2></td></tr> 
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
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95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
80 <a·href="../../d5/dfa/a08187.html">List·of·all·members</a>··</div>80 <a·href="../../d5/dfa/a08187.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::QuadMesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::QuadMesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d0a/a00602_source.html">BALL/VIEW/PRIMITIVES/quadMesh.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/VIEW/PRIMITIVES/quadMesh.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::QuadMesh:</div>86 Inheritance·diagram·for·BALL::VIEW::QuadMesh:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../db/d40/a08190.png"·usemap="#BALL::VIEW::QuadMesh_map"·alt=""/>89 ··<img·src="../../db/d40/a08190.png"·usemap="#BALL::VIEW::QuadMesh_map"·alt=""/>
90 ··<map·id="BALL::VIEW::QuadMesh_map"·name="BALL::VIEW::QuadMesh_map">90 ··<map·id="BALL::VIEW::QuadMesh_map"·name="BALL::VIEW::QuadMesh_map">
91 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>91 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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193 </table>193 </table>
194 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>194 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
195 <div·class="textblock"><p><a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·class.·<br··/>195 <div·class="textblock"><p><a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·class.·<br··/>
196 ·An·instance·of·<a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·represents·an·mesh·with·quadruples.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>196 ·An·instance·of·<a·class="el"·href="../../db/d40/a08190.html">QuadMesh</a>·represents·an·mesh·with·quadruples.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">quadMesh.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="a86c58f6e10a6c16b147ec038b14b248a"·name="a86c58f6e10a6c16b147ec038b14b248a"></a>199 <a·id="a86c58f6e10a6c16b147ec038b14b248a"·name="a86c58f6e10a6c16b147ec038b14b248a"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#a86c58f6e10a6c16b147ec038b14b248a">&#9670;&#160;</a></span>QuadMesh()·<span·class="overload">[1/2]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#a86c58f6e10a6c16b147ec038b14b248a">&#9670;&#160;</a></span>QuadMesh()·<span·class="overload">[1/2]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 ······<table·class="memname">203 ······<table·class="memname">
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256 ··</td>256 ··</td>
257 ··<td·class="mlabels-right">257 ··<td·class="mlabels-right">
258 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>258 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
259 ··</tr>259 ··</tr>
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262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">quadMesh.h</a>.</p>262 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
263 </div>263 </div>
264 </div>264 </div>
265 <h2·class="groupheader">Member·Function·Documentation</h2>265 <h2·class="groupheader">Member·Function·Documentation</h2>
266 <a·id="aedc351fc6774c725e758afe8711e56d4"·name="aedc351fc6774c725e758afe8711e56d4"></a>266 <a·id="aedc351fc6774c725e758afe8711e56d4"·name="aedc351fc6774c725e758afe8711e56d4"></a>
267 <h2·class="memtitle"><span·class="permalink"><a·href="#aedc351fc6774c725e758afe8711e56d4">&#9670;&#160;</a></span>getVertices()</h2>267 <h2·class="memtitle"><span·class="permalink"><a·href="#aedc351fc6774c725e758afe8711e56d4">&#9670;&#160;</a></span>getVertices()</h2>
  
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287 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>287 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
288 ··</tr>288 ··</tr>
289 </table>289 </table>
290 </div><div·class="memdoc">290 </div><div·class="memdoc">
  
291 <p>Reimplemented·from·<a·class="el"·href="../../df/d1d/a07806.html#a530cc06018b023332f94182a7756272a">BALL::VIEW::GeometricObject</a>.</p>291 <p>Reimplemented·from·<a·class="el"·href="../../df/d1d/a07806.html#a530cc06018b023332f94182a7756272a">BALL::VIEW::GeometricObject</a>.</p>
  
292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">quadMesh.h</a>.</p>292 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
293 </div>293 </div>
294 </div>294 </div>
295 <h2·class="groupheader">Member·Data·Documentation</h2>295 <h2·class="groupheader">Member·Data·Documentation</h2>
296 <a·id="ade313c6310695e32b92e9bc62c63ac11"·name="ade313c6310695e32b92e9bc62c63ac11"></a>296 <a·id="ade313c6310695e32b92e9bc62c63ac11"·name="ade313c6310695e32b92e9bc62c63ac11"></a>
297 <h2·class="memtitle"><span·class="permalink"><a·href="#ade313c6310695e32b92e9bc62c63ac11">&#9670;&#160;</a></span>normal</h2>297 <h2·class="memtitle"><span·class="permalink"><a·href="#ade313c6310695e32b92e9bc62c63ac11">&#9670;&#160;</a></span>normal</h2>
  
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304 ······<table·class="memname">304 ······<table·class="memname">
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311 </div>311 </div>
312 </div>312 </div>
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314 <h2·class="memtitle"><span·class="permalink"><a·href="#a1e0b5f45a4e314ebf3bff3717adff21b">&#9670;&#160;</a></span>quad</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#a1e0b5f45a4e314ebf3bff3717adff21b">&#9670;&#160;</a></span>quad</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
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320 ······<table·class="memname">320 ······<table·class="memname">
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325 </div><div·class="memdoc">325 </div><div·class="memdoc">
  
326 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">quadMesh.h</a>.</p>326 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00069">69</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
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330 <h2·class="memtitle"><span·class="permalink"><a·href="#a12e230cc247ede583eda48dfd1956ee1">&#9670;&#160;</a></span>vertex</h2>330 <h2·class="memtitle"><span·class="permalink"><a·href="#a12e230cc247ede583eda48dfd1956ee1">&#9670;&#160;</a></span>vertex</h2>
  
331 <div·class="memitem">331 <div·class="memitem">
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337 ········<tr>337 ········<tr>
338 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::QuadMesh::vertex</td>338 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&gt;·BALL::VIEW::QuadMesh::vertex</td>
339 ········</tr>339 ········</tr>
340 ······</table>340 ······</table>
341 </div><div·class="memdoc">341 </div><div·class="memdoc">
342 <p>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</p>342 <p>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</p>
  
343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d0a/a00602_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d5/d0a/a00602_source.html">quadMesh.h</a>.</p>343 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d9b/a01379_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d0/d9b/a01379_source.html">quadMesh.h</a>.</p>
  
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">paramFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">exportGeometryDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/dce/a01052_source.html">BALL/VIEW/KERNEL/clippingPlane.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_exportGeometryDialog.h&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
86 <code>#include·&lt;map&gt;</code><br·/> 
87 <code>#include·&lt;list&gt;</code><br·/> 
88 <code>#include·&lt;set&gt;</code><br·/> 
89 </div>85 </div>
90 <p><a·href="../../db/d42/a01220_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d42/a01220_source.html">Go·to·the·source·code·of·this·file.</a></p>
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8 <title>BALL:·forceModel.h·File·Reference</title>8 <title>BALL:·latentVariableModel.h·File·Reference</title>
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68 </div>68 </div>
  
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">forceModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">latentVariableModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;Eigen/Core&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../db/d43/a00422_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../db/d43/a00422_source.html">Go·to·the·source·code·of·this·file.</a></p>
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91 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/dd3/a05695.html">List·of·all·members</a>··</div>78 <a·href="../../d5/dd3/a05695.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ModelParameterError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::ModelParameterError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::ModelParameterError:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::ModelParameterError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::QSAR::Exception::ModelParameterError_map"·name="BALL::QSAR::Exception::ModelParameterError_map">88 ··<map·id="BALL::QSAR::Exception::ModelParameterError_map"·name="BALL::QSAR::Exception::ModelParameterError_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>exception·for·creation·of·a·model·with·wrong·number·of·parameters·or·with·wrong·types·of·parameters·</p>143 <div·class="textblock"><p>exception·for·creation·of·a·model·with·wrong·number·of·parameters·or·with·wrong·types·of·parameters·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ace678a58df15489dfd33edb936977c24"·name="ace678a58df15489dfd33edb936977c24"></a>146 <a·id="ace678a58df15489dfd33edb936977c24"·name="ace678a58df15489dfd33edb936977c24"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ace678a58df15489dfd33edb936977c24">&#9670;&#160;</a></span>ModelParameterError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ace678a58df15489dfd33edb936977c24">&#9670;&#160;</a></span>ModelParameterError()</h2>
  
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8 <title>BALL:·SESEdge.h·File·Reference</title>8 <title>BALL:·addHydrogenProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">SESEdge.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">addHydrogenProcessor.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d29/a01895_source.html">BALL/STRUCTURE/graphEdge.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d57/a00701_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
85 </div>85 </div>
86 <p><a·href="../../db/d4b/a01883_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d4b/a01883_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">87 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>89 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc8/a07162.html">BALL::SESEdge</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d3f/a06630.html">BALL::AddHydrogenProcessor</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
99 Functions</h2></td></tr> 
100 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
101 <tr·class="memitem:ga8f202ecda2f6d1e7781028b2e68bd724"·id="r_ga8f202ecda2f6d1e7781028b2e68bd724"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga8f202ecda2f6d1e7781028b2e68bd724">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d9/dc8/a07162.html">SESEdge</a>·&amp;sesedge)</td></tr> 
102 <tr·class="separator:ga8f202ecda2f6d1e7781028b2e68bd724"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 </table>97 </table>
104 </div><!--·contents·-->98 </div><!--·contents·-->
105 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
106 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
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79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KGreedyBondOrderStrategy·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/d21/a01778_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::KGreedyBondOrderStrategy:</div>84 Inheritance·diagram·for·BALL::KGreedyBondOrderStrategy:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d52/a06806.png"·usemap="#BALL::KGreedyBondOrderStrategy_map"·alt=""/>87 ··<img·src="../../db/d52/a06806.png"·usemap="#BALL::KGreedyBondOrderStrategy_map"·alt=""/>
88 ··<map·id="BALL::KGreedyBondOrderStrategy_map"·name="BALL::KGreedyBondOrderStrategy_map">88 ··<map·id="BALL::KGreedyBondOrderStrategy_map"·name="BALL::KGreedyBondOrderStrategy_map">
89 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>89 <area·href="../../d2/da4/a06706.html"·alt="BALL::AStarBondOrderStrategy"·shape="rect"·coords="0,56,259,80"/>
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153 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<br·/></td></tr>153 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<br·/></td></tr>
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155 </table>155 </table>
156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>156 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
157 <div·class="textblock"><p>K-Greedy·algorithm·for·bond·order·assignment.</p>157 <div·class="textblock"><p>K-Greedy·algorithm·for·bond·order·assignment.</p>
158 <p>This·class·implements·a·K-Greedy·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·AStar·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../d2/da4/a06706.html">AStarBondOrderStrategy·</a>.·</p>158 <p>This·class·implements·a·K-Greedy·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·AStar·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../d2/da4/a06706.html">AStarBondOrderStrategy·</a>.·</p>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d21/a01778_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../df/d21/a01778_source.html">KGreedyBondOrderStrategy.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">KGreedyBondOrderStrategy.h</a>.</p>
160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
161 <a·id="a8ea89651984c6fdf18a9a549288dc479"·name="a8ea89651984c6fdf18a9a549288dc479"></a>161 <a·id="a8ea89651984c6fdf18a9a549288dc479"·name="a8ea89651984c6fdf18a9a549288dc479"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a8ea89651984c6fdf18a9a549288dc479">&#9670;&#160;</a></span>KGreedyBondOrderStrategy()</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a8ea89651984c6fdf18a9a549288dc479">&#9670;&#160;</a></span>KGreedyBondOrderStrategy()</h2>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ConfigIO·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ConfigIO·Class·Reference</div></div>
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82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/QSAR/configIO.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/QSAR/configIO.h</a>&gt;</code></p>
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100 <tr·class="separator:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a7a22eb407b5a4b3ec3290e5f0071108b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9a/a00998_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../d9/d9a/a00998_source.html">configIO.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00135">135</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">configIO.h</a>.</p>
105 </div><h2·class="groupheader">Member·Function·Documentation</h2>105 </div><h2·class="groupheader">Member·Function·Documentation</h2>
106 <a·id="a84da7875803631f73a01f35ead2e2aeb"·name="a84da7875803631f73a01f35ead2e2aeb"></a>106 <a·id="a84da7875803631f73a01f35ead2e2aeb"·name="a84da7875803631f73a01f35ead2e2aeb"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a84da7875803631f73a01f35ead2e2aeb">&#9670;&#160;</a></span>putbackLine()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a84da7875803631f73a01f35ead2e2aeb">&#9670;&#160;</a></span>putbackLine()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="../../de/d0d/a06343.html">List·of·all·members</a>··</div>79 <a·href="../../de/d0d/a06343.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PolarSolvation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PolarSolvation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d23/a01961_source.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::PolarSolvation:</div>85 Inheritance·diagram·for·BALL::PolarSolvation:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../db/d59/a06346.png"·usemap="#BALL::PolarSolvation_map"·alt=""/>88 ··<img·src="../../db/d59/a06346.png"·usemap="#BALL::PolarSolvation_map"·alt=""/>
89 ··<map·id="BALL::PolarSolvation_map"·name="BALL::PolarSolvation_map">89 ··<map·id="BALL::PolarSolvation_map"·name="BALL::PolarSolvation_map">
90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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226 </table>226 </table>
227 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>227 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
228 <div·class="textblock"><p>SLICK·polar·solvation·component·\·{\bf·Definition:}·\URL{<a·class="el"·href="../../d2/d23/a01961.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>}·</p>228 <div·class="textblock"><p>SLICK·polar·solvation·component·\·{\bf·Definition:}·\URL{<a·class="el"·href="../../d3/d48/a02069.html">BALL/SCORING/COMPONENTS/polarSolvation.h</a>}·</p>
  
229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d23/a01961_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d2/d23/a01961_source.html">polarSolvation.h</a>.</p>229 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
230 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>230 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
231 <a·id="a82cd8a577d86d6c2dd989fa165e05be7"·name="a82cd8a577d86d6c2dd989fa165e05be7"></a>231 <a·id="a82cd8a577d86d6c2dd989fa165e05be7"·name="a82cd8a577d86d6c2dd989fa165e05be7"></a>
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250 </td></tr>250 </td></tr>
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252 </td></tr>252 </td></tr>
253 </table>253 </table>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d23/a01961_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d2/d23/a01961_source.html">polarSolvation.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
  
255 </div>255 </div>
256 </div>256 </div>
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258 <h2·class="memtitle"><span·class="permalink"><a·href="#a362971d682723cfd8d2aa01a253bdc80">&#9670;&#160;</a></span>CalculationMethod</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#a362971d682723cfd8d2aa01a253bdc80">&#9670;&#160;</a></span>CalculationMethod</h2>
  
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276 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"·name="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"></a>CALCULATION__EEF1&#160;</td><td·class="fielddoc"></td></tr>276 <tr><td·class="fieldname"><a·id="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"·name="a362971d682723cfd8d2aa01a253bdc80a4976de9a9ddcd2f4c5a0af11e3ea562e"></a>CALCULATION__EEF1&#160;</td><td·class="fielddoc"></td></tr>
277 </table>277 </table>
  
278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d23/a01961_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/d23/a01961_source.html">polarSolvation.h</a>.</p>278 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">polarSolvation.h</a>.</p>
  
279 </div>279 </div>
280 </div>280 </div>
281 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>281 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
282 <a·id="aa4b592b2aae09d99fdefc651d200f7c2"·name="aa4b592b2aae09d99fdefc651d200f7c2"></a>282 <a·id="aa4b592b2aae09d99fdefc651d200f7c2"·name="aa4b592b2aae09d99fdefc651d200f7c2"></a>
283 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4b592b2aae09d99fdefc651d200f7c2">&#9670;&#160;</a></span>PolarSolvation()·<span·class="overload">[1/3]</span></h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4b592b2aae09d99fdefc651d200f7c2">&#9670;&#160;</a></span>PolarSolvation()·<span·class="overload">[1/3]</span></h2>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d91/a07447.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d91/a07447.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiColorExtension·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiColorExtension·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../d0/d9d/a02202.html">Helper·Base·Classes·for·derived·GeometricObject·'s</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::MultiColorExtension:</div>83 Inheritance·diagram·for·BALL::VIEW::MultiColorExtension:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/d60/a07450.png"·usemap="#BALL::VIEW::MultiColorExtension_map"·alt=""/>86 ··<img·src="../../db/d60/a07450.png"·usemap="#BALL::VIEW::MultiColorExtension_map"·alt=""/>
87 ··<map·id="BALL::VIEW::MultiColorExtension_map"·name="BALL::VIEW::MultiColorExtension_map">87 ··<map·id="BALL::VIEW::MultiColorExtension_map"·name="BALL::VIEW::MultiColorExtension_map">
88 <area·href="../../de/d75/a08178.html"·alt="BALL::VIEW::Mesh"·shape="rect"·coords="0,56,198,80"/>88 <area·href="../../de/d75/a08178.html"·alt="BALL::VIEW::Mesh"·shape="rect"·coords="0,56,198,80"/>
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128 <tr·class="separator:ab8c547739c88379585febb9c3ee4a1eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:ab8c547739c88379585febb9c3ee4a1eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Base·class·for·geometric·objects·that·need·multiple·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>131 <div·class="textblock"><p>Base·class·for·geometric·objects·that·need·multiple·colors.·It·provides·the·derived·class·with·methods·for·accessing·these·colors.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·</dd>
132 <dd>132 <dd>
133 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>133 <a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·</dd></dl>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">colorExtensions.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="a784e5c5d2bacd3b5cc71002ee0ff0cc6"·name="a784e5c5d2bacd3b5cc71002ee0ff0cc6"></a>136 <a·id="a784e5c5d2bacd3b5cc71002ee0ff0cc6"·name="a784e5c5d2bacd3b5cc71002ee0ff0cc6"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a784e5c5d2bacd3b5cc71002ee0ff0cc6">&#9670;&#160;</a></span>MultiColorExtension()·<span·class="overload">[1/2]</span></h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a784e5c5d2bacd3b5cc71002ee0ff0cc6">&#9670;&#160;</a></span>MultiColorExtension()·<span·class="overload">[1/2]</span></h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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413 ······<table·class="memname">413 ······<table·class="memname">
414 ········<tr>414 ········<tr>
415 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>&gt;·BALL::VIEW::MultiColorExtension::colors</td>415 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>&gt;·BALL::VIEW::MultiColorExtension::colors</td>
416 ········</tr>416 ········</tr>
417 ······</table>417 ······</table>
418 </div><div·class="memdoc">418 </div><div·class="memdoc">
  
419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00199">199</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">colorExtensions.h</a>.</p>419 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbe/a01370_source.html#l00199">199</a>·of·file·<a·class="el"·href="../../d8/dbe/a01370_source.html">colorExtensions.h</a>.</p>
  
420 </div>420 </div>
421 </div>421 </div>
422 </div><!--·contents·-->422 </div><!--·contents·-->
423 <!--·start·footer·part·-->423 <!--·start·footer·part·-->
424 <hr·class="footer"/><address·class="footer"><small>424 <hr·class="footer"/><address·class="footer"><small>
425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8425 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="../../dc/d43/a04727.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d43/a04727.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::ConnectedToPredicate:</div>85 Inheritance·diagram·for·BALL::ConnectedToPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../db/d62/a04730.png"·usemap="#BALL::ConnectedToPredicate_map"·alt=""/>88 ··<img·src="../../db/d62/a04730.png"·usemap="#BALL::ConnectedToPredicate_map"·alt=""/>
89 ··<map·id="BALL::ConnectedToPredicate_map"·name="BALL::ConnectedToPredicate_map">89 ··<map·id="BALL::ConnectedToPredicate_map"·name="BALL::ConnectedToPredicate_map">
90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>90 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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153 <p>Elements·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>symbol</code>·&amp;·the·desired·element·</dd></dl>153 <p>Elements·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>symbol</code>·&amp;·the·desired·element·</dd></dl>
154 <dl·class="section·user"><dt></dt><dd></dd></dl>154 <dl·class="section·user"><dt></dt><dd></dd></dl>
155 <p><code>*</code>·&amp;·any·element·</p><dl·class="section·user"><dt></dt><dd></dd></dl>155 <p><code>*</code>·&amp;·any·element·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
156 <p>Groups·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>(·)</code>·&amp;·symbols·enlosed·by·brackets·denote·groups·</dd></dl>156 <p>Groups·&amp;·</p><dl·class="section·user"><dt></dt><dd><code>(·)</code>·&amp;·symbols·enlosed·by·brackets·denote·groups·</dd></dl>
157 <dl·class="section·user"><dt></dt><dd></dd></dl>157 <dl·class="section·user"><dt></dt><dd></dd></dl>
158 <p>\end{tabular}·</p>158 <p>\end{tabular}·</p>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00480">480</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00480">480</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
161 <a·id="a7b5cc4c8a47cdd23f19844e6eb4e249f"·name="a7b5cc4c8a47cdd23f19844e6eb4e249f"></a>161 <a·id="a7b5cc4c8a47cdd23f19844e6eb4e249f"·name="a7b5cc4c8a47cdd23f19844e6eb4e249f"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b5cc4c8a47cdd23f19844e6eb4e249f">&#9670;&#160;</a></span>ConnectedToPredicate()·<span·class="overload">[1/2]</span></h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b5cc4c8a47cdd23f19844e6eb4e249f">&#9670;&#160;</a></span>ConnectedToPredicate()·<span·class="overload">[1/2]</span></h2>
  
163 <div·class="memitem">163 <div·class="memitem">
164 <div·class="memproto">164 <div·class="memproto">
165 ······<table·class="memname">165 ······<table·class="memname">
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="../../dd/dc9/a05355.html">List·of·all·members</a>··</div>79 <a·href="../../dd/dc9/a05355.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::CosineTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::CosineTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d79/a01658_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/de6/a00167_source.html">BALL/MOLMEC/PARAMETER/cosineTorsion.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::CosineTorsion:</div>85 Inheritance·diagram·for·BALL::CosineTorsion:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../db/d62/a05358.png"·usemap="#BALL::CosineTorsion_map"·alt=""/>88 ··<img·src="../../db/d62/a05358.png"·usemap="#BALL::CosineTorsion_map"·alt=""/>
89 ··<map·id="BALL::CosineTorsion_map"·name="BALL::CosineTorsion_map">89 ··<map·id="BALL::CosineTorsion_map"·name="BALL::CosineTorsion_map">
90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>90 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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212 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>212 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
213 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>213 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
214 </table>214 </table>
215 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>215 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
216 <div·class="textblock"><p>Cosine·Torsion.</p>216 <div·class="textblock"><p>Cosine·Torsion.</p>
217 <p>Molecular·Mechanics·Parameter:·class·describing·the·parameter·section·required·for·torsions·using·a·cosine·type·potential·function.·</p>217 <p>Molecular·Mechanics·Parameter:·class·describing·the·parameter·section·required·for·torsions·using·a·cosine·type·potential·function.·</p>
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">cosineTorsion.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
219 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>219 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
220 <a·id="a2406656d927d77bcf3906c9fc3a0cfb5"·name="a2406656d927d77bcf3906c9fc3a0cfb5"></a>220 <a·id="a2406656d927d77bcf3906c9fc3a0cfb5"·name="a2406656d927d77bcf3906c9fc3a0cfb5"></a>
221 <h2·class="memtitle"><span·class="permalink"><a·href="#a2406656d927d77bcf3906c9fc3a0cfb5">&#9670;&#160;</a></span>anonymous·enum</h2>221 <h2·class="memtitle"><span·class="permalink"><a·href="#a2406656d927d77bcf3906c9fc3a0cfb5">&#9670;&#160;</a></span>anonymous·enum</h2>
  
222 <div·class="memitem">222 <div·class="memitem">
223 <div·class="memproto">223 <div·class="memproto">
224 ······<table·class="memname">224 ······<table·class="memname">
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229 ········</tr>229 ········</tr>
230 ······</table>230 ······</table>
231 </div><div·class="memdoc">231 </div><div·class="memdoc">
232 <table·class="fieldtable">232 <table·class="fieldtable">
233 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2406656d927d77bcf3906c9fc3a0cfb5ae7c626b3201ecea8b9c7389b5cea7d23"·name="a2406656d927d77bcf3906c9fc3a0cfb5ae7c626b3201ecea8b9c7389b5cea7d23"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>233 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a2406656d927d77bcf3906c9fc3a0cfb5ae7c626b3201ecea8b9c7389b5cea7d23"·name="a2406656d927d77bcf3906c9fc3a0cfb5ae7c626b3201ecea8b9c7389b5cea7d23"></a>UNKNOWN&#160;</td><td·class="fielddoc"></td></tr>
234 </table>234 </table>
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">cosineTorsion.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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240 <h2·class="memtitle"><span·class="permalink"><a·href="#aed914841af37671c295d93d63eb0d6c7">&#9670;&#160;</a></span>CosineTorsion()·<span·class="overload">[1/2]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#aed914841af37671c295d93d63eb0d6c7">&#9670;&#160;</a></span>CosineTorsion()·<span·class="overload">[1/2]</span></h2>
  
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590 ··</td>590 ··</td>
591 ··<td·class="mlabels-right">591 ··<td·class="mlabels-right">
592 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>592 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
593 ··</tr>593 ··</tr>
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596 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00231">231</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">cosineTorsion.h</a>.</p>596 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00231">231</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
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614 ··</td>614 ··</td>
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620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">cosineTorsion.h</a>.</p>620 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00235">235</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
621 </div>621 </div>
622 </div>622 </div>
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625 <div·class="memitem">625 <div·class="memitem">
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638 ··</td>638 ··</td>
639 ··<td·class="mlabels-right">639 ··<td·class="mlabels-right">
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644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d79/a01658_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../d9/d79/a01658_source.html">cosineTorsion.h</a>.</p>644 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/de6/a00167_source.html#l00233">233</a>·of·file·<a·class="el"·href="../../dc/de6/a00167_source.html">cosineTorsion.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::KernelParameterError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::KernelParameterError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
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86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d63/a05686.png"·usemap="#BALL::QSAR::Exception::KernelParameterError_map"·alt=""/>87 ··<img·src="../../db/d63/a05686.png"·usemap="#BALL::QSAR::Exception::KernelParameterError_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::KernelParameterError_map"·name="BALL::QSAR::Exception::KernelParameterError_map">88 ··<map·id="BALL::QSAR::Exception::KernelParameterError_map"·name="BALL::QSAR::Exception::KernelParameterError_map">
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141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·creation·of·a·kernel·with·wrong·parameters·</p>143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·creation·of·a·kernel·with·wrong·parameters·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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147 <h2·class="memtitle"><span·class="permalink"><a·href="#af284de6575ddc43587b5a8d7071b42fe">&#9670;&#160;</a></span>KernelParameterError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#af284de6575ddc43587b5a8d7071b42fe">&#9670;&#160;</a></span>KernelParameterError()</h2>
  
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81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetCamera·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SetCamera·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/VIEW/DIALOGS/setCamera.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d19/a01190_source.html">BALL/VIEW/DIALOGS/setCamera.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::SetCamera:</div>86 Inheritance·diagram·for·BALL::VIEW::SetCamera:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../db/d64/a07722.png"·usemap="#BALL::VIEW::SetCamera_map"·alt=""/>89 ··<img·src="../../db/d64/a07722.png"·usemap="#BALL::VIEW::SetCamera_map"·alt=""/>
90 ··<map·id="BALL::VIEW::SetCamera_map"·name="BALL::VIEW::SetCamera_map">90 ··<map·id="BALL::VIEW::SetCamera_map"·name="BALL::VIEW::SetCamera_map">
91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,148,24"/>91 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,148,24"/>
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109 Public·Attributes</h2></td></tr>109 Public·Attributes</h2></td></tr>
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111 <tr·class="separator:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a1dc42c555d8b9704e7b7960c276e0913"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p>Dialog·to·set·the·camera·to·a·given·value·</p>114 <div·class="textblock"><p>Dialog·to·set·the·camera·to·a·given·value·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">setCamera.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d19/a01190_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/d19/a01190_source.html">setCamera.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a62e59deb2443e1bcd29b799f96537e63"·name="a62e59deb2443e1bcd29b799f96537e63"></a>117 <a·id="a62e59deb2443e1bcd29b799f96537e63"·name="a62e59deb2443e1bcd29b799f96537e63"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a62e59deb2443e1bcd29b799f96537e63">&#9670;&#160;</a></span>SetCamera()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a62e59deb2443e1bcd29b799f96537e63">&#9670;&#160;</a></span>SetCamera()</h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">defaultProcessors.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">graphFace.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;list&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
87 </div>85 </div>
88 <p><a·href="../../db/d66/a01721_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d66/a01721_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">87 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>89 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/dc7/a06838.html">BALL::ClearChargeProcessor</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd4/a06906.html">BALL::GraphFace&lt;·Vertex,·Edge,·Face·&gt;</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d97/a06842.html">BALL::ClearRadiusProcessor</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d67/a06846.html">BALL::AssignRadiusProcessor</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc5/a06850.html">BALL::AssignChargeProcessor</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a06910.html">BALL::GraphTriangle&lt;·Vertex,·Edge,·Face·&gt;</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls">94 </table><table·class="memberdecls">
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
102 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>99 </table>
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78 ··<div·class="headertitle"><div·class="title">BALL::PeptideCapProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PeptideCapProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··81 <p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.··
82 ·<a·href="../../db/d66/a07010.html#details">More...</a></p>82 ·<a·href="../../db/d66/a07010.html#details">More...</a></p>
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d99/a01901_source.html">BALL/STRUCTURE/peptideCapProcessor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/d9c/a01733_source.html">BALL/STRUCTURE/peptideCapProcessor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::PeptideCapProcessor:</div>85 Inheritance·diagram·for·BALL::PeptideCapProcessor:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../db/d66/a07010.png"·usemap="#BALL::PeptideCapProcessor_map"·alt=""/>88 ··<img·src="../../db/d66/a07010.png"·usemap="#BALL::PeptideCapProcessor_map"·alt=""/>
89 ··<map·id="BALL::PeptideCapProcessor_map"·name="BALL::PeptideCapProcessor_map">89 ··<map·id="BALL::PeptideCapProcessor_map"·name="BALL::PeptideCapProcessor_map">
90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Chain·&gt;"·shape="rect"·coords="0,56,291,80"/>90 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Chain·&gt;"·shape="rect"·coords="0,56,291,80"/>
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137 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>137 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
138 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 </table>139 </table>
140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>140 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
141 <div·class="textblock"><p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.·</p>141 <div·class="textblock"><p>This·processor·adds·ACE-N·and·NME-C·caps·to·proteins.·</p>
142 <p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·adding·caps·to·proteins·</p>142 <p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·adding·caps·to·proteins·</p>
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d99/a01901_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d5/d99/a01901_source.html">peptideCapProcessor.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d9c/a01733_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d8/d9c/a01733_source.html">peptideCapProcessor.h</a>.</p>
144 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>144 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
145 <a·id="a1fc13b3c652f95caea4a5b6a8e8b10a9"·name="a1fc13b3c652f95caea4a5b6a8e8b10a9"></a>145 <a·id="a1fc13b3c652f95caea4a5b6a8e8b10a9"·name="a1fc13b3c652f95caea4a5b6a8e8b10a9"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#a1fc13b3c652f95caea4a5b6a8e8b10a9">&#9670;&#160;</a></span>PeptideCapProcessor()</h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#a1fc13b3c652f95caea4a5b6a8e8b10a9">&#9670;&#160;</a></span>PeptideCapProcessor()</h2>
  
147 <div·class="memitem">147 <div·class="memitem">
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149 ······<table·class="memname">149 ······<table·class="memname">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·atomTyper.h·File·Reference</title>8 <title>BALL:·SESVertex.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">atomTyper.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">SESVertex.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;vector&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../db/d6b/a01853_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/d6b/a01853_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>88 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d9e/a06654.html">BALL::AtomTyper</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d0f/a07170.html">BALL::SESVertex</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 98 Functions</h2></td></tr>
 99 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
 100 <tr·class="memitem:ga7f2b441b0572e857afaa280224707bcb"·id="r_ga7f2b441b0572e857afaa280224707bcb"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga7f2b441b0572e857afaa280224707bcb">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d0/d0f/a07170.html">SESVertex</a>·&amp;sesvertex)</td></tr>
 101 <tr·class="separator:ga7f2b441b0572e857afaa280224707bcb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>102 </table>
98 </div><!--·contents·-->103 </div><!--·contents·-->
99 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
102 </small></address>107 </small></address>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d80/a07383.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d80/a07383.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;:</div>84 Inheritance·diagram·for·BALL::TReadLocker&lt;·ReadLockerType,·ReadWriteLockType·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/d6b/a07386.png"·usemap="#BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>87 ··<img·src="../../db/d6b/a07386.png"·usemap="#BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·alt=""/>
88 ··<map·id="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map">88 ··<map·id="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map"·name="BALL::TReadLocker_3C_20ReadLockerType_2C_20ReadWriteLockType_20_3E_map">
89 <area·href="../../de/dda/a20026.html"·alt="ReadLockerType"·shape="rect"·coords="0,0,366,24"/>89 <area·href="../../de/dda/a20026.html"·alt="ReadLockerType"·shape="rect"·coords="0,0,366,24"/>
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97 <tr·class="separator:ae5ae144329a12d9c853aed50a053e8d6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:ae5ae144329a12d9c853aed50a053e8d6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../de/dda/a20026.html">ReadLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../de/dda/a20026.html">ReadLockerType</a>,·class·<a·class="el"·href="../../d2/db3/a20030.html">ReadWriteLockType</a>&gt;<br·/>
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102 <p>A·BALL-mutex·read-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·read,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>102 <p>A·BALL-mutex·read-locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d1/d1e/a07378.html">TReadWriteLock</a>.·Upon·construction,·the·mutex·is·automatically·locked·for·read,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="ae5ae144329a12d9c853aed50a053e8d6"·name="ae5ae144329a12d9c853aed50a053e8d6"></a>105 <a·id="ae5ae144329a12d9c853aed50a053e8d6"·name="ae5ae144329a12d9c853aed50a053e8d6"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5ae144329a12d9c853aed50a053e8d6">&#9670;&#160;</a></span>TReadLocker()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5ae144329a12d9c853aed50a053e8d6">&#9670;&#160;</a></span>TReadLocker()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <div·class="memtemplate">109 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
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130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
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79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../db/de7/a06407.html">List·of·all·members</a>··</div>80 <a·href="../../db/de7/a06407.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::PLPScoring·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::PLPScoring·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d39/a02048_source.html">BALL/SCORING/FUNCTIONS/PLPScoring.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d98/a02003_source.html">BALL/SCORING/FUNCTIONS/PLPScoring.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::PLPScoring:</div>86 Inheritance·diagram·for·BALL::PLPScoring:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../db/d70/a06410.png"·usemap="#BALL::PLPScoring_map"·alt=""/>89 ··<img·src="../../db/d70/a06410.png"·usemap="#BALL::PLPScoring_map"·alt=""/>
90 ··<map·id="BALL::PLPScoring_map"·name="BALL::PLPScoring_map">90 ··<map·id="BALL::PLPScoring_map"·name="BALL::PLPScoring_map">
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412 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"·id="r_a2df2601043e50488cb2f20981a4604d8"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>412 <tr·class="memitem:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"·id="r_a2df2601043e50488cb2f20981a4604d8"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a2df2601043e50488cb2f20981a4604d8">SUBCATEGORY_NAME</a></td></tr>
413 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>413 <tr·class="separator:a2df2601043e50488cb2f20981a4604d8·inherit·pub_static_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
414 </table>414 </table>
415 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>415 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
416 <div·class="textblock"><p><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>416 <div·class="textblock"><p><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>
  
417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d39/a02048_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d1/d39/a02048_source.html">PLPScoring.h</a>.</p>417 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a02003_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/d98/a02003_source.html">PLPScoring.h</a>.</p>
418 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>418 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
419 <a·id="adae61def471e6af1d71fdd7e13171ec5"·name="adae61def471e6af1d71fdd7e13171ec5"></a>419 <a·id="adae61def471e6af1d71fdd7e13171ec5"·name="adae61def471e6af1d71fdd7e13171ec5"></a>
420 <h2·class="memtitle"><span·class="permalink"><a·href="#adae61def471e6af1d71fdd7e13171ec5">&#9670;&#160;</a></span>PLPScoring()·<span·class="overload">[1/2]</span></h2>420 <h2·class="memtitle"><span·class="permalink"><a·href="#adae61def471e6af1d71fdd7e13171ec5">&#9670;&#160;</a></span>PLPScoring()·<span·class="overload">[1/2]</span></h2>
  
421 <div·class="memitem">421 <div·class="memitem">
422 <div·class="memproto">422 <div·class="memproto">
423 ······<table·class="memname">423 ······<table·class="memname">
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634 ··</td>634 ··</td>
635 ··<td·class="mlabels-right">635 ··<td·class="mlabels-right">
636 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>636 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
637 ··</tr>637 ··</tr>
638 </table>638 </table>
639 </div><div·class="memdoc">639 </div><div·class="memdoc">
  
640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d39/a02048_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/d39/a02048_source.html">PLPScoring.h</a>.</p>640 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a02003_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d98/a02003_source.html">PLPScoring.h</a>.</p>
  
641 </div>641 </div>
642 </div>642 </div>
643 </div><!--·contents·-->643 </div><!--·contents·-->
644 <!--·start·footer·part·-->644 <!--·start·footer·part·-->
645 <hr·class="footer"/><address·class="footer"><small>645 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·textPersistenceManager.h·File·Reference</title>8 <title>BALL:·rendering.doc·File·Reference</title>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul> 
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74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">textPersistenceManager.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">rendering.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
82 </div> 
83 <p><a·href="../../db/d78/a01427_source.html">Go·to·the·source·code·of·this·file.</a></p> 
84 <table·class="memberdecls"> 
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
86 Classes</h2></td></tr> 
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89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
91 Namespaces</h2></td></tr> 
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 </table> 
95 </div><!--·contents·-->74 </div><!--·contents·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">glDisplayList.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyIndexList.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtOpenGL/qgl.h&gt;</code><br·/> 
83 <code>#include·&lt;BALL/VIEW/RENDERING/glDisplayList.iC&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../db/d7b/a00296_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../db/d7b/a00296_source.html">Go·to·the·source·code·of·this·file.</a></p>
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100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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105 </div><!--·contents·-->96 </div><!--·contents·-->
106 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
107 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d4/d27/a05855.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d27/a05855.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::PathMessage_·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::RingPerceptionProcessor::PathMessage_·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d12/a00911_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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101 <tr·class="memdesc:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">pointer·to·the·first·edge·of·the·message·path··<br·/></td></tr>101 <tr·class="memdesc:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">pointer·to·the·first·edge·of·the·message·path··<br·/></td></tr>
102 <tr·class="separator:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a8bf97f1abed9f64c08f2a49511abc7f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock">105 <div·class="textblock">
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
107 </div><h2·class="groupheader">Member·Function·Documentation</h2>107 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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109 <h2·class="memtitle"><span·class="permalink"><a·href="#a409999c0c74132d6305be69e6574031c">&#9670;&#160;</a></span>push()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a409999c0c74132d6305be69e6574031c">&#9670;&#160;</a></span>push()</h2>
  
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143 ········<tr>143 ········<tr>
144 ··········<td·class="memname"><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>·BALL::RingPerceptionProcessor::PathMessage_::beep</td>144 ··········<td·class="memname"><a·class="el"·href="../../d1/d35/a03398.html">BitVector</a>·BALL::RingPerceptionProcessor::PathMessage_::beep</td>
145 ········</tr>145 ········</tr>
146 ······</table>146 ······</table>
147 </div><div·class="memdoc">147 </div><div·class="memdoc">
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
149 </div>149 </div>
150 </div>150 </div>
151 <a·id="a8bf97f1abed9f64c08f2a49511abc7f3"·name="a8bf97f1abed9f64c08f2a49511abc7f3"></a>151 <a·id="a8bf97f1abed9f64c08f2a49511abc7f3"·name="a8bf97f1abed9f64c08f2a49511abc7f3"></a>
152 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bf97f1abed9f64c08f2a49511abc7f3">&#9670;&#160;</a></span>efirst</h2>152 <h2·class="memtitle"><span·class="permalink"><a·href="#a8bf97f1abed9f64c08f2a49511abc7f3">&#9670;&#160;</a></span>efirst</h2>
  
153 <div·class="memitem">153 <div·class="memitem">
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160 ··········<td·class="memname"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;*·BALL::RingPerceptionProcessor::PathMessage_::efirst</td>160 ··········<td·class="memname"><a·class="el"·href="../../d3/d41/a07190.html">EdgeItem</a>&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>,·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;*·BALL::RingPerceptionProcessor::PathMessage_::efirst</td>
161 ········</tr>161 ········</tr>
162 ······</table>162 ······</table>
163 </div><div·class="memdoc">163 </div><div·class="memdoc">
  
164 <p>pointer·to·the·first·edge·of·the·message·path·</p>164 <p>pointer·to·the·first·edge·of·the·message·path·</p>
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00134">134</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
166 </div>166 </div>
167 </div>167 </div>
168 <a·id="a41f2d1a10efaf4c62e0495b0441d30b9"·name="a41f2d1a10efaf4c62e0495b0441d30b9"></a>168 <a·id="a41f2d1a10efaf4c62e0495b0441d30b9"·name="a41f2d1a10efaf4c62e0495b0441d30b9"></a>
169 <h2·class="memtitle"><span·class="permalink"><a·href="#a41f2d1a10efaf4c62e0495b0441d30b9">&#9670;&#160;</a></span>nfirst</h2>169 <h2·class="memtitle"><span·class="permalink"><a·href="#a41f2d1a10efaf4c62e0495b0441d30b9">&#9670;&#160;</a></span>nfirst</h2>
  
170 <div·class="memitem">170 <div·class="memitem">
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178 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nfirst</td>178 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nfirst</td>
179 ········</tr>179 ········</tr>
180 ······</table>180 ······</table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p>pointer·to·the·first·node·this·message·was·sent·from·</p>182 <p>pointer·to·the·first·node·this·message·was·sent·from·</p>
  
183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
184 </div>184 </div>
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187 <h2·class="memtitle"><span·class="permalink"><a·href="#a15448fb2dba0f5504492ba273bfcf6fd">&#9670;&#160;</a></span>nlast</h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a15448fb2dba0f5504492ba273bfcf6fd">&#9670;&#160;</a></span>nlast</h2>
  
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195 ········<tr>195 ········<tr>
196 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nlast</td>196 ··········<td·class="memname"><a·class="el"·href="../../d3/d9f/a05854.html">TNode_</a>*·BALL::RingPerceptionProcessor::PathMessage_::nlast</td>
197 ········</tr>197 ········</tr>
198 ······</table>198 ······</table>
199 </div><div·class="memdoc">199 </div><div·class="memdoc">
  
200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d12/a00911_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d7/d12/a00911_source.html">ringPerceptionProcessor.h</a>.</p>200 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00419_source.html#l00131">131</a>·of·file·<a·class="el"·href="../../d3/d29/a00419_source.html">ringPerceptionProcessor.h</a>.</p>
  
201 </div>201 </div>
202 </div>202 </div>
203 </div><!--·contents·-->203 </div><!--·contents·-->
204 <!--·start·footer·part·-->204 <!--·start·footer·part·-->
205 <hr·class="footer"/><address·class="footer"><small>205 <hr·class="footer"/><address·class="footer"><small>
206 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8206 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d58/a03383.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d58/a03383.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::XDRPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::XDRPersistenceManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a01373_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d00/a00785_source.html">BALL/CONCEPT/XDRPersistenceManager.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::XDRPersistenceManager:</div>83 Inheritance·diagram·for·BALL::XDRPersistenceManager:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/d7d/a03386.png"·usemap="#BALL::XDRPersistenceManager_map"·alt=""/>86 ··<img·src="../../db/d7d/a03386.png"·usemap="#BALL::XDRPersistenceManager_map"·alt=""/>
87 ··<map·id="BALL::XDRPersistenceManager_map"·name="BALL::XDRPersistenceManager_map">87 ··<map·id="BALL::XDRPersistenceManager_map"·name="BALL::XDRPersistenceManager_map">
88 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,192,24"/>88 <area·href="../../d7/d2e/a03310.html"·alt="BALL::PersistenceManager"·shape="rect"·coords="0,0,192,24"/>
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346 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>346 <tr·class="separator:a9adc1a6a25b38375d2edca3168f1bcd7·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
347 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"·id="r_aef2716c6cb98eec44713fbf7f5052e31"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>347 <tr·class="memitem:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"·id="r_aef2716c6cb98eec44713fbf7f5052e31"><td·class="memItemLeft"·align="right"·valign="top">::std::istream·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d2e/a03310.html#aef2716c6cb98eec44713fbf7f5052e31">istr_</a></td></tr>
348 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>348 <tr·class="separator:aef2716c6cb98eec44713fbf7f5052e31·inherit·pro_attribs_a03310"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
349 </table>349 </table>
350 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>350 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
351 <div·class="textblock"><p>XDR-format-based·persistence·manager.·This·class·implements·a·persistence·manager·that·reads·and·writes·its·objects·in·a·portable·binary·format.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/dcb/a03370.html">TextPersistenceManager</a>·</dd></dl>351 <div·class="textblock"><p>XDR-format-based·persistence·manager.·This·class·implements·a·persistence·manager·that·reads·and·writes·its·objects·in·a·portable·binary·format.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/dcb/a03370.html">TextPersistenceManager</a>·</dd></dl>
  
352 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">XDRPersistenceManager.h</a>.</p>352 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
353 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>353 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
354 <a·id="a8726ae6b6cca2fecb3b390c389224bfd"·name="a8726ae6b6cca2fecb3b390c389224bfd"></a>354 <a·id="a8726ae6b6cca2fecb3b390c389224bfd"·name="a8726ae6b6cca2fecb3b390c389224bfd"></a>
355 <h2·class="memtitle"><span·class="permalink"><a·href="#a8726ae6b6cca2fecb3b390c389224bfd">&#9670;&#160;</a></span>XDRPersistenceManager()·<span·class="overload">[1/4]</span></h2>355 <h2·class="memtitle"><span·class="permalink"><a·href="#a8726ae6b6cca2fecb3b390c389224bfd">&#9670;&#160;</a></span>XDRPersistenceManager()·<span·class="overload">[1/4]</span></h2>
  
356 <div·class="memitem">356 <div·class="memitem">
357 <div·class="memproto">357 <div·class="memproto">
358 ······<table·class="memname">358 ······<table·class="memname">
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2036 ··<td·class="mlabels-right">2036 ··<td·class="mlabels-right">
2037 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2037 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2038 ··</tr>2038 ··</tr>
2039 </table>2039 </table>
2040 </div><div·class="memdoc">2040 </div><div·class="memdoc">
2041 <p>A·constant·value·used·to·mark·the·beginning·of·an·object·</p>2041 <p>A·constant·value·used·to·mark·the·beginning·of·an·object·</p>
  
2042 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">XDRPersistenceManager.h</a>.</p>2042 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2043 </div>2043 </div>
2044 </div>2044 </div>
2045 <a·id="afba4d0fd70ddba23bc1ef8fe93008c89"·name="afba4d0fd70ddba23bc1ef8fe93008c89"></a>2045 <a·id="afba4d0fd70ddba23bc1ef8fe93008c89"·name="afba4d0fd70ddba23bc1ef8fe93008c89"></a>
2046 <h2·class="memtitle"><span·class="permalink"><a·href="#afba4d0fd70ddba23bc1ef8fe93008c89">&#9670;&#160;</a></span>OBJECT_TRAILER</h2>2046 <h2·class="memtitle"><span·class="permalink"><a·href="#afba4d0fd70ddba23bc1ef8fe93008c89">&#9670;&#160;</a></span>OBJECT_TRAILER</h2>
  
2047 <div·class="memitem">2047 <div·class="memitem">
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2061 ··<td·class="mlabels-right">2061 ··<td·class="mlabels-right">
2062 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2062 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2063 ··</tr>2063 ··</tr>
2064 </table>2064 </table>
2065 </div><div·class="memdoc">2065 </div><div·class="memdoc">
2066 <p>A·constant·value·used·to·mark·the·end·of·an·object·</p>2066 <p>A·constant·value·used·to·mark·the·end·of·an·object·</p>
  
2067 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">XDRPersistenceManager.h</a>.</p>2067 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2068 </div>2068 </div>
2069 </div>2069 </div>
2070 <a·id="a26e30448fa4d84abe7c8d32df1e0ab46"·name="a26e30448fa4d84abe7c8d32df1e0ab46"></a>2070 <a·id="a26e30448fa4d84abe7c8d32df1e0ab46"·name="a26e30448fa4d84abe7c8d32df1e0ab46"></a>
2071 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e30448fa4d84abe7c8d32df1e0ab46">&#9670;&#160;</a></span>STREAM_HEADER</h2>2071 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e30448fa4d84abe7c8d32df1e0ab46">&#9670;&#160;</a></span>STREAM_HEADER</h2>
  
2072 <div·class="memitem">2072 <div·class="memitem">
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2086 ··<td·class="mlabels-right">2086 ··<td·class="mlabels-right">
2087 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2087 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2088 ··</tr>2088 ··</tr>
2089 </table>2089 </table>
2090 </div><div·class="memdoc">2090 </div><div·class="memdoc">
2091 <p>A·constant·value·used·to·mark·the·beginning·of·a·persistent·stream·</p>2091 <p>A·constant·value·used·to·mark·the·beginning·of·a·persistent·stream·</p>
  
2092 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">XDRPersistenceManager.h</a>.</p>2092 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2093 </div>2093 </div>
2094 </div>2094 </div>
2095 <a·id="a7b79054b4887e2c2a9c4d6d0cb55bf6a"·name="a7b79054b4887e2c2a9c4d6d0cb55bf6a"></a>2095 <a·id="a7b79054b4887e2c2a9c4d6d0cb55bf6a"·name="a7b79054b4887e2c2a9c4d6d0cb55bf6a"></a>
2096 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b79054b4887e2c2a9c4d6d0cb55bf6a">&#9670;&#160;</a></span>STREAM_TRAILER</h2>2096 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b79054b4887e2c2a9c4d6d0cb55bf6a">&#9670;&#160;</a></span>STREAM_TRAILER</h2>
  
2097 <div·class="memitem">2097 <div·class="memitem">
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2111 ··<td·class="mlabels-right">2111 ··<td·class="mlabels-right">
2112 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>2112 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
2113 ··</tr>2113 ··</tr>
2114 </table>2114 </table>
2115 </div><div·class="memdoc">2115 </div><div·class="memdoc">
2116 <p>A·constant·value·used·to·mark·the·end·of·a·persistent·stream·</p>2116 <p>A·constant·value·used·to·mark·the·end·of·a·persistent·stream·</p>
  
2117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a01373_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d7/d38/a01373_source.html">XDRPersistenceManager.h</a>.</p>2117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d00/a00785_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d3/d00/a00785_source.html">XDRPersistenceManager.h</a>.</p>
  
2118 </div>2118 </div>
2119 </div>2119 </div>
2120 </div><!--·contents·-->2120 </div><!--·contents·-->
2121 <!--·start·footer·part·-->2121 <!--·start·footer·part·-->
2122 <hr·class="footer"/><address·class="footer"><small>2122 <hr·class="footer"/><address·class="footer"><small>
2123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.82123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·SESFace.h·File·Reference</title>8 <title>BALL:·solventExcludedSurface.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">SESFace.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">solventExcludedSurface.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d02/a01808_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d78/a01745_source.html">BALL/STRUCTURE/SESEdge.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/dd5/a01742_source.html">BALL/STRUCTURE/RSEdge.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/SESFace.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d5/db3/a01751_source.html">BALL/STRUCTURE/RSFace.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dc/d31/a01892_source.html">BALL/STRUCTURE/RSVertex.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../db/d6b/a01853_source.html">BALL/STRUCTURE/SESVertex.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../df/da9/a00263_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/MATHS/vector4.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;vector&gt;</code><br·/>
 94 <code>#include·&lt;list&gt;</code><br·/>
86 </div>95 </div>
87 <p><a·href="../../db/d7f/a01718_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../db/d7f/a01718_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">97 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>99 Classes</h2></td></tr>
 100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d12/a07270.html">BALL::SolventExcludedSurface</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d5c/a07166.html">BALL::SESFace</a></td></tr>102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html">BALL::SESComputer</a></td></tr>
 103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/dc9/a07278.html">BALL::SESSingularityCleaner</a></td></tr>
 105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dd6/a07282.html">BALL::SESSingularityCleaner::ProbeIntersection</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">108 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>110 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>111 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>112 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table><table·class="memberdecls">113 </table><table·class="memberdecls">
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>114 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
100 Functions</h2></td></tr>115 Functions</h2></td></tr>
101 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>116 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
102 <tr·class="memitem:ga988cd70668aa1339e8e8948d2fe318dd"·id="r_ga988cd70668aa1339e8e8948d2fe318dd"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·[·...·truncated·by·diffoscope;·len:·243,·SHA:·43e0f950e073446e76e5a734971bd4562c5fd9882fe2742df58f9bc1ce828fb9·...·])</td></tr>117 <tr·class="memitem:gad18ab80a00212b9793f759996c0e6ea4"·id="r_gad18ab80a00212b9793f759996c0e6ea4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·[·...·truncated·by·diffoscope;·len:·254,·SHA:·890ba3a15125b0b02293e5c2dcc48396cf0aa23ef39030aeafcdd11b1abc2b53·...·])</td></tr>
103 <tr·class="separator:ga988cd70668aa1339e8e8948d2fe318dd"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:gad18ab80a00212b9793f759996c0e6ea4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>119 </table>
105 </div><!--·contents·-->120 </div><!--·contents·-->
106 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
107 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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110 </body>125 </body>
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79 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyErrors·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::TooManyErrors·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··
83 ·<a·href="../../db/d7f/a03150.html#details">More...</a></p>83 ·<a·href="../../db/d7f/a03150.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::Exception::TooManyErrors:</div>86 Inheritance·diagram·for·BALL::Exception::TooManyErrors:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../db/d7f/a03150.png"·usemap="#BALL::Exception::TooManyErrors_map"·alt=""/>89 ··<img·src="../../db/d7f/a03150.png"·usemap="#BALL::Exception::TooManyErrors_map"·alt=""/>
90 ··<map·id="BALL::Exception::TooManyErrors_map"·name="BALL::Exception::TooManyErrors_map">90 ··<map·id="BALL::Exception::TooManyErrors_map"·name="BALL::Exception::TooManyErrors_map">
91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.·</p>146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00427">427</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00427">427</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a8f393fd7d1117e6a0da52d2497d4fbe4"·name="a8f393fd7d1117e6a0da52d2497d4fbe4"></a>149 <a·id="a8f393fd7d1117e6a0da52d2497d4fbe4"·name="a8f393fd7d1117e6a0da52d2497d4fbe4"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f393fd7d1117e6a0da52d2497d4fbe4">&#9670;&#160;</a></span>TooManyErrors()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a8f393fd7d1117e6a0da52d2497d4fbe4">&#9670;&#160;</a></span>TooManyErrors()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
152 <div·class="memproto">152 <div·class="memproto">
153 ······<table·class="memname">153 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d1/d16/a07463.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d16/a07463.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorUnit·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../db/dd5/a02199.html">Datatypes·for·the·VIEW·framework</a>·&raquo;·<a·class="el"·href="../../dd/d14/a02201.html">Format·conversion·classes·used·by·the·color·classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/df8/a00155_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
85 Classes</h2></td></tr>85 Classes</h2></td></tr>
86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a></td></tr>86 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd6/a07470.html">NotInHexFormat</a></td></tr>
87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table><table·class="memberdecls">88 </table><table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
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240 <tr·class="separator:abe0ca33f7e6c8d93f9df4428ab31d69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>240 <tr·class="separator:abe0ca33f7e6c8d93f9df4428ab31d69b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
241 <tr·class="memitem:a1f9e86e4043584661573083b82eb2c28"·id="r_a1f9e86e4043584661573083b82eb2c28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d86/a07466.html#a1f9e86e4043584661573083b82eb2c28">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·&amp;color_unit)</td></tr>241 <tr·class="memitem:a1f9e86e4043584661573083b82eb2c28"·id="r_a1f9e86e4043584661573083b82eb2c28"><td·class="memItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d86/a07466.html#a1f9e86e4043584661573083b82eb2c28">operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·&amp;color_unit)</td></tr>
242 <tr·class="separator:a1f9e86e4043584661573083b82eb2c28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>242 <tr·class="separator:a1f9e86e4043584661573083b82eb2c28"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
243 </table>243 </table>
244 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>244 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
245 <div·class="textblock"><p><a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·class.·An·instance·of·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·can·represent·a·value·for·the·red,·green,·blue·and·alpha·component·of·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>.·Furthermore·this·class·is·used·for·the·value·and·saturation·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·color·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·0-255,·the·float·values·are·of·range·0-1.0·and·the·strings·given·are·in·hex·format·"00"-"FF".·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·provides·certain·conversion·functions·as·well,·that·will·convert·its·value·to·the·needed·type.·This·class·is·used·by·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·and·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>245 <div·class="textblock"><p><a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·class.·An·instance·of·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·can·represent·a·value·for·the·red,·green,·blue·and·alpha·component·of·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>.·Furthermore·this·class·is·used·for·the·value·and·saturation·component·of·the·class·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·The·class·handles·the·many·possible·variations·a·color·value·can·be·set·(e.g.·integer,·float,·string·values·can·be·given·as·parameter).·The·integer·values·are·of·range·0-255,·the·float·values·are·of·range·0-1.0·and·the·strings·given·are·in·hex·format·"00"-"FF".·<a·class="el"·href="../../db/d86/a07466.html">ColorUnit</a>·provides·certain·conversion·functions·as·well,·that·will·convert·its·value·to·the·needed·type.·This·class·is·used·by·the·class·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·and·<a·class="el"·href="../../d2/d64/a07454.html">ColorHSV</a>.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/df8/a00155_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/df8/a00155_source.html">colorUnit.h</a>.</p>246 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da4/a01343_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/da4/a01343_source.html">colorUnit.h</a>.</p>
247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>247 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
248 <a·id="a4906843c0b501c0c94c66fb2c9de50d6"·name="a4906843c0b501c0c94c66fb2c9de50d6"></a>248 <a·id="a4906843c0b501c0c94c66fb2c9de50d6"·name="a4906843c0b501c0c94c66fb2c9de50d6"></a>
249 <h2·class="memtitle"><span·class="permalink"><a·href="#a4906843c0b501c0c94c66fb2c9de50d6">&#9670;&#160;</a></span>ColorUnit()·<span·class="overload">[1/13]</span></h2>249 <h2·class="memtitle"><span·class="permalink"><a·href="#a4906843c0b501c0c94c66fb2c9de50d6">&#9670;&#160;</a></span>ColorUnit()·<span·class="overload">[1/13]</span></h2>
  
250 <div·class="memitem">250 <div·class="memitem">
251 <div·class="memproto">251 <div·class="memproto">
252 ······<table·class="memname">252 ······<table·class="memname">
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80 <div·class="contents">80 <div·class="contents">
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91 <p><a·href="../../db/d8e/a00482_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../db/d8e/a00482_source.html">Go·to·the·source·code·of·this·file.</a></p>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d0a/a01526_source.html">BALL/MOLMEC/MDSIMULATION/molecularDynamics.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d47/a01487_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
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82 </div>85 </div>
83 <p><a·href="../../db/d8e/a01523_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/d8e/a01523_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
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93 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
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100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
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70 ··<ul>70 ··<ul>
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72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../db/d95/a01637_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../db/d95/a01637_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc7/a05066.html">BALL::BendComponent</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9c/a05530.html">BALL::ShiftModel1D</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../de/d5f/a06579.html">List·of·all·members</a>··</div>78 <a·href="../../de/d5f/a06579.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FDPB::DielectricSmoothing·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FDPB::DielectricSmoothing·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d2e/a00056_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a53536fb87a647e8f8cfed258529ae4ce"·id="r_a53536fb87a647e8f8cfed258529ae4ce"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a53536fb87a647e8f8cfed258529ae4ce">NONE</a></td></tr>86 <tr·class="memitem:a53536fb87a647e8f8cfed258529ae4ce"·id="r_a53536fb87a647e8f8cfed258529ae4ce"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a53536fb87a647e8f8cfed258529ae4ce">NONE</a></td></tr>
87 <tr·class="separator:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a53536fb87a647e8f8cfed258529ae4ce"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a735c7e3fe2cfed047bce6e316b5503f8"·id="r_a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a735c7e3fe2cfed047bce6e316b5503f8">UNIFORM</a></td></tr>88 <tr·class="memitem:a735c7e3fe2cfed047bce6e316b5503f8"·id="r_a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#a735c7e3fe2cfed047bce6e316b5503f8">UNIFORM</a></td></tr>
89 <tr·class="separator:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a735c7e3fe2cfed047bce6e316b5503f8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aa362113ac5e173c25ead8e098f335ef6"·id="r_aa362113ac5e173c25ead8e098f335ef6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#aa362113ac5e173c25ead8e098f335ef6">HARMONIC</a></td></tr>90 <tr·class="memitem:aa362113ac5e173c25ead8e098f335ef6"·id="r_aa362113ac5e173c25ead8e098f335ef6"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da5/a06582.html#aa362113ac5e173c25ead8e098f335ef6">HARMONIC</a></td></tr>
91 <tr·class="separator:aa362113ac5e173c25ead8e098f335ef6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa362113ac5e173c25ead8e098f335ef6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·dielectric·smoothing·methods.·To·increase·the·accuracy·of·a·<a·class="el"·href="../../de/d3f/a06566.html">FDPB</a>·calculation·it·prooved·advantageous·to·smooth·the·discrete·values·for·the·dielectric·constant·on·the·grid.·We·recommend·the·use·of·harmonic·smoothing·(which·happens·to·be·the·default·Default::dielectric_smoothing).·</p>94 <div·class="textblock"><p><a·class="el"·href="../../d4/d54/a02218.html">Constants</a>·to·define·the·dielectric·smoothing·methods.·To·increase·the·accuracy·of·a·<a·class="el"·href="../../de/d3f/a06566.html">FDPB</a>·calculation·it·prooved·advantageous·to·smooth·the·discrete·values·for·the·dielectric·constant·on·the·grid.·We·recommend·the·use·of·harmonic·smoothing·(which·happens·to·be·the·default·Default::dielectric_smoothing).·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d2e/a00056_source.html#l00472">472</a>·of·file·<a·class="el"·href="../../d9/d2e/a00056_source.html">poissonBoltzmann.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00472">472</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="aa362113ac5e173c25ead8e098f335ef6"·name="aa362113ac5e173c25ead8e098f335ef6"></a>97 <a·id="aa362113ac5e173c25ead8e098f335ef6"·name="aa362113ac5e173c25ead8e098f335ef6"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa362113ac5e173c25ead8e098f335ef6">&#9670;&#160;</a></span>HARMONIC</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aa362113ac5e173c25ead8e098f335ef6">&#9670;&#160;</a></span>HARMONIC</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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119 <picture><source·srcset="../../form_90_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[119 <picture><source·srcset="../../form_90_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[
120 ····\varepsilon_0·=·\frac{1}{\sum_{i=1}^{26}·\frac{1}{\varepsilon_i}·+·\frac{1}{\varepsilon_0}}120 ····\varepsilon_0·=·\frac{1}{\sum_{i=1}^{26}·\frac{1}{\varepsilon_i}·+·\frac{1}{\varepsilon_0}}
121 \]"·src="../../form_90.png"·width="103"·height="34"/></picture>121 \]"·src="../../form_90.png"·width="103"·height="34"/></picture>
122 </p>122 </p>
123 ·</dd></dl>123 ·</dd></dl>
124 <dl·class="section·user"><dt></dt><dd></dd></dl>124 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d2e/a00056_source.html#l00494">494</a>·of·file·<a·class="el"·href="../../d9/d2e/a00056_source.html">poissonBoltzmann.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00494">494</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="a53536fb87a647e8f8cfed258529ae4ce"·name="a53536fb87a647e8f8cfed258529ae4ce"></a>128 <a·id="a53536fb87a647e8f8cfed258529ae4ce"·name="a53536fb87a647e8f8cfed258529ae4ce"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a53536fb87a647e8f8cfed258529ae4ce">&#9670;&#160;</a></span>NONE</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a53536fb87a647e8f8cfed258529ae4ce">&#9670;&#160;</a></span>NONE</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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144 ··<td·class="mlabels-right">144 ··<td·class="mlabels-right">
145 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>145 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
146 ··</tr>146 ··</tr>
147 </table>147 </table>
148 </div><div·class="memdoc">148 </div><div·class="memdoc">
149 <p>Do·not·perform·any·smoothing·</p>149 <p>Do·not·perform·any·smoothing·</p>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d2e/a00056_source.html#l00476">476</a>·of·file·<a·class="el"·href="../../d9/d2e/a00056_source.html">poissonBoltzmann.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00476">476</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
151 </div>151 </div>
152 </div>152 </div>
153 <a·id="a735c7e3fe2cfed047bce6e316b5503f8"·name="a735c7e3fe2cfed047bce6e316b5503f8"></a>153 <a·id="a735c7e3fe2cfed047bce6e316b5503f8"·name="a735c7e3fe2cfed047bce6e316b5503f8"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#a735c7e3fe2cfed047bce6e316b5503f8">&#9670;&#160;</a></span>UNIFORM</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#a735c7e3fe2cfed047bce6e316b5503f8">&#9670;&#160;</a></span>UNIFORM</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
Offset 175, 15 lines modifiedOffset 175, 15 lines modified
175 <picture><source·srcset="../../form_89_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[175 <picture><source·srcset="../../form_89_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaDsp"·alt="\[
176 ····\varepsilon_0·=·\frac{1}{27}·\left(·\sum_{i=1}^{26}·\varepsilon_i·+·\varepsilon_0·\right)176 ····\varepsilon_0·=·\frac{1}{27}·\left(·\sum_{i=1}^{26}·\varepsilon_i·+·\varepsilon_0·\right)
177 \]"·src="../../form_89.png"·width="119"·height="39"/></picture>177 \]"·src="../../form_89.png"·width="119"·height="39"/></picture>
178 </p>178 </p>
179 ·</dd></dl>179 ·</dd></dl>
180 <dl·class="section·user"><dt></dt><dd></dd></dl>180 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d2e/a00056_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d9/d2e/a00056_source.html">poissonBoltzmann.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dce/a01946_source.html#l00485">485</a>·of·file·<a·class="el"·href="../../d0/dce/a01946_source.html">poissonBoltzmann.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 </div><!--·contents·-->184 </div><!--·contents·-->
185 <!--·start·footer·part·-->185 <!--·start·footer·part·-->
186 <hr·class="footer"/><address·class="footer"><small>186 <hr·class="footer"/><address·class="footer"><small>
187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8187 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#var-members">Variables</a>··</div>77 <a·href="#var-members">Variables</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::__private·Namespace·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::__private·Namespace·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <table·class="memberdecls">81 <table·class="memberdecls">
82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>82 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
83 Variables</h2></td></tr>83 Variables</h2></td></tr>
84 <tr·class="memitem:a54a51a7528439f6e784397b593cfaf93"·id="r_a54a51a7528439f6e784397b593cfaf93"><td·class="memItemLeft"·align="right"·valign="top">const·signed·char·<a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a02224.html#a54a51a7528439f6e784397b593cfaf93">neighbour_table_</a>·[27][3]</td></tr>84 <tr·class="memitem:a54a51a7528439f6e784397b593cfaf93"·id="r_a54a51a7528439f6e784397b593cfaf93"><td·class="memItemLeft"·align="right"·valign="top">const·signed·char·<a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a02224.html#a54a51a7528439f6e784397b593cfaf93">neighbour_table_</a>·[27][3]</td></tr>
85 <tr·class="separator:a54a51a7528439f6e784397b593cfaf93"><td·class="memSeparator"·colspan="2">&#160;</td></tr>85 <tr·class="separator:a54a51a7528439f6e784397b593cfaf93"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
86 </table>86 </table>
87 <h2·class="groupheader">Variable·Documentation</h2>87 <h2·class="groupheader">Variable·Documentation</h2>
88 <a·id="a54a51a7528439f6e784397b593cfaf93"·name="a54a51a7528439f6e784397b593cfaf93"></a>88 <a·id="a54a51a7528439f6e784397b593cfaf93"·name="a54a51a7528439f6e784397b593cfaf93"></a>
89 <h2·class="memtitle"><span·class="permalink"><a·href="#a54a51a7528439f6e784397b593cfaf93">&#9670;&#160;</a></span>neighbour_table_</h2>89 <h2·class="memtitle"><span·class="permalink"><a·href="#a54a51a7528439f6e784397b593cfaf93">&#9670;&#160;</a></span>neighbour_table_</h2>
  
90 <div·class="memitem">90 <div·class="memitem">
91 <div·class="memproto">91 <div·class="memproto">
92 <table·class="mlabels">92 <table·class="mlabels">
93 ··<tr>93 ··<tr>
94 ··<td·class="mlabels-left">94 ··<td·class="mlabels-left">
95 ······<table·class="memname">95 ······<table·class="memname">
96 ········<tr>96 ········<tr>
97 ··········<td·class="memname">const·signed·char·<a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·BALL::__private::neighbour_table_[27][3]</td>97 ··········<td·class="memname">const·signed·char·<a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·BALL::__private::neighbour_table_[27][3]</td>
98 ········</tr>98 ········</tr>
99 ······</table>99 ······</table>
100 ··</td>100 ··</td>
101 ··<td·class="mlabels-right">101 ··<td·class="mlabels-right">
102 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>102 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>
103 ··</tr>103 ··</tr>
104 </table>104 </table>
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79 ··<div·class="headertitle"><div·class="title">snapShot.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">haighMallionShiftProcessor.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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83 </div>86 </div>
84 <p><a·href="../../db/dad/a01616_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../db/dad/a01616_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
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102 <tr·class="memdesc:ab593014d55b641996644525825ed2ce7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Input·stream·operator·for·SnapShots.··<br·/></td></tr> 
103 <tr·class="separator:ab593014d55b641996644525825ed2ce7"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">partialChargeDescriptors.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">editMode.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
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 82 <code>#include·&lt;QtGui/QMouseEvent&gt;</code><br·/>
 83 <code>#include·&lt;vector&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../db/daf/a01019_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/daf/a01019_source.html">Go·to·the·source·code·of·this·file.</a></p>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d3/deb/a06543.html">List·of·all·members</a>··</div>78 <a·href="../../d3/deb/a06543.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PCMCavFreeEnergyProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/dff/a01910_source.html">BALL/SOLVATION/PCMCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a0b35a614e95183f85de6289b001c57f3"·id="r_a0b35a614e95183f85de6289b001c57f3"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a0b35a614e95183f85de6289b001c57f3">VERBOSITY</a></td></tr>86 <tr·class="memitem:a0b35a614e95183f85de6289b001c57f3"·id="r_a0b35a614e95183f85de6289b001c57f3"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a0b35a614e95183f85de6289b001c57f3">VERBOSITY</a></td></tr>
87 <tr·class="separator:a0b35a614e95183f85de6289b001c57f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a0b35a614e95183f85de6289b001c57f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a6f3ff96bef223dc2f85119d09b198e2c"·id="r_a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a6f3ff96bef223dc2f85119d09b198e2c">SOLVENT_NUMBER_DENSITY</a></td></tr>88 <tr·class="memitem:a6f3ff96bef223dc2f85119d09b198e2c"·id="r_a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#a6f3ff96bef223dc2f85119d09b198e2c">SOLVENT_NUMBER_DENSITY</a></td></tr>
89 <tr·class="separator:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a6f3ff96bef223dc2f85119d09b198e2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="separator:a63139e5010fada6e122ab711317677e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:a63139e5010fada6e122ab711317677e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 <tr·class="memitem:ae640609651b49d868e8905ad29352112"·id="r_ae640609651b49d868e8905ad29352112"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#ae640609651b49d868e8905ad29352112">PROBE_RADIUS</a></td></tr>93 <tr·class="memitem:ae640609651b49d868e8905ad29352112"·id="r_ae640609651b49d868e8905ad29352112"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/db0/a06546.html#ae640609651b49d868e8905ad29352112">PROBE_RADIUS</a></td></tr>
94 <tr·class="separator:ae640609651b49d868e8905ad29352112"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:ae640609651b49d868e8905ad29352112"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table>95 </table>
96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>96 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
97 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d6/d95/a06542.html#a75d095fa80f87e87dd8ec722d0c868a8">PCMCavFreeEnergyProcessor::options</a>.·</p>97 <div·class="textblock"><p>Symbolic·names·for·option·keys.·This·struct·contains·a·symbolic·name·for·each·recognized·key·in·<a·class="el"·href="../../d6/d95/a06542.html#a75d095fa80f87e87dd8ec722d0c868a8">PCMCavFreeEnergyProcessor::options</a>.·</p>
  
98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>98 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00042">42</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
99 </div><h2·class="groupheader">Member·Data·Documentation</h2>99 </div><h2·class="groupheader">Member·Data·Documentation</h2>
100 <a·id="a63139e5010fada6e122ab711317677e7"·name="a63139e5010fada6e122ab711317677e7"></a>100 <a·id="a63139e5010fada6e122ab711317677e7"·name="a63139e5010fada6e122ab711317677e7"></a>
101 <h2·class="memtitle"><span·class="permalink"><a·href="#a63139e5010fada6e122ab711317677e7">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>101 <h2·class="memtitle"><span·class="permalink"><a·href="#a63139e5010fada6e122ab711317677e7">&#9670;&#160;</a></span>ABSOLUTE_TEMPERATURE</h2>
  
102 <div·class="memitem">102 <div·class="memitem">
103 <div·class="memproto">103 <div·class="memproto">
104 <table·class="mlabels">104 <table·class="mlabels">
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121 <dl·class="params"><dt>Parameters</dt><dd>121 <dl·class="params"><dt>Parameters</dt><dd>
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124 ··</table>124 ··</table>
125 ··</dd>125 ··</dd>
126 </dl>126 </dl>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="ae640609651b49d868e8905ad29352112"·name="ae640609651b49d868e8905ad29352112"></a>130 <a·id="ae640609651b49d868e8905ad29352112"·name="ae640609651b49d868e8905ad29352112"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#ae640609651b49d868e8905ad29352112">&#9670;&#160;</a></span>PROBE_RADIUS</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#ae640609651b49d868e8905ad29352112">&#9670;&#160;</a></span>PROBE_RADIUS</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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152 <dl·class="params"><dt>Parameters</dt><dd>152 <dl·class="params"><dt>Parameters</dt><dd>
153 ··<table·class="params">153 ··<table·class="params">
154 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>154 ····<tr><td·class="paramname">probe_radius</td><td>float;·</td></tr>
155 ··</table>155 ··</table>
156 ··</dd>156 ··</dd>
157 </dl>157 </dl>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <a·id="a6f3ff96bef223dc2f85119d09b198e2c"·name="a6f3ff96bef223dc2f85119d09b198e2c"></a>161 <a·id="a6f3ff96bef223dc2f85119d09b198e2c"·name="a6f3ff96bef223dc2f85119d09b198e2c"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f3ff96bef223dc2f85119d09b198e2c">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#a6f3ff96bef223dc2f85119d09b198e2c">&#9670;&#160;</a></span>SOLVENT_NUMBER_DENSITY</h2>
  
163 <div·class="memitem">163 <div·class="memitem">
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183 <dl·class="params"><dt>Parameters</dt><dd>183 <dl·class="params"><dt>Parameters</dt><dd>
184 ··<table·class="params">184 ··<table·class="params">
185 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>185 ····<tr><td·class="paramname">solvent_number_density</td><td>float·</td></tr>
186 ··</table>186 ··</table>
187 ··</dd>187 ··</dd>
188 </dl>188 </dl>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dff/a01910_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/dff/a01910_source.html">PCMCavFreeEnergyProcessor.h</a>.</p>
  
190 </div>190 </div>
191 </div>191 </div>
192 <a·id="a0b35a614e95183f85de6289b001c57f3"·name="a0b35a614e95183f85de6289b001c57f3"></a>192 <a·id="a0b35a614e95183f85de6289b001c57f3"·name="a0b35a614e95183f85de6289b001c57f3"></a>
193 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b35a614e95183f85de6289b001c57f3">&#9670;&#160;</a></span>VERBOSITY</h2>193 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b35a614e95183f85de6289b001c57f3">&#9670;&#160;</a></span>VERBOSITY</h2>
  
194 <div·class="memitem">194 <div·class="memitem">
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214 <dl·class="params"><dt>Parameters</dt><dd>214 <dl·class="params"><dt>Parameters</dt><dd>
215 ··<table·class="params">215 ··<table·class="params">
216 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>216 ····<tr><td·class="paramname">verbosity</td><td>integer·</td></tr>
217 ··</table>217 ··</table>
218 ··</dd>218 ··</dd>
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79 </div><!--header-->80 </div><!--header-->
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83 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code><br·/>
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85 <p><a·href="../../db/db2/a00020_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/db2/a00020_source.html">Go·to·the·source·code·of·this·file.</a></p>
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85 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;algorithm&gt;</code><br·/> 
87 </div>83 </div>
88 <p><a·href="../../db/db6/a00074_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../db/db6/a00074_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">85 <table·class="memberdecls">
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79 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">lineModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">kplsModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/VIEW/MODELS/atomBondModelBaseProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../db/d43/a00422_source.html">BALL/QSAR/latentVariableModel.h</a>&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../db/dbc/a00395_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/dbc/a00395_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
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88 ··<map·id="BALL::Exception::BufferOverflow_map"·name="BALL::Exception::BufferOverflow_map">88 ··<map·id="BALL::Exception::BufferOverflow_map"·name="BALL::Exception::BufferOverflow_map">
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Buffer·overflow·exception.·<br··/>143 <div·class="textblock"><p>Buffer·overflow·exception.·<br··/>
144 ·</p>144 ·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00331">331</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00331">331</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#ac194547f9e7f98cf98a2a823ab19a305">&#9670;&#160;</a></span>BufferOverflow()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ac194547f9e7f98cf98a2a823ab19a305">&#9670;&#160;</a></span>BufferOverflow()</h2>
  
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8 <title>BALL:·peptideBuilder.h·File·Reference</title>8 <title>BALL:·secondaryStructureProcessor.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">peptideBuilder.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">secondaryStructureProcessor.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;vector&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../db/dbe/a01706_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../db/dbe/a01706_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/ddf/a07002.html">BALL::Peptides::AminoAcidDescriptor</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d1d/a07006.html">BALL::Peptides::PeptideBuilder</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d40/a07158.html">BALL::SecondaryStructureProcessor</a></td></tr>
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94 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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97 <tr·class="memitem:d7/da1/a02231"·id="r_d7/da1/a02231"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/da1/a02231.html">BALL::Peptides</a></td></tr> 
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101 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·STLRenderer.h·File·Reference</title>8 <title>BALL:·circle3.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">STLRenderer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">circle3.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d42/a00269_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../db/dc3/a00284_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../db/dc3/a00284_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
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92 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
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94 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>95 </table><table·class="memberdecls">
 96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
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98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:ga5064f4ce78d2598c86fa41e000f528bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 100 <tr·class="memitem:gae118e927880e9b77d6db7f90481c4b78"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gae118e927880e9b77d6db7f90481c4b78">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;·T·&gt;·&amp;circle)</td></tr>
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 103 <tr·class="memitem:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga8a53e5e9e51c1b15f3d5ee0a14a95077">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;·T·&gt;·&amp;circle)</td></tr>
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102 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/dc2/a07135.html">List·of·all·members</a>··</div>77 <a·href="../../dc/dc2/a07135.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SASVertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SASVertex·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d1/da7/a01709_source.html">BALL/STRUCTURE/SASVertex.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/d4a/a01862_source.html">BALL/STRUCTURE/SASVertex.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::SASVertex:</div>83 Inheritance·diagram·for·BALL::SASVertex:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/dcc/a07138.png"·usemap="#BALL::SASVertex_map"·alt=""/>86 ··<img·src="../../db/dcc/a07138.png"·usemap="#BALL::SASVertex_map"·alt=""/>
87 ··<map·id="BALL::SASVertex_map"·name="BALL::SASVertex_map">87 ··<map·id="BALL::SASVertex_map"·name="BALL::SASVertex_map">
88 <area·href="../../da/d5b/a06902.html"·alt="BALL::GraphVertex&lt;·SASVertex,·SASEdge,·SASFace·&gt;"·shape="rect"·coords="0,0,333,24"/>88 <area·href="../../da/d5b/a06902.html"·alt="BALL::GraphVertex&lt;·SASVertex,·SASEdge,·SASFace·&gt;"·shape="rect"·coords="0,0,333,24"/>
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228 </table>228 </table>
229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>229 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
230 <div·class="textblock"><p>Generic·<a·class="el"·href="../../db/dcc/a07138.html">SASVertex</a>·Class.·<br··/>230 <div·class="textblock"><p>Generic·<a·class="el"·href="../../db/dcc/a07138.html">SASVertex</a>·Class.·<br··/>
231 ·&lt;&gt;·</p>231 ·&lt;&gt;·</p>
  
232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">SASVertex.h</a>.</p>232 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d4a/a01862_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d0/d4a/a01862_source.html">SASVertex.h</a>.</p>
233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>233 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
234 <a·id="aa8799540b28dc3250f5d61179fa639cf"·name="aa8799540b28dc3250f5d61179fa639cf"></a>234 <a·id="aa8799540b28dc3250f5d61179fa639cf"·name="aa8799540b28dc3250f5d61179fa639cf"></a>
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236 <div·class="memitem">236 <div·class="memitem">
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593 ··</td>593 ··</td>
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595 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>595 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
596 ··</tr>596 ··</tr>
597 </table>597 </table>
598 </div><div·class="memdoc">598 </div><div·class="memdoc">
  
599 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">SASVertex.h</a>.</p>599 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d4a/a01862_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d0/d4a/a01862_source.html">SASVertex.h</a>.</p>
  
600 </div>600 </div>
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617 ··</td>617 ··</td>
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620 ··</tr>620 ··</tr>
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624 </div>624 </div>
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665 ··</td>665 ··</td>
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668 ··</tr>668 ··</tr>
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671 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">SASVertex.h</a>.</p>671 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d4a/a01862_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d0/d4a/a01862_source.html">SASVertex.h</a>.</p>
  
672 </div>672 </div>
673 </div>673 </div>
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675 <h2·class="memtitle"><span·class="permalink"><a·href="#a793326e7f684255b2ca0f7e61c313cff">&#9670;&#160;</a></span>TriangulatedSAS</h2>675 <h2·class="memtitle"><span·class="permalink"><a·href="#a793326e7f684255b2ca0f7e61c313cff">&#9670;&#160;</a></span>TriangulatedSAS</h2>
  
676 <div·class="memitem">676 <div·class="memitem">
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689 ··</td>689 ··</td>
690 ··<td·class="mlabels-right">690 ··<td·class="mlabels-right">
691 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>691 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
692 ··</tr>692 ··</tr>
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696 </div>696 </div>
697 </div>697 </div>
698 <h2·class="groupheader">Member·Data·Documentation</h2>698 <h2·class="groupheader">Member·Data·Documentation</h2>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../d1/ddf/a06955.html">List·of·all·members</a>··</div>78 <a·href="../../d1/ddf/a06955.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Elements_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::Elements_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
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85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:af0bc078deac91f3b689f574dc1c4058e"·id="r_af0bc078deac91f3b689f574dc1c4058e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dce/a06958.html#af0bc078deac91f3b689f574dc1c4058e">type</a></td></tr>86 <tr·class="memitem:af0bc078deac91f3b689f574dc1c4058e"·id="r_af0bc078deac91f3b689f574dc1c4058e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dce/a06958.html#af0bc078deac91f3b689f574dc1c4058e">type</a></td></tr>
87 <tr·class="memdesc:af0bc078deac91f3b689f574dc1c4058e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·type.··<br·/></td></tr>87 <tr·class="memdesc:af0bc078deac91f3b689f574dc1c4058e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·type.··<br·/></td></tr>
88 <tr·class="separator:af0bc078deac91f3b689f574dc1c4058e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:af0bc078deac91f3b689f574dc1c4058e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="memdesc:ac5dee4ffe81ede06572edec47ee7b8de"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Hybridization·state.··<br·/></td></tr>90 <tr·class="memdesc:ac5dee4ffe81ede06572edec47ee7b8de"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Hybridization·state.··<br·/></td></tr>
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92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Struct·for·atom·types·and·hybridization·states·</p>94 <div·class="textblock"><p>Struct·for·atom·types·and·hybridization·states·</p>
  
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107 ········</tr>107 ········</tr>
108 ······</table>108 ······</table>
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110 <p>Hybridization·state.·</p>110 <p>Hybridization·state.·</p>
  
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112 </div>112 </div>
113 </div>113 </div>
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115 <h2·class="memtitle"><span·class="permalink"><a·href="#af0bc078deac91f3b689f574dc1c4058e">&#9670;&#160;</a></span>type</h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#af0bc078deac91f3b689f574dc1c4058e">&#9670;&#160;</a></span>type</h2>
  
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126 ······</table>126 ······</table>
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77 <a·href="../../d5/da4/a05727.html">List·of·all·members</a>··</div>77 <a·href="../../d5/da4/a05727.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KernelModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::KernelModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::KernelModel:</div>83 Inheritance·diagram·for·BALL::QSAR::KernelModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../db/dd1/a05730.png"·usemap="#BALL::QSAR::KernelModel_map"·alt=""/>86 ··<img·src="../../db/dd1/a05730.png"·usemap="#BALL::QSAR::KernelModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::KernelModel_map"·name="BALL::QSAR::KernelModel_map">87 ··<map·id="BALL::QSAR::KernelModel_map"·name="BALL::QSAR::KernelModel_map">
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270 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>270 <tr·class="memitem:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"·id="r_a98cf33042b9e2ce9dbc716fc1842f73a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a98cf33042b9e2ce9dbc716fc1842f73a">type_</a></td></tr>
271 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>271 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
272 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>272 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
273 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>273 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
274 </table>274 </table>
275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
276 <div·class="textblock">276 <div·class="textblock">
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">kernelModel.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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281 <div·class="memitem">281 <div·class="memitem">
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734 ··</td>734 ··</td>
735 ··<td·class="mlabels-right">735 ··<td·class="mlabels-right">
736 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>736 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
737 ··</tr>737 ··</tr>
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740 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">kernelModel.h</a>.</p>740 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
  
741 </div>741 </div>
742 </div>742 </div>
743 <h2·class="groupheader">Member·Data·Documentation</h2>743 <h2·class="groupheader">Member·Data·Documentation</h2>
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745 <h2·class="memtitle"><span·class="permalink"><a·href="#af59b8815c591e55025e6c29bb44923d9">&#9670;&#160;</a></span>K_</h2>745 <h2·class="memtitle"><span·class="permalink"><a·href="#af59b8815c591e55025e6c29bb44923d9">&#9670;&#160;</a></span>K_</h2>
  
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760 ··<td·class="mlabels-right">760 ··<td·class="mlabels-right">
761 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>761 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
762 ··</tr>762 ··</tr>
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765 <p>Matrix·containing·the·pairwise·distances·between·all·substances·</p>765 <p>Matrix·containing·the·pairwise·distances·between·all·substances·</p>
  
766 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d88/a00962_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../df/d88/a00962_source.html">kernelModel.h</a>.</p>766 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d10/a00350_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../db/d10/a00350_source.html">kernelModel.h</a>.</p>
  
767 </div>767 </div>
768 </div>768 </div>
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82 </div><!--header-->82 </div><!--header-->
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">standardDatasets.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">forceFieldParameters.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d7d/a00161_source.html">BALL/VIEW/DATATYPE/dataset.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../df/d6a/a00119_source.html">BALL/DATATYPE/regularData2D.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../da/d24/a00068_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/VIEW/DATATYPE/raytraceableGrid.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../dc/d19/a00515_source.html">BALL/VIEW/DIALOGS/raytraceableContourSurfaceDialog.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
89 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
90 </div>84 </div>
91 <p><a·href="../../db/ddf/a00164_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/ddf/a00164_source.html">Go·to·the·source·code·of·this·file.</a></p>
92 <table·class="memberdecls">86 <table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
94 Classes</h2></td></tr>88 Classes</h2></td></tr>
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d32/a07490.html">BALL::VIEW::RegularData3DController</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dbf/a07494.html">BALL::VIEW::TrajectoryController</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9e/a05378.html">BALL::ForceFieldParameters</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dd7/a07498.html">BALL::VIEW::DockResultController</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d15/a07502.html">BALL::VIEW::VectorGridController</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07506.html">BALL::VIEW::RaytraceableGridController</a></td></tr> 
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
106 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
107 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
108 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
111 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
112 </table><table·class="memberdecls"> 
113 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
114 Typedefs</h2></td></tr> 
115 <tr·class="memitem:ad8d4e26e6bd93be849a35bfaa4506028"·id="r_ad8d4e26e6bd93be849a35bfaa4506028"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d2/dcf/a03586.html">TRegularData3D</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#ad8d4e26e6bd93be849a35bfaa4506028">BALL::VIEW::VectorGrid</a></td></tr> 
116 <tr·class="separator:ad8d4e26e6bd93be849a35bfaa4506028"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
117 </table>96 </table>
118 </div><!--·contents·-->97 </div><!--·contents·-->
119 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/df2/a04647.html">List·of·all·members</a>··</div>78 <a·href="../../d3/df2/a04647.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::SelectedPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SelectedPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::SelectedPredicate:</div>84 Inheritance·diagram·for·BALL::SelectedPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/de2/a04650.png"·usemap="#BALL::SelectedPredicate_map"·alt=""/>87 ··<img·src="../../db/de2/a04650.png"·usemap="#BALL::SelectedPredicate_map"·alt=""/>
88 ··<map·id="BALL::SelectedPredicate_map"·name="BALL::SelectedPredicate_map">88 ··<map·id="BALL::SelectedPredicate_map"·name="BALL::SelectedPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Selection·predicate.·This·predicate·is·<b>true</b>,·if·the·atom·is·selected,·<b>false</b>·otherwise.·</p>131 <div·class="textblock"><p>Selection·predicate.·This·predicate·is·<b>true</b>,·if·the·atom·is·selected,·<b>false</b>·otherwise.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="ac34ef5290b97387f7d4d28f63c4ee8a7"·name="ac34ef5290b97387f7d4d28f63c4ee8a7"></a>134 <a·id="ac34ef5290b97387f7d4d28f63c4ee8a7"·name="ac34ef5290b97387f7d4d28f63c4ee8a7"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34ef5290b97387f7d4d28f63c4ee8a7">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34ef5290b97387f7d4d28f63c4ee8a7">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d5d/a08363.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d5d/a08363.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ColorTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/d91/a00335_source.html">BALL/VIEW/WIDGETS/colorTable.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/VIEW/WIDGETS/colorTable.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ColorTable:</div>84 Inheritance·diagram·for·BALL::VIEW::ColorTable:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../db/de7/a08366.png"·usemap="#BALL::VIEW::ColorTable_map"·alt=""/>87 ··<img·src="../../db/de7/a08366.png"·usemap="#BALL::VIEW::ColorTable_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ColorTable_map"·name="BALL::VIEW::ColorTable_map">88 ··<map·id="BALL::VIEW::ColorTable_map"·name="BALL::VIEW::ColorTable_map">
89 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>89 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>
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119 <tr·class="separator:a87801bfbcec6fd6ac31a2267c8b5d084·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a87801bfbcec6fd6ac31a2267c8b5d084·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 <tr·class="memitem:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"·id="r_a5be921e3caaab4e19c0f2a9fbefc4e41"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a5be921e3caaab4e19c0f2a9fbefc4e41">~ExtendedPreferencesObject</a>·()</td></tr>120 <tr·class="memitem:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"·id="r_a5be921e3caaab4e19c0f2a9fbefc4e41"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a5be921e3caaab4e19c0f2a9fbefc4e41">~ExtendedPreferencesObject</a>·()</td></tr>
121 <tr·class="separator:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock"><p>Class·for·storing·colors·in·a·GUI·table·</p>124 <div·class="textblock"><p>Class·for·storing·colors·in·a·GUI·table·</p>
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d91/a00335_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d91/a00335_source.html">colorTable.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc8/a01124_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/dc8/a01124_source.html">colorTable.h</a>.</p>
126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
127 <a·id="a5dd6d972cc7af6481b695c4631462673"·name="a5dd6d972cc7af6481b695c4631462673"></a>127 <a·id="a5dd6d972cc7af6481b695c4631462673"·name="a5dd6d972cc7af6481b695c4631462673"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dd6d972cc7af6481b695c4631462673">&#9670;&#160;</a></span>ColorTable()</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a5dd6d972cc7af6481b695c4631462673">&#9670;&#160;</a></span>ColorTable()</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 ······<table·class="memname">131 ······<table·class="memname">
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173 ··</td>173 ··</td>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">MOL2File.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">transformationEvent6D.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
84 </div>84 </div>
85 <p><a·href="../../db/dec/a01337_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../db/dec/a01337_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d88/a03958.html">BALL::MOL2File::SetStruct</a></td></tr> 
92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">A·class·used·for·storing·TRIPOS·sets.··<a·href="../../de/d88/a03958.html#details">More...</a><br·/></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/db0/a03962.html">BALL::MOL2File::AtomStruct</a></td></tr> 
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101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dc1/a03978.html">BALL::MOL2File::CommentStruct</a></td></tr> 
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113 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../d9/db1/a03335.html">List·of·all·members</a>··</div>78 <a·href="../../d9/db1/a03335.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ConstUnaryProcessor&lt;·T·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ConstUnaryProcessor&lt;·T·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>118 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
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120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>122 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
123 class·BALL::ConstUnaryProcessor&lt;·T·&gt;</div><p>This·is·the·baseclass·for·UnaryProcessors·that·do·not·change·the·objects·they·are·applied·to.·If·your·processor·should·work·on·const·objects·this·is·the·right·class·to·derive·from.·</p>123 class·BALL::ConstUnaryProcessor&lt;·T·&gt;</div><p>This·is·the·baseclass·for·UnaryProcessors·that·do·not·change·the·objects·they·are·applied·to.·If·your·processor·should·work·on·const·objects·this·is·the·right·class·to·derive·from.·</p>
  
124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>125 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
126 <a·id="a7bfd84690c26381701b9a3929f49265c"·name="a7bfd84690c26381701b9a3929f49265c"></a>126 <a·id="a7bfd84690c26381701b9a3929f49265c"·name="a7bfd84690c26381701b9a3929f49265c"></a>
127 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bfd84690c26381701b9a3929f49265c">&#9670;&#160;</a></span>~ConstUnaryProcessor()</h2>127 <h2·class="memtitle"><span·class="permalink"><a·href="#a7bfd84690c26381701b9a3929f49265c">&#9670;&#160;</a></span>~ConstUnaryProcessor()</h2>
  
128 <div·class="memitem">128 <div·class="memitem">
129 <div·class="memproto">129 <div·class="memproto">
130 <div·class="memtemplate">130 <div·class="memtemplate">
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145 ··</td>145 ··</td>
146 ··<td·class="mlabels-right">146 ··<td·class="mlabels-right">
147 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>147 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
148 ··</tr>148 ··</tr>
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150 </div><div·class="memdoc">150 </div><div·class="memdoc">
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00124">124</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
152 </div>152 </div>
153 </div>153 </div>
154 <h2·class="groupheader">Member·Function·Documentation</h2>154 <h2·class="groupheader">Member·Function·Documentation</h2>
155 <a·id="a0e16d3d7fccfc51b952898b76f57f744"·name="a0e16d3d7fccfc51b952898b76f57f744"></a>155 <a·id="a0e16d3d7fccfc51b952898b76f57f744"·name="a0e16d3d7fccfc51b952898b76f57f744"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e16d3d7fccfc51b952898b76f57f744">&#9670;&#160;</a></span>finish()</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#a0e16d3d7fccfc51b952898b76f57f744">&#9670;&#160;</a></span>finish()</h2>
  
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179 </table>179 </table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#ac4f8076ebb4c15c35e36f0c56a272262">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a81a6e09db713ae534841b16ce0df0f83">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a812cb3ee7a4e94d31e567144d8cc9bc0">BALL::FragmentDistanceCollector</a>.</p>181 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#ac4f8076ebb4c15c35e36f0c56a272262">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a81a6e09db713ae534841b16ce0df0f83">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a812cb3ee7a4e94d31e567144d8cc9bc0">BALL::FragmentDistanceCollector</a>.</p>
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
185 <a·id="a7ae8716d8fcdb01fcccc794d9ae2c29a"·name="a7ae8716d8fcdb01fcccc794d9ae2c29a"></a>185 <a·id="a7ae8716d8fcdb01fcccc794d9ae2c29a"·name="a7ae8716d8fcdb01fcccc794d9ae2c29a"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ae8716d8fcdb01fcccc794d9ae2c29a">&#9670;&#160;</a></span>operator()()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a7ae8716d8fcdb01fcccc794d9ae2c29a">&#9670;&#160;</a></span>operator()()</h2>
  
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209 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>209 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
210 ··</tr>210 ··</tr>
211 </table>211 </table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
  
213 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#adf0f27f73bfde29876c3303ddb57a2f5">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#ac1d7c724e6876ba40b08ef5c1b8dafbd">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a160eb1f59aac94f8a8e9f89fdb8ca9f1">BALL::FragmentDistanceCollector</a>.</p>213 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#adf0f27f73bfde29876c3303ddb57a2f5">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#ac1d7c724e6876ba40b08ef5c1b8dafbd">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a160eb1f59aac94f8a8e9f89fdb8ca9f1">BALL::FragmentDistanceCollector</a>.</p>
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
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218 <h2·class="memtitle"><span·class="permalink"><a·href="#afb19b9aadd4244d698f58b1d5aa1a51f">&#9670;&#160;</a></span>start()</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#afb19b9aadd4244d698f58b1d5aa1a51f">&#9670;&#160;</a></span>start()</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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240 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>240 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
241 ··</tr>241 ··</tr>
242 </table>242 </table>
243 </div><div·class="memdoc">243 </div><div·class="memdoc">
  
244 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#aca1051ea33cc22a9bf8a80a7502124dd">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a5b2f9e902e60dac21751520f5f08da42">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a0a59795e5c0746104764dd747ae543db">BALL::FragmentDistanceCollector</a>.</p>244 <p>Reimplemented·in·<a·class="el"·href="../../d4/d71/a06882.html#aca1051ea33cc22a9bf8a80a7502124dd">BALL::BoundingBoxProcessor</a>,·<a·class="el"·href="../../d6/d3f/a06886.html#a5b2f9e902e60dac21751520f5f08da42">BALL::GeometricCenterProcessor</a>,·and·<a·class="el"·href="../../de/d9b/a06890.html#a0a59795e5c0746104764dd747ae543db">BALL::FragmentDistanceCollector</a>.</p>
  
245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>245 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
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251 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8251 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../dc/dcc/a08179.html">List·of·all·members</a>··</div>79 <a·href="../../dc/dcc/a08179.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MultiLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/da3/a00593_source.html">BALL/VIEW/PRIMITIVES/multiLine.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d35/a01400_source.html">BALL/VIEW/PRIMITIVES/multiLine.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::MultiLine:</div>85 Inheritance·diagram·for·BALL::VIEW::MultiLine:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../db/df3/a08182.png"·usemap="#BALL::VIEW::MultiLine_map"·alt=""/>88 ··<img·src="../../db/df3/a08182.png"·usemap="#BALL::VIEW::MultiLine_map"·alt=""/>
89 ··<map·id="BALL::VIEW::MultiLine_map"·name="BALL::VIEW::MultiLine_map">89 ··<map·id="BALL::VIEW::MultiLine_map"·name="BALL::VIEW::MultiLine_map">
90 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>90 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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183 <tr·class="inherit_header·pub_attribs_a07450"><td·colspan="2"·onclick="javascript:toggleInherit('pub_attribs_a07450')"><img·src="../../closed.png"·alt="-"/>&#160;Public·Attributes·inherited·from·<a·class="el"·href="../../db/d60/a07450.html">BALL::VIEW::MultiColorExtension</a></td></tr>183 <tr·class="inherit_header·pub_attribs_a07450"><td·colspan="2"·onclick="javascript:toggleInherit('pub_attribs_a07450')"><img·src="../../closed.png"·alt="-"/>&#160;Public·Attributes·inherited·from·<a·class="el"·href="../../db/d60/a07450.html">BALL::VIEW::MultiColorExtension</a></td></tr>
184 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"·id="r_ab0eb1042ec225a9d403977ba0704c306"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>184 <tr·class="memitem:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"·id="r_ab0eb1042ec225a9d403977ba0704c306"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../d4/d36/a07462.html">ColorRGBA</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d60/a07450.html#ab0eb1042ec225a9d403977ba0704c306">colors</a></td></tr>
185 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p>A·line·with·multiple·vertices·and·colors.·</p>188 <div·class="textblock"><p>A·line·with·multiple·vertices·and·colors.·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">multiLine.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">multiLine.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="ace2dbd6064b69353f8a92ab4493be14e"·name="ace2dbd6064b69353f8a92ab4493be14e"></a>191 <a·id="ace2dbd6064b69353f8a92ab4493be14e"·name="ace2dbd6064b69353f8a92ab4493be14e"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#ace2dbd6064b69353f8a92ab4493be14e">&#9670;&#160;</a></span>MultiLine()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#ace2dbd6064b69353f8a92ab4493be14e">&#9670;&#160;</a></span>MultiLine()·<span·class="overload">[1/2]</span></h2>
  
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439 ········</tr>439 ········</tr>
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442 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/da3/a00593_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d2/da3/a00593_source.html">multiLine.h</a>.</p>442 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d35/a01400_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../dc/d35/a01400_source.html">multiLine.h</a>.</p>
  
443 </div>443 </div>
444 </div>444 </div>
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446 <h2·class="memtitle"><span·class="permalink"><a·href="#ae054e816f73c52356bceeee73e55fae8">&#9670;&#160;</a></span>vertices</h2>446 <h2·class="memtitle"><span·class="permalink"><a·href="#ae054e816f73c52356bceeee73e55fae8">&#9670;&#160;</a></span>vertices</h2>
  
447 <div·class="memitem">447 <div·class="memitem">
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455 ········</tr>455 ········</tr>
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73 <a·href="#func-members">Functions</a>··</div>73 <a·href="#func-members">Functions</a>··</div>
74 ··<div·class="headertitle"><div·class="title">Electrostatic·energy<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a></div></div></div>74 ··<div·class="headertitle"><div·class="title">Electrostatic·energy<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a></div></div></div>
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79 Functions</h2></td></tr>79 Functions</h2></td></tr>
80 <tr·class="memitem:ga982bf11586cc66ca76d1d1a5189ffd83"·id="r_ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga982bf11586cc66ca76d1d1a5189ffd83">BALL::calculateCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;<a·class="el"·href="../../d2/d08/a02148.html#ga66b7bde1348f03824bb0af435d93b9a0">atoms</a>)</td></tr>80 <tr·class="memitem:ga982bf11586cc66ca76d1d1a5189ffd83"·id="r_ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga982bf11586cc66ca76d1d1a5189ffd83">BALL::calculateCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;<a·class="el"·href="../../d2/d08/a02148.html#ga66b7bde1348f03824bb0af435d93b9a0">atoms</a>)</td></tr>
81 <tr·class="separator:ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>81 <tr·class="separator:ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
82 <tr·class="memitem:ga2f1a688a3e5e99f7ea436ee5c13204e5"·id="r_ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga2f1a688a3e5e99f7ea436ee5c13204e5">BALL::calculateDistanceCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;fragment)</td></tr>82 <tr·class="memitem:ga2f1a688a3e5e99f7ea436ee5c13204e5"·id="r_ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga2f1a688a3e5e99f7ea436ee5c13204e5">BALL::calculateDistanceCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;fragment)</td></tr>
83 <tr·class="separator:ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>83 <tr·class="separator:ga2f1a688a3e5e99f7ea436ee5c13204e5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
84 </table>84 </table>
85 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>85 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
86 <h2·class="groupheader">Function·Documentation</h2>86 <h2·class="groupheader">Function·Documentation</h2>
87 <a·id="ga982bf11586cc66ca76d1d1a5189ffd83"·name="ga982bf11586cc66ca76d1d1a5189ffd83"></a>87 <a·id="ga982bf11586cc66ca76d1d1a5189ffd83"·name="ga982bf11586cc66ca76d1d1a5189ffd83"></a>
88 <h2·class="memtitle"><span·class="permalink"><a·href="#ga982bf11586cc66ca76d1d1a5189ffd83">&#9670;&#160;</a></span>calculateCoulomb()</h2>88 <h2·class="memtitle"><span·class="permalink"><a·href="#ga982bf11586cc66ca76d1d1a5189ffd83">&#9670;&#160;</a></span>calculateCoulomb()</h2>
  
89 <div·class="memitem">89 <div·class="memitem">
90 <div·class="memproto">90 <div·class="memproto">
91 ······<table·class="memname">91 ······<table·class="memname">
92 ········<tr>92 ········<tr>
93 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateCoulomb·</td>93 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateCoulomb·</td>
94 ··········<td>(</td>94 ··········<td>(</td>
95 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>95 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>
96 ··········<td·class="paramname"><em>atoms</em></td><td>)</td>96 ··········<td·class="paramname"><em>atoms</em></td><td>)</td>
97 ··········<td></td>97 ··········<td></td>
98 ········</tr>98 ········</tr>
99 ······</table>99 ······</table>
100 </div><div·class="memdoc">100 </div><div·class="memdoc">
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108 <a·id="ga2f1a688a3e5e99f7ea436ee5c13204e5"·name="ga2f1a688a3e5e99f7ea436ee5c13204e5"></a>108 <a·id="ga2f1a688a3e5e99f7ea436ee5c13204e5"·name="ga2f1a688a3e5e99f7ea436ee5c13204e5"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ga2f1a688a3e5e99f7ea436ee5c13204e5">&#9670;&#160;</a></span>calculateDistanceCoulomb()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ga2f1a688a3e5e99f7ea436ee5c13204e5">&#9670;&#160;</a></span>calculateDistanceCoulomb()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
113 ········<tr>113 ········<tr>
114 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateDistanceCoulomb·</td>114 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::calculateDistanceCoulomb·</td>
115 ··········<td>(</td>115 ··········<td>(</td>
116 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>116 ··········<td·class="paramtype">const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;&#160;</td>
117 ··········<td·class="paramname"><em>fragment</em></td><td>)</td>117 ··········<td·class="paramname"><em>fragment</em></td><td>)</td>
118 ··········<td></td>118 ··········<td></td>
119 ········</tr>119 ········</tr>
120 ······</table>120 ······</table>
121 </div><div·class="memdoc">121 </div><div·class="memdoc">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/d7a/a03115.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d7a/a03115.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::DivisionByZero·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::DivisionByZero·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::DivisionByZero:</div>84 Inheritance·diagram·for·BALL::Exception::DivisionByZero:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/d00/a03118.png"·usemap="#BALL::Exception::DivisionByZero_map"·alt=""/>87 ··<img·src="../../dc/d00/a03118.png"·usemap="#BALL::Exception::DivisionByZero_map"·alt=""/>
88 ··<map·id="BALL::Exception::DivisionByZero_map"·name="BALL::Exception::DivisionByZero_map">88 ··<map·id="BALL::Exception::DivisionByZero_map"·name="BALL::Exception::DivisionByZero_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../df/dcf/a04842.html">Division</a>·by·zero·error.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../df/dcf/a04842.html">Division</a>·by·zero·error.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="abf21ce278e4e8e756d752f8a4faf1e09"·name="abf21ce278e4e8e756d752f8a4faf1e09"></a>146 <a·id="abf21ce278e4e8e756d752f8a4faf1e09"·name="abf21ce278e4e8e756d752f8a4faf1e09"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#abf21ce278e4e8e756d752f8a4faf1e09">&#9670;&#160;</a></span>DivisionByZero()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#abf21ce278e4e8e756d752f8a4faf1e09">&#9670;&#160;</a></span>DivisionByZero()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/df9/a05815.html">List·of·all·members</a>··</div>77 <a·href="../../d2/df9/a05815.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PCRModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::PCRModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/de5/a00956_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::PCRModel:</div>83 Inheritance·diagram·for·BALL::QSAR::PCRModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/d03/a05818.png"·usemap="#BALL::QSAR::PCRModel_map"·alt=""/>86 ··<img·src="../../dc/d03/a05818.png"·usemap="#BALL::QSAR::PCRModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::PCRModel_map"·name="BALL::QSAR::PCRModel_map">87 ··<map·id="BALL::QSAR::PCRModel_map"·name="BALL::QSAR::PCRModel_map">
88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>88 <area·href="../../d7/db7/a05762.html"·alt="BALL::QSAR::LinearModel"·shape="rect"·coords="0,112,207,136"/>
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270 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>270 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
271 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>271 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
272 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>272 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
273 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>273 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
274 </table>274 </table>
275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>275 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
276 <div·class="textblock">276 <div·class="textblock">
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">pcrModel.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d00/a00401_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d7/d00/a00401_source.html">pcrModel.h</a>.</p>
278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>278 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
279 <a·id="a210158bd6aba892c819376c1d7133ba1"·name="a210158bd6aba892c819376c1d7133ba1"></a>279 <a·id="a210158bd6aba892c819376c1d7133ba1"·name="a210158bd6aba892c819376c1d7133ba1"></a>
280 <h2·class="memtitle"><span·class="permalink"><a·href="#a210158bd6aba892c819376c1d7133ba1">&#9670;&#160;</a></span>PCRModel()</h2>280 <h2·class="memtitle"><span·class="permalink"><a·href="#a210158bd6aba892c819376c1d7133ba1">&#9670;&#160;</a></span>PCRModel()</h2>
  
281 <div·class="memitem">281 <div·class="memitem">
282 <div·class="memproto">282 <div·class="memproto">
283 ······<table·class="memname">283 ······<table·class="memname">
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498 ··<td·class="mlabels-right">498 ··<td·class="mlabels-right">
499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>499 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
500 ··</tr>500 ··</tr>
501 </table>501 </table>
502 </div><div·class="memdoc">502 </div><div·class="memdoc">
503 <p>fraction·of·the·variance·that·is·to·be·explained·</p>503 <p>fraction·of·the·variance·that·is·to·be·explained·</p>
  
504 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/de5/a00956_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d3/de5/a00956_source.html">pcrModel.h</a>.</p>504 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d00/a00401_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d7/d00/a00401_source.html">pcrModel.h</a>.</p>
  
505 </div>505 </div>
506 </div>506 </div>
507 </div><!--·contents·-->507 </div><!--·contents·-->
508 <!--·start·footer·part·-->508 <!--·start·footer·part·-->
509 <hr·class="footer"/><address·class="footer"><small>509 <hr·class="footer"/><address·class="footer"><small>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">buildBondsProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">RDFSection.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d3/d95/a00779_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
87 </div>84 </div>
88 <p><a·href="../../dc/d06/a01832_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/d06/a01832_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>88 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dec/a06822.html">BALL::BuildBondsProcessor</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d33/a07038.html">BALL::RDFSection</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html">BALL::BuildBondsProcessor::Option</a></td></tr> 
95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··<a·href="../../d6/df9/a06826.html#details">More...</a><br·/></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html">BALL::BuildBondsProcessor::Default</a></td></tr> 
98 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../dc/d31/a06830.html#details">More...</a><br·/></td></tr> 
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102 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d9/da0/a08463.html">List·of·all·members</a>··</div>79 <a·href="../../d9/da0/a08463.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIntEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::UIntEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::UIntEditorWidget:</div>85 Inheritance·diagram·for·BALL::VIEW::UIntEditorWidget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dc/d06/a08466.png"·usemap="#BALL::VIEW::UIntEditorWidget_map"·alt=""/>88 ··<img·src="../../dc/d06/a08466.png"·usemap="#BALL::VIEW::UIntEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::UIntEditorWidget_map"·name="BALL::VIEW::UIntEditorWidget_map">89 ··<map·id="BALL::VIEW::UIntEditorWidget_map"·name="BALL::VIEW::UIntEditorWidget_map">
90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>
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140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00156">156</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="acf9726e2e48fc451e0f0f7b83eb11f7b"·name="acf9726e2e48fc451e0f0f7b83eb11f7b"></a>147 <a·id="acf9726e2e48fc451e0f0f7b83eb11f7b"·name="acf9726e2e48fc451e0f0f7b83eb11f7b"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#acf9726e2e48fc451e0f0f7b83eb11f7b">&#9670;&#160;</a></span>UIntEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#acf9726e2e48fc451e0f0f7b83eb11f7b">&#9670;&#160;</a></span>UIntEditorWidget()</h2>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SnapShotManager::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>Local·class·for·handling·default·values·for·the·options.··82 <p>Local·class·for·handling·default·values·for·the·options.··
83 ·<a·href="../../dc/d0c/a05122.html#details">More...</a></p>83 ·<a·href="../../dc/d0c/a05122.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/dc1/a00092_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a37aabee75fa086add861aa13ba5fe324"·id="r_a37aabee75fa086add861aa13ba5fe324"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d0c/a05122.html#a37aabee75fa086add861aa13ba5fe324">FLUSH_TO_DISK_FREQUENCY</a></td></tr>88 <tr·class="memitem:a37aabee75fa086add861aa13ba5fe324"·id="r_a37aabee75fa086add861aa13ba5fe324"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d0c/a05122.html#a37aabee75fa086add861aa13ba5fe324">FLUSH_TO_DISK_FREQUENCY</a></td></tr>
89 <tr·class="separator:a37aabee75fa086add861aa13ba5fe324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a37aabee75fa086add861aa13ba5fe324"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p>Local·class·for·handling·default·values·for·the·options.·</p>92 <div·class="textblock"><p>Local·class·for·handling·default·values·for·the·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">snapShotManager.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a37aabee75fa086add861aa13ba5fe324"·name="a37aabee75fa086add861aa13ba5fe324"></a>95 <a·id="a37aabee75fa086add861aa13ba5fe324"·name="a37aabee75fa086add861aa13ba5fe324"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a37aabee75fa086add861aa13ba5fe324">&#9670;&#160;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a37aabee75fa086add861aa13ba5fe324">&#9670;&#160;</a></span>FLUSH_TO_DISK_FREQUENCY</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>This·is·the·default·value·of·the·number·of·snapshots·to·be·taken·before·writing·them·to·hard·disk.·<a·class="el"·href="../../dc/d0c/a05122.html"·title="Local·class·for·handling·default·values·for·the·options.">Default</a>·is·...·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">Option::FLUSH_TO_DISK_FREQUENCY</a>·</dd></dl>117 <p>This·is·the·default·value·of·the·number·of·snapshots·to·be·taken·before·writing·them·to·hard·disk.·<a·class="el"·href="../../dc/d0c/a05122.html"·title="Local·class·for·handling·default·values·for·the·options.">Default</a>·is·...·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d5/d87/a05118.html#a96b23672adeb796c72d0a79e45e1a388">Option::FLUSH_TO_DISK_FREQUENCY</a>·</dd></dl>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da1/a01613_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d3/da1/a01613_source.html">snapShotManager.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dc1/a00092_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d1/dc1/a00092_source.html">snapShotManager.h</a>.</p>
  
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120 </div>120 </div>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d0/db0/a03631.html">List·of·all·members</a>··</div>79 <a·href="../../d0/db0/a03631.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Constraint·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Constraint·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Constraint:</div>85 Inheritance·diagram·for·BALL::Constraint:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dc/d12/a03634.png"·usemap="#BALL::Constraint_map"·alt=""/>88 ··<img·src="../../dc/d12/a03634.png"·usemap="#BALL::Constraint_map"·alt=""/>
89 ··<map·id="BALL::Constraint_map"·name="BALL::Constraint_map">89 ··<map·id="BALL::Constraint_map"·name="BALL::Constraint_map">
90 <area·href="../../dc/dd9/a03642.html"·alt="BALL::PharmacophoreConstraint"·shape="rect"·coords="0,56,196,80"/>90 <area·href="../../dc/dd9/a03642.html"·alt="BALL::PharmacophoreConstraint"·shape="rect"·coords="0,56,196,80"/>
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119 <tr·class="memitem:ae7afdcb7c4c88cb6aca92d23d90f269d"·id="r_ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#ae7afdcb7c4c88cb6aca92d23d90f269d">penalty_</a></td></tr>119 <tr·class="memitem:ae7afdcb7c4c88cb6aca92d23d90f269d"·id="r_ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#ae7afdcb7c4c88cb6aca92d23d90f269d">penalty_</a></td></tr>
120 <tr·class="separator:ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:ae7afdcb7c4c88cb6aca92d23d90f269d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418"·id="r_adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>121 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418"·id="r_adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>
122 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock">125 <div·class="textblock">
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="a62b4b590e34cc02fe069e7e1f3ecc6e4"·name="a62b4b590e34cc02fe069e7e1f3ecc6e4"></a>128 <a·id="a62b4b590e34cc02fe069e7e1f3ecc6e4"·name="a62b4b590e34cc02fe069e7e1f3ecc6e4"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a62b4b590e34cc02fe069e7e1f3ecc6e4">&#9670;&#160;</a></span>Constraint()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a62b4b590e34cc02fe069e7e1f3ecc6e4">&#9670;&#160;</a></span>Constraint()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
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304 ··</td>304 ··</td>
305 ··<td·class="mlabels-right">305 ··<td·class="mlabels-right">
306 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>306 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
307 ··</tr>307 ··</tr>
308 </table>308 </table>
309 </div><div·class="memdoc">309 </div><div·class="memdoc">
  
310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>310 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
311 </div>311 </div>
312 </div>312 </div>
313 <a·id="ae7afdcb7c4c88cb6aca92d23d90f269d"·name="ae7afdcb7c4c88cb6aca92d23d90f269d"></a>313 <a·id="ae7afdcb7c4c88cb6aca92d23d90f269d"·name="ae7afdcb7c4c88cb6aca92d23d90f269d"></a>
314 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7afdcb7c4c88cb6aca92d23d90f269d">&#9670;&#160;</a></span>penalty_</h2>314 <h2·class="memtitle"><span·class="permalink"><a·href="#ae7afdcb7c4c88cb6aca92d23d90f269d">&#9670;&#160;</a></span>penalty_</h2>
  
315 <div·class="memitem">315 <div·class="memitem">
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329 ··<td·class="mlabels-right">329 ··<td·class="mlabels-right">
330 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>330 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
331 ··</tr>331 ··</tr>
332 </table>332 </table>
333 </div><div·class="memdoc">333 </div><div·class="memdoc">
334 <p>penalty·value·that·is·to·be·added·to·the·calculated·energy·if·the·desired·constraints·are·not·fullfilled.·</p>334 <p>penalty·value·that·is·to·be·added·to·the·calculated·energy·if·the·desired·constraints·are·not·fullfilled.·</p>
  
335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>335 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
336 </div>336 </div>
337 </div>337 </div>
338 <a·id="adc9a19236e19ed9c3c994d51f3176418"·name="adc9a19236e19ed9c3c994d51f3176418"></a>338 <a·id="adc9a19236e19ed9c3c994d51f3176418"·name="adc9a19236e19ed9c3c994d51f3176418"></a>
339 <h2·class="memtitle"><span·class="permalink"><a·href="#adc9a19236e19ed9c3c994d51f3176418">&#9670;&#160;</a></span>scoring_function_</h2>339 <h2·class="memtitle"><span·class="permalink"><a·href="#adc9a19236e19ed9c3c994d51f3176418">&#9670;&#160;</a></span>scoring_function_</h2>
  
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353 ··</td>353 ··</td>
354 ··<td·class="mlabels-right">354 ··<td·class="mlabels-right">
355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>355 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
356 ··</tr>356 ··</tr>
357 </table>357 </table>
358 </div><div·class="memdoc">358 </div><div·class="memdoc">
  
359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>359 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
360 </div>360 </div>
361 </div>361 </div>
362 <a·id="a23fd3a19a006518808a1a7ca8ea6dd9c"·name="a23fd3a19a006518808a1a7ca8ea6dd9c"></a>362 <a·id="a23fd3a19a006518808a1a7ca8ea6dd9c"·name="a23fd3a19a006518808a1a7ca8ea6dd9c"></a>
363 <h2·class="memtitle"><span·class="permalink"><a·href="#a23fd3a19a006518808a1a7ca8ea6dd9c">&#9670;&#160;</a></span>type_</h2>363 <h2·class="memtitle"><span·class="permalink"><a·href="#a23fd3a19a006518808a1a7ca8ea6dd9c">&#9670;&#160;</a></span>type_</h2>
  
364 <div·class="memitem">364 <div·class="memitem">
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378 ··<td·class="mlabels-right">378 ··<td·class="mlabels-right">
379 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>379 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
380 ··</tr>380 ··</tr>
381 </table>381 </table>
382 </div><div·class="memdoc">382 </div><div·class="memdoc">
383 <p>Stores·the·type·-·'<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>'·or·'<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>'·-·of·this·<a·class="el"·href="../../dc/d12/a03634.html">Constraint</a>·for·text·output·purposes.·</p>383 <p>Stores·the·type·-·'<a·class="el"·href="../../df/df2/a03638.html">ReferenceArea</a>'·or·'<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>'·-·of·this·<a·class="el"·href="../../dc/d12/a03634.html">Constraint</a>·for·text·output·purposes.·</p>
  
384 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>384 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
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386 </div>386 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">nucleotideIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">bidirectionalIterator.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/CONCEPT/forwardIterator.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../dc/d1b/a00827_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/d1b/a00827_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d2f/a03222.html">BALL::ConstBidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d5b/a04562.html">BALL::NucleotideIteratorTraits</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d6e/a03226.html">BALL::BidirectionalIterator&lt;·Container,·DataType,·Position,·Traits·&gt;</a></td></tr>
 90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Mutable·bidirectional·iterator.··<a·href="../../dd/d6e/a03226.html#details">More...</a><br·/></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
99 Typedefs</h2></td></tr> 
100 <tr·class="memitem:a499394aeb00a8bd140722cd9d9e361e3"·id="r_a499394aeb00a8bd140722cd9d9e361e3"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/d6e/a03226.html">BidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../de/d33/a04558.html">Nucleotide</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a499394aeb00a8bd140722cd9d9e361e3">BALL::NucleotideIterator</a></td></tr> 
101 <tr·class="separator:a499394aeb00a8bd140722cd9d9e361e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:a10e9fd1b8699a486d37759da120d1f28"·id="r_a10e9fd1b8699a486d37759da120d1f28"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d5/d2f/a03222.html">ConstBidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../de/d33/a04558.html">Nucleotide</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a10e9fd1b8699a486d37759da120d1f28">BALL::NucleotideConstIterator</a></td></tr> 
103 <tr·class="separator:a10e9fd1b8699a486d37759da120d1f28"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:ac9e2e6e8d833f39eb4ae6b5262287a2d"·id="r_ac9e2e6e8d833f39eb4ae6b5262287a2d"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#a499394aeb00a8bd140722cd9d9e361e3">NucleotideIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ac9e2e6e8d833f39eb4ae6b5262287a2d">BALL::NucleotideReverseIterator</a></td></tr> 
105 <tr·class="separator:ac9e2e6e8d833f39eb4ae6b5262287a2d"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:a99e7764dd09790f3fbd8081782371fba"·id="r_a99e7764dd09790f3fbd8081782371fba"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#a10e9fd1b8699a486d37759da120d1f28">NucleotideConstIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a99e7764dd09790f3fbd8081782371fba">BALL::NucleotideConstReverseIterator</a></td></tr> 
107 <tr·class="separator:a99e7764dd09790f3fbd8081782371fba"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 </table>97 </table>
109 </div><!--·contents·-->98 </div><!--·contents·-->
110 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
111 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
113 </small></address>102 </small></address>
114 </body>103 </body>
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78 <a·href="#pub-slots">Public·Slots</a>·&#124;78 <a·href="#pub-slots">Public·Slots</a>·&#124;
79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
80 <a·href="../../d3/da9/a08411.html">List·of·all·members</a>··</div>80 <a·href="../../d3/da9/a08411.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HotkeyTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::HotkeyTable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d1/d5d/a00311_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7c/a01073_source.html">BALL/VIEW/WIDGETS/hotkeyTable.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::HotkeyTable:</div>86 Inheritance·diagram·for·BALL::VIEW::HotkeyTable:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../dc/d1b/a08414.png"·usemap="#BALL::VIEW::HotkeyTable_map"·alt=""/>89 ··<img·src="../../dc/d1b/a08414.png"·usemap="#BALL::VIEW::HotkeyTable_map"·alt=""/>
90 ··<map·id="BALL::VIEW::HotkeyTable_map"·name="BALL::VIEW::HotkeyTable_map">90 ··<map·id="BALL::VIEW::HotkeyTable_map"·name="BALL::VIEW::HotkeyTable_map">
91 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>91 <area·href="../../d2/d24/a20074.html"·alt="QTableWidget"·shape="rect"·coords="0,0,351,24"/>
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129 <tr·class="separator:a87801bfbcec6fd6ac31a2267c8b5d084·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>129 <tr·class="separator:a87801bfbcec6fd6ac31a2267c8b5d084·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
130 <tr·class="memitem:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"·id="r_a5be921e3caaab4e19c0f2a9fbefc4e41"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a5be921e3caaab4e19c0f2a9fbefc4e41">~ExtendedPreferencesObject</a>·()</td></tr>130 <tr·class="memitem:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"·id="r_a5be921e3caaab4e19c0f2a9fbefc4e41"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html#a5be921e3caaab4e19c0f2a9fbefc4e41">~ExtendedPreferencesObject</a>·()</td></tr>
131 <tr·class="separator:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>131 <tr·class="separator:a5be921e3caaab4e19c0f2a9fbefc4e41·inherit·pub_methods_a07930"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
132 </table>132 </table>
133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>133 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
134 <div·class="textblock"><p>Class·for·storing·Python·hotkeys·in·a·GUI·table·</p>134 <div·class="textblock"><p>Class·for·storing·Python·hotkeys·in·a·GUI·table·</p>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">hotkeyTable.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
136 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>136 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
137 <a·id="a9e1639ace6a9246fa02ba879425a8f06"·name="a9e1639ace6a9246fa02ba879425a8f06"></a>137 <a·id="a9e1639ace6a9246fa02ba879425a8f06"·name="a9e1639ace6a9246fa02ba879425a8f06"></a>
138 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e1639ace6a9246fa02ba879425a8f06">&#9670;&#160;</a></span>Modifier</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e1639ace6a9246fa02ba879425a8f06">&#9670;&#160;</a></span>Modifier</h2>
  
139 <div·class="memitem">139 <div·class="memitem">
140 <div·class="memproto">140 <div·class="memproto">
141 ······<table·class="memname">141 ······<table·class="memname">
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147 ······</table>147 ······</table>
148 </div><div·class="memdoc">148 </div><div·class="memdoc">
149 <table·class="fieldtable">149 <table·class="fieldtable">
150 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"·name="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"></a>NONE&#160;</td><td·class="fielddoc"></td></tr>150 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"·name="a9e1639ace6a9246fa02ba879425a8f06aefb47f30390bff5688e6e6aaddd5bc50"></a>NONE&#160;</td><td·class="fielddoc"></td></tr>
151 <tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"·name="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"></a>SHIFT&#160;</td><td·class="fielddoc"></td></tr>151 <tr><td·class="fieldname"><a·id="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"·name="a9e1639ace6a9246fa02ba879425a8f06a5b3eb5cc4f16de9c91c334ae041488ee"></a>SHIFT&#160;</td><td·class="fielddoc"></td></tr>
152 </table>152 </table>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d5d/a00311_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d1/d5d/a00311_source.html">hotkeyTable.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7c/a01073_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/d7c/a01073_source.html">hotkeyTable.h</a>.</p>
  
154 </div>154 </div>
155 </div>155 </div>
156 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>156 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
157 <a·id="a46fd5dca5c7999897773af6cdf822f24"·name="a46fd5dca5c7999897773af6cdf822f24"></a>157 <a·id="a46fd5dca5c7999897773af6cdf822f24"·name="a46fd5dca5c7999897773af6cdf822f24"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#a46fd5dca5c7999897773af6cdf822f24">&#9670;&#160;</a></span>HotkeyTable()</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#a46fd5dca5c7999897773af6cdf822f24">&#9670;&#160;</a></span>HotkeyTable()</h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d17/a06123.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d17/a06123.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::DifferentiableScoringFunction·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::DifferentiableScoringFunction·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a02072_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d59/a01973_source.html">BALL/SCORING/COMMON/diffScoringFunction.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::DifferentiableScoringFunction:</div>84 Inheritance·diagram·for·BALL::DifferentiableScoringFunction:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/d1e/a06126.png"·usemap="#BALL::DifferentiableScoringFunction_map"·alt=""/>87 ··<img·src="../../dc/d1e/a06126.png"·usemap="#BALL::DifferentiableScoringFunction_map"·alt=""/>
88 ··<map·id="BALL::DifferentiableScoringFunction_map"·name="BALL::DifferentiableScoringFunction_map">88 ··<map·id="BALL::DifferentiableScoringFunction_map"·name="BALL::DifferentiableScoringFunction_map">
89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,218,24"/>89 <area·href="../../d0/d64/a06166.html"·alt="BALL::ScoringFunction"·shape="rect"·coords="0,0,218,24"/>
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393 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>393 <tr·class="memitem:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"·id="r_a6884ad80f5b4a53ac9075b09e080488c"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a6884ad80f5b4a53ac9075b09e080488c">rotatable_ligand_bonds_</a>·{}</td></tr>
394 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>394 <tr·class="separator:a6884ad80f5b4a53ac9075b09e080488c·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
395 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>395 <tr·class="memitem:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"·id="r_a1b984092e5214e6adbd1cdf8b6b62976"><td·class="memItemLeft"·align="right"·valign="top">list&lt;·list&lt;·<a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d64/a06166.html#a1b984092e5214e6adbd1cdf8b6b62976">flexres_org_positions_</a>·{}</td></tr>
396 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>396 <tr·class="separator:a1b984092e5214e6adbd1cdf8b6b62976·inherit·pro_attribs_a06166"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
397 </table>397 </table>
398 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>398 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
399 <div·class="textblock">399 <div·class="textblock">
400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a02072_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../de/d9d/a02072_source.html">diffScoringFunction.h</a>.</p>400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d59/a01973_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d3/d59/a01973_source.html">diffScoringFunction.h</a>.</p>
401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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78 ··<div·class="headertitle"><div·class="title">libsvmModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">bruker1DFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d39/a00950_source.html">BALL/QSAR/svrModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>
82 <code>#include·&lt;fstream&gt;</code><br·/> 
83 <code>#include·&lt;svm.h&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../dc/d2c/a00893_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/d2c/a00893_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#namespaces">Namespaces</a>·&#124;
 77 <a·href="#func-members">Functions</a>··</div>
78 ··<div·class="headertitle"><div·class="title">RSVertex.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">atomicContactEnergy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/graphVertex.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../dc/d31/a01892_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/d31/a01892_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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96 Functions</h2></td></tr>91 Functions</h2></td></tr>
 92 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·id="r_ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr>
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97 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
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99 <tr·class="separator:ga7f5ef705f805eba2df93fb129137793e"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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102 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
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79 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BuildBondsProcessor::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../dc/d31/a06830.html#details">More...</a></p>83 ·<a·href="../../dc/d31/a06830.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d06/a01832_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/STRUCTURE/buildBondsProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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89 <tr·class="memdesc:a04454312458792ff9553482344c1c806"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·bond·lengths··<br·/></td></tr>89 <tr·class="memdesc:a04454312458792ff9553482344c1c806"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">default·file·name·for·the·bond·lengths··<br·/></td></tr>
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91 <tr·class="memitem:ae3e7f12e6f83cd0bcc2f6f897ddd4feb"·id="r_ae3e7f12e6f83cd0bcc2f6f897ddd4feb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">DELETE_EXISTING_BONDS</a></td></tr>91 <tr·class="memitem:ae3e7f12e6f83cd0bcc2f6f897ddd4feb"·id="r_ae3e7f12e6f83cd0bcc2f6f897ddd4feb"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">DELETE_EXISTING_BONDS</a></td></tr>
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99 <tr·class="memitem:abdff8d9ee157a1c5b669961e7235d0c3"·id="r_abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">DELETE_OVERESTIMATED_BONDS</a></td></tr>99 <tr·class="memitem:abdff8d9ee157a1c5b669961e7235d0c3"·id="r_abdff8d9ee157a1c5b669961e7235d0c3"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html#abdff8d9ee157a1c5b669961e7235d0c3">DELETE_OVERESTIMATED_BONDS</a></td></tr>
100 <tr·class="memdesc:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">this·option·is·off·by·default··<br·/></td></tr>100 <tr·class="memdesc:abdff8d9ee157a1c5b669961e7235d0c3"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">this·option·is·off·by·default··<br·/></td></tr>
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102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>104 <div·class="textblock"><p><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
106 </div><h2·class="groupheader">Member·Data·Documentation</h2>106 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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108 <h2·class="memtitle"><span·class="permalink"><a·href="#a04454312458792ff9553482344c1c806">&#9670;&#160;</a></span>BONDLENGTHS_FILENAME</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#a04454312458792ff9553482344c1c806">&#9670;&#160;</a></span>BONDLENGTHS_FILENAME</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
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111 <table·class="mlabels">111 <table·class="mlabels">
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123 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>123 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
124 ··</tr>124 ··</tr>
125 </table>125 </table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p>default·file·name·for·the·bond·lengths·</p>127 <p>default·file·name·for·the·bond·lengths·</p>
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
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132 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">&#9670;&#160;</a></span>DELETE_EXISTING_BONDS</h2>132 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3e7f12e6f83cd0bcc2f6f897ddd4feb">&#9670;&#160;</a></span>DELETE_EXISTING_BONDS</h2>
  
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149 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>149 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
150 ··</tr>150 ··</tr>
151 </table>151 </table>
152 </div><div·class="memdoc">152 </div><div·class="memdoc">
  
153 <p>this·option·is·off·by·default·</p>153 <p>this·option·is·off·by·default·</p>
  
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155 </div>155 </div>
156 </div>156 </div>
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158 <h2·class="memtitle"><span·class="permalink"><a·href="#abdff8d9ee157a1c5b669961e7235d0c3">&#9670;&#160;</a></span>DELETE_OVERESTIMATED_BONDS</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#abdff8d9ee157a1c5b669961e7235d0c3">&#9670;&#160;</a></span>DELETE_OVERESTIMATED_BONDS</h2>
  
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175 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>175 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
176 ··</tr>176 ··</tr>
177 </table>177 </table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p>this·option·is·off·by·default·</p>179 <p>this·option·is·off·by·default·</p>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
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184 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4bfed2cd5274ff351b4eee3059a7fe0">&#9670;&#160;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4bfed2cd5274ff351b4eee3059a7fe0">&#9670;&#160;</a></span>REESTIMATE_BONDORDERS_RINGS</h2>
  
185 <div·class="memitem">185 <div·class="memitem">
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201 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p>this·option·is·off·by·default·</p>205 <p>this·option·is·off·by·default·</p>
  
206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d06/a01832_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../dc/d06/a01832_source.html">buildBondsProcessor.h</a>.</p>206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">buildBondsProcessor.h</a>.</p>
  
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210 <!--·start·footer·part·-->210 <!--·start·footer·part·-->
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212 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8212 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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78 ··<div·class="headertitle"><div·class="title">object.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">multiLine.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d68/a01385_source.html">BALL/CONCEPT/autoDeletable.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01181_source.html">BALL/COMMON/rtti.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/d5c/a01358_source.html">BALL/VIEW/DATATYPE/vertex2.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/CONCEPT/bidirectionalIterator.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
85 <code>#include·&lt;BALL/CONCEPT/object.iC&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../dc/d35/a01400_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/d35/a01400_source.html">Go·to·the·source·code·of·this·file.</a></p>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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78 ··<div·class="headertitle"><div·class="title">compositeManager.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">steepestDescent.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d15/a00188_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d79/a00203_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../dc/d57/a00194_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/d57/a00194_source.html">Go·to·the·source·code·of·this·file.</a></p>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/dcf/a05807.html">List·of·all·members</a>··</div>77 <a·href="../../d2/dcf/a05807.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RelNegativePartialCharge·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RelNegativePartialCharge·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RelNegativePartialCharge:</div>83 Inheritance·diagram·for·BALL::RelNegativePartialCharge:</div>
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85 ·<div·class="center">85 ·<div·class="center">
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87 ··<map·id="BALL::RelNegativePartialCharge_map"·name="BALL::RelNegativePartialCharge_map">87 ··<map·id="BALL::RelNegativePartialCharge_map"·name="BALL::RelNegativePartialCharge_map">
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183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p>This·descriptor·returns·the·fraction·of·negative·partial·charges,·which·is·calculated·by·deviding·the·most·negative·partial·charge·value·by·the·sum·of·negative·partial·charges.·</p>188 <div·class="textblock"><p>This·descriptor·returns·the·fraction·of·negative·partial·charges,·which·is·calculated·by·deviding·the·most·negative·partial·charge·value·by·the·sum·of·negative·partial·charges.·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/daf/a01019_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../db/daf/a01019_source.html">partialChargeDescriptors.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00130">130</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="a0469e138bf97d138894f3fbacf49245c"·name="a0469e138bf97d138894f3fbacf49245c"></a>191 <a·id="a0469e138bf97d138894f3fbacf49245c"·name="a0469e138bf97d138894f3fbacf49245c"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a0469e138bf97d138894f3fbacf49245c">&#9670;&#160;</a></span>RelNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a0469e138bf97d138894f3fbacf49245c">&#9670;&#160;</a></span>RelNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
193 <div·class="memitem">193 <div·class="memitem">
194 <div·class="memproto">194 <div·class="memproto">
195 ······<table·class="memname">195 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/d1d/a03947.html">List·of·all·members</a>··</div>77 <a·href="../../da/d1d/a03947.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::LineBasedFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::LineBasedFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d8/d08/a02143.html">General·Purpose·File·Formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d39/a01271_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::LineBasedFile:</div>83 Inheritance·diagram·for·BALL::LineBasedFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/d61/a03950.png"·usemap="#BALL::LineBasedFile_map"·alt=""/>86 ··<img·src="../../dc/d61/a03950.png"·usemap="#BALL::LineBasedFile_map"·alt=""/>
87 ··<map·id="BALL::LineBasedFile_map"·name="BALL::LineBasedFile_map">87 ··<map·id="BALL::LineBasedFile_map"·name="BALL::LineBasedFile_map">
88 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="270,336,440,360"/>88 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="270,336,440,360"/>
Offset 349, 15 lines modifiedOffset 349, 15 lines modified
349 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>349 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
350 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>350 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
351 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>351 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
352 </table>352 </table>
353 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>353 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
354 <div·class="textblock"><p>A·class·for·the·convenient·parsing·of·line-based·file·formats.·</p>354 <div·class="textblock"><p>A·class·for·the·convenient·parsing·of·line-based·file·formats.·</p>
  
355 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">lineBasedFile.h</a>.</p>355 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
356 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>356 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
357 <a·id="a442709c7d34e5e38a5484dca7c1a7651"·name="a442709c7d34e5e38a5484dca7c1a7651"></a>357 <a·id="a442709c7d34e5e38a5484dca7c1a7651"·name="a442709c7d34e5e38a5484dca7c1a7651"></a>
358 <h2·class="memtitle"><span·class="permalink"><a·href="#a442709c7d34e5e38a5484dca7c1a7651">&#9670;&#160;</a></span>LineBasedFile()·<span·class="overload">[1/2]</span></h2>358 <h2·class="memtitle"><span·class="permalink"><a·href="#a442709c7d34e5e38a5484dca7c1a7651">&#9670;&#160;</a></span>LineBasedFile()·<span·class="overload">[1/2]</span></h2>
  
359 <div·class="memitem">359 <div·class="memitem">
360 <div·class="memproto">360 <div·class="memproto">
361 ······<table·class="memname">361 ······<table·class="memname">
Offset 990, 15 lines modifiedOffset 990, 15 lines modified
990 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>990 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
991 ··</tr>991 ··</tr>
992 </table>992 </table>
993 </div><div·class="memdoc">993 </div><div·class="memdoc">
  
994 <p>buffer·for·column·parsing·</p>994 <p>buffer·for·column·parsing·</p>
  
995 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">lineBasedFile.h</a>.</p>995 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
996 </div>996 </div>
997 </div>997 </div>
998 <a·id="a26e413d05a52dada6af82a90982366ef"·name="a26e413d05a52dada6af82a90982366ef"></a>998 <a·id="a26e413d05a52dada6af82a90982366ef"·name="a26e413d05a52dada6af82a90982366ef"></a>
999 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e413d05a52dada6af82a90982366ef">&#9670;&#160;</a></span>line_</h2>999 <h2·class="memtitle"><span·class="permalink"><a·href="#a26e413d05a52dada6af82a90982366ef">&#9670;&#160;</a></span>line_</h2>
  
1000 <div·class="memitem">1000 <div·class="memitem">
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1016 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1016 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1017 ··</tr>1017 ··</tr>
1018 </table>1018 </table>
1019 </div><div·class="memdoc">1019 </div><div·class="memdoc">
  
1020 <p>buffer·for·the·line·in·use·</p>1020 <p>buffer·for·the·line·in·use·</p>
  
1021 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">lineBasedFile.h</a>.</p>1021 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00173">173</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1022 </div>1022 </div>
1023 </div>1023 </div>
1024 <a·id="afbe494087d077bb9c9fca1eefe56bc30"·name="afbe494087d077bb9c9fca1eefe56bc30"></a>1024 <a·id="afbe494087d077bb9c9fca1eefe56bc30"·name="afbe494087d077bb9c9fca1eefe56bc30"></a>
1025 <h2·class="memtitle"><span·class="permalink"><a·href="#afbe494087d077bb9c9fca1eefe56bc30">&#9670;&#160;</a></span>line_number_</h2>1025 <h2·class="memtitle"><span·class="permalink"><a·href="#afbe494087d077bb9c9fca1eefe56bc30">&#9670;&#160;</a></span>line_number_</h2>
  
1026 <div·class="memitem">1026 <div·class="memitem">
Offset 1042, 15 lines modifiedOffset 1042, 15 lines modified
1042 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1042 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1043 ··</tr>1043 ··</tr>
1044 </table>1044 </table>
1045 </div><div·class="memdoc">1045 </div><div·class="memdoc">
  
1046 <p>line·number·in·the·file·</p>1046 <p>line·number·in·the·file·</p>
  
1047 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">lineBasedFile.h</a>.</p>1047 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1048 </div>1048 </div>
1049 </div>1049 </div>
1050 <a·id="af960bcc5b735d96140c5f24815f0814e"·name="af960bcc5b735d96140c5f24815f0814e"></a>1050 <a·id="af960bcc5b735d96140c5f24815f0814e"·name="af960bcc5b735d96140c5f24815f0814e"></a>
1051 <h2·class="memtitle"><span·class="permalink"><a·href="#af960bcc5b735d96140c5f24815f0814e">&#9670;&#160;</a></span>trim_whitespaces_</h2>1051 <h2·class="memtitle"><span·class="permalink"><a·href="#af960bcc5b735d96140c5f24815f0814e">&#9670;&#160;</a></span>trim_whitespaces_</h2>
  
1052 <div·class="memitem">1052 <div·class="memitem">
Offset 1066, 15 lines modifiedOffset 1066, 15 lines modified
1066 ··</td>1066 ··</td>
1067 ··<td·class="mlabels-right">1067 ··<td·class="mlabels-right">
1068 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>1068 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
1069 ··</tr>1069 ··</tr>
1070 </table>1070 </table>
1071 </div><div·class="memdoc">1071 </div><div·class="memdoc">
  
1072 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d39/a01271_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../dd/d39/a01271_source.html">lineBasedFile.h</a>.</p>1072 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d69/a00878_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d5/d69/a00878_source.html">lineBasedFile.h</a>.</p>
  
1073 </div>1073 </div>
1074 </div>1074 </div>
1075 </div><!--·contents·-->1075 </div><!--·contents·-->
1076 <!--·start·footer·part·-->1076 <!--·start·footer·part·-->
1077 <hr·class="footer"/><address·class="footer"><small>1077 <hr·class="footer"/><address·class="footer"><small>
1078 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.81078 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/d1c/a04747.html">List·of·all·members</a>··</div>78 <a·href="../../d7/d1c/a04747.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Sp3HybridizedPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Sp3HybridizedPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Sp3HybridizedPredicate:</div>84 Inheritance·diagram·for·BALL::Sp3HybridizedPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/d64/a04750.png"·usemap="#BALL::Sp3HybridizedPredicate_map"·alt=""/>87 ··<img·src="../../dc/d64/a04750.png"·usemap="#BALL::Sp3HybridizedPredicate_map"·alt=""/>
88 ··<map·id="BALL::Sp3HybridizedPredicate_map"·name="BALL::Sp3HybridizedPredicate_map">88 ··<map·id="BALL::Sp3HybridizedPredicate_map"·name="BALL::Sp3HybridizedPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·sp3·hybridized·atoms.·</p>131 <div·class="textblock"><p>Predicate·indicating·sp3·hybridized·atoms.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00760">760</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"·name="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"></a>134 <a·id="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"·name="a04fe4f9bb9b83abd8e0fe45bcd0cb6f0"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a04fe4f9bb9b83abd8e0fe45bcd0cb6f0">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a04fe4f9bb9b83abd8e0fe45bcd0cb6f0">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d6/df6/a05611.html">List·of·all·members</a>··</div>79 <a·href="../../d6/df6/a05611.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::QSAR::BayesModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::QSAR::BayesModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::QSAR::BayesModel:</div>85 Inheritance·diagram·for·BALL::QSAR::BayesModel:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dc/d69/a05614.png"·usemap="#BALL::QSAR::BayesModel_map"·alt=""/>88 ··<img·src="../../dc/d69/a05614.png"·usemap="#BALL::QSAR::BayesModel_map"·alt=""/>
89 ··<map·id="BALL::QSAR::BayesModel_map"·name="BALL::QSAR::BayesModel_map">89 ··<map·id="BALL::QSAR::BayesModel_map"·name="BALL::QSAR::BayesModel_map">
90 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="105,56,305,80"/>90 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="105,56,305,80"/>
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255 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>255 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
256 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>256 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
257 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>257 <tr·class="separator:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
258 </table>258 </table>
259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>259 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
260 <div·class="textblock"><p>interface·class·for·all·Bayes·classification·models·</p>260 <div·class="textblock"><p>interface·class·for·all·Bayes·classification·models·</p>
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">bayesModel.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>262 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
263 <a·id="aaa532c8604c904a197910b99f6a8fd59"·name="aaa532c8604c904a197910b99f6a8fd59"></a>263 <a·id="aaa532c8604c904a197910b99f6a8fd59"·name="aaa532c8604c904a197910b99f6a8fd59"></a>
264 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa532c8604c904a197910b99f6a8fd59">&#9670;&#160;</a></span>BayesModel()</h2>264 <h2·class="memtitle"><span·class="permalink"><a·href="#aaa532c8604c904a197910b99f6a8fd59">&#9670;&#160;</a></span>BayesModel()</h2>
  
265 <div·class="memitem">265 <div·class="memitem">
266 <div·class="memproto">266 <div·class="memproto">
267 ······<table·class="memname">267 ······<table·class="memname">
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398 ··<td·class="mlabels-right">398 ··<td·class="mlabels-right">
399 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>399 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
400 ··</tr>400 ··</tr>
401 </table>401 </table>
402 </div><div·class="memdoc">402 </div><div·class="memdoc">
403 <p>the·minimal·desired·difference·between·the·predicted·class·and·the·second·best·class.·If·the·difference·is·smaller·than·this·value,·undef_act_class_id_·should·be·used·instead.·</p>403 <p>the·minimal·desired·difference·between·the·predicted·class·and·the·second·best·class.·If·the·difference·is·smaller·than·this·value,·undef_act_class_id_·should·be·used·instead.·</p>
  
404 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">bayesModel.h</a>.</p>404 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
  
405 </div>405 </div>
406 </div>406 </div>
407 <a·id="a3706db0d81423bf3e734edb510824c86"·name="a3706db0d81423bf3e734edb510824c86"></a>407 <a·id="a3706db0d81423bf3e734edb510824c86"·name="a3706db0d81423bf3e734edb510824c86"></a>
408 <h2·class="memtitle"><span·class="permalink"><a·href="#a3706db0d81423bf3e734edb510824c86">&#9670;&#160;</a></span>undef_act_class_id_</h2>408 <h2·class="memtitle"><span·class="permalink"><a·href="#a3706db0d81423bf3e734edb510824c86">&#9670;&#160;</a></span>undef_act_class_id_</h2>
  
409 <div·class="memitem">409 <div·class="memitem">
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423 ··<td·class="mlabels-right">423 ··<td·class="mlabels-right">
424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>424 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
425 ··</tr>425 ··</tr>
426 </table>426 </table>
427 </div><div·class="memdoc">427 </div><div·class="memdoc">
428 <p>the·class_id·that·is·to·be·assigned,·if·no·class·could·be·savely·predicted,·if·difference·between·best·and·second·best·potential·class·is·smaller·than·min_prob_diff_·</p>428 <p>the·class_id·that·is·to·be·assigned,·if·no·class·could·be·savely·predicted,·if·difference·between·best·and·second·best·potential·class·is·smaller·than·min_prob_diff_·</p>
  
429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">bayesModel.h</a>.</p>429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc4/a00443_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d0/dc4/a00443_source.html">bayesModel.h</a>.</p>
  
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100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db2/a00737_source.html#l00401">401</a>·of·file·<a·class="el"·href="../../dd/db2/a00737_source.html">plane3.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d39/a00257_source.html#l00401">401</a>·of·file·<a·class="el"·href="../../d9/d39/a00257_source.html">plane3.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <h2·class="groupheader">Function·Documentation</h2>103 <h2·class="groupheader">Function·Documentation</h2>
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133 <p>Output·operator·Prints·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>133 <p>Output·operator·Prints·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>
  
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136 </div>136 </div>
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138 <h2·class="memtitle"><span·class="permalink"><a·href="#ga5fec0b96f2519d2b1f62607835f6038f">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>138 <h2·class="memtitle"><span·class="permalink"><a·href="#ga5fec0b96f2519d2b1f62607835f6038f">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
139 <div·class="memitem">139 <div·class="memitem">
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163 ········</tr>163 ········</tr>
164 ······</table>164 ······</table>
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166 <p>Input·operator·reads·in·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>166 <p>Input·operator·reads·in·two·instances·of·<a·class="el"·href="../../d6/d54/a04918.html">TVector3</a>:·<b>p,·n</b>·</p>
  
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">version.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pluginDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../da/d36/a00650_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QModelIndex&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../dc/d70/a01187_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dc/d70/a01187_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 99 <tr·class="memitem:d8/d6f/a02234"·id="r_d8/d6f/a02234"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6f/a02234.html">Ui</a></td></tr>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">quadraticAngleBend.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">triangulatedSurface.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d41/a01661_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;list&gt;</code><br·/>
 88 <code>#include·&lt;vector&gt;</code><br·/>
84 </div>89 </div>
85 <p><a·href="../../dc/d71/a01664_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../dc/d71/a01664_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">91 <table·class="memberdecls">
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d43/a05406.html">BALL::QuadraticAngleBend</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html">BALL::TriangulatedSurface</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d53/a05410.html">BALL::QuadraticAngleBend::Values</a></td></tr>96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d2a/a07326.html">BALL::TriangulatedSphere</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 109 <tr·class="memitem:ga45d118dec43b8f807e4136d36445e0d2"·id="r_ga45d118dec43b8f807e4136d36445e0d2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga45d118dec43b8f807e4136d36445e0d2">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d5/d6f/a07322.html">TriangulatedSurface</a>·&amp;surface)</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d7/dc5/a06143.html">List·of·all·members</a>··</div>79 <a·href="../../d7/dc5/a06143.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::GridSetsResult·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GridBasedScoring::GridSetsResult·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d48/a02069_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a01985_source.html">BALL/SCORING/COMMON/gridBasedScoring.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a77c29988714d75e0a32c81cdd29c7352"·id="r_a77c29988714d75e0a32c81cdd29c7352"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a77c29988714d75e0a32c81cdd29c7352">setup</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·no_gridSets)</td></tr>87 <tr·class="memitem:a77c29988714d75e0a32c81cdd29c7352"·id="r_a77c29988714d75e0a32c81cdd29c7352"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a77c29988714d75e0a32c81cdd29c7352">setup</a>·(<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·no_gridSets)</td></tr>
88 <tr·class="separator:a77c29988714d75e0a32c81cdd29c7352"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a77c29988714d75e0a32c81cdd29c7352"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 <tr·class="separator:a454a9778c11ab5b050c101e41fb44c99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a454a9778c11ab5b050c101e41fb44c99"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:a5f36a179da381555bdcb4d75a2cbf5c6"·id="r_a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a5f36a179da381555bdcb4d75a2cbf5c6">no_out_of_grid</a></td></tr>97 <tr·class="memitem:a5f36a179da381555bdcb4d75a2cbf5c6"·id="r_a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memItemLeft"·align="right"·valign="top">std::vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d71/a06146.html#a5f36a179da381555bdcb4d75a2cbf5c6">no_out_of_grid</a></td></tr>
98 <tr·class="separator:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a5f36a179da381555bdcb4d75a2cbf5c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00096">96</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
103 </div><h2·class="groupheader">Member·Function·Documentation</h2>103 </div><h2·class="groupheader">Member·Function·Documentation</h2>
104 <a·id="a77c29988714d75e0a32c81cdd29c7352"·name="a77c29988714d75e0a32c81cdd29c7352"></a>104 <a·id="a77c29988714d75e0a32c81cdd29c7352"·name="a77c29988714d75e0a32c81cdd29c7352"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a77c29988714d75e0a32c81cdd29c7352">&#9670;&#160;</a></span>setup()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a77c29988714d75e0a32c81cdd29c7352">&#9670;&#160;</a></span>setup()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 ······<table·class="memname">108 ······<table·class="memname">
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129 ········<tr>129 ········<tr>
130 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::gridSet_scores</td>130 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::gridSet_scores</td>
131 ········</tr>131 ········</tr>
132 ······</table>132 ······</table>
133 </div><div·class="memdoc">133 </div><div·class="memdoc">
134 <p>contains·one·energy·value·per·GridSet·</p>134 <p>contains·one·energy·value·per·GridSet·</p>
  
135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>135 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
136 </div>136 </div>
137 </div>137 </div>
138 <a·id="a454a9778c11ab5b050c101e41fb44c99"·name="a454a9778c11ab5b050c101e41fb44c99"></a>138 <a·id="a454a9778c11ab5b050c101e41fb44c99"·name="a454a9778c11ab5b050c101e41fb44c99"></a>
139 <h2·class="memtitle"><span·class="permalink"><a·href="#a454a9778c11ab5b050c101e41fb44c99">&#9670;&#160;</a></span>no_neighbors</h2>139 <h2·class="memtitle"><span·class="permalink"><a·href="#a454a9778c11ab5b050c101e41fb44c99">&#9670;&#160;</a></span>no_neighbors</h2>
  
140 <div·class="memitem">140 <div·class="memitem">
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146 ········<tr>146 ········<tr>
147 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_neighbors</td>147 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_neighbors</td>
148 ········</tr>148 ········</tr>
149 ······</table>149 ······</table>
150 </div><div·class="memdoc">150 </div><div·class="memdoc">
151 <p>for·each·GridSet,·it·contains·the·average·number·of·neighbors·to·each·atom·of·the·current·ligand·</p>151 <p>for·each·GridSet,·it·contains·the·average·number·of·neighbors·to·each·atom·of·the·current·ligand·</p>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00102">102</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00102">102</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 <a·id="a5f36a179da381555bdcb4d75a2cbf5c6"·name="a5f36a179da381555bdcb4d75a2cbf5c6"></a>155 <a·id="a5f36a179da381555bdcb4d75a2cbf5c6"·name="a5f36a179da381555bdcb4d75a2cbf5c6"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f36a179da381555bdcb4d75a2cbf5c6">&#9670;&#160;</a></span>no_out_of_grid</h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#a5f36a179da381555bdcb4d75a2cbf5c6">&#9670;&#160;</a></span>no_out_of_grid</h2>
  
157 <div·class="memitem">157 <div·class="memitem">
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163 ········<tr>163 ········<tr>
164 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_out_of_grid</td>164 ··········<td·class="memname">std::vector&lt;<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&gt;·BALL::GridBasedScoring::GridSetsResult::no_out_of_grid</td>
165 ········</tr>165 ········</tr>
166 ······</table>166 ······</table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
168 <p>for·each·GridSet,·it·contains·the·number·of·atoms·of·the·current·ligand·that·lie·outside·of·the·GridSet·</p>168 <p>for·each·GridSet,·it·contains·the·number·of·atoms·of·the·current·ligand·that·lie·outside·of·the·GridSet·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d48/a02069_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d3/d48/a02069_source.html">gridBasedScoring.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a01985_source.html#l00105">105</a>·of·file·<a·class="el"·href="../../d3/def/a01985_source.html">gridBasedScoring.h</a>.</p>
  
170 </div>170 </div>
171 </div>171 </div>
172 </div><!--·contents·-->172 </div><!--·contents·-->
173 <!--·start·footer·part·-->173 <!--·start·footer·part·-->
174 <hr·class="footer"/><address·class="footer"><small>174 <hr·class="footer"/><address·class="footer"><small>
175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8175 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d3/dd2/a05215.html">List·of·all·members</a>··</div>78 <a·href="../../d3/dd2/a05215.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::StrangLBFGSMinimizer::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a01505_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/MOLMEC/MINIMIZATION/strangLBFGS.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a66d9bb0b86a3821053b56bdde64632ee"·id="r_a66d9bb0b86a3821053b56bdde64632ee"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a66d9bb0b86a3821053b56bdde64632ee">IMPROVED</a></td></tr>86 <tr·class="memitem:a66d9bb0b86a3821053b56bdde64632ee"·id="r_a66d9bb0b86a3821053b56bdde64632ee"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a66d9bb0b86a3821053b56bdde64632ee">IMPROVED</a></td></tr>
87 <tr·class="separator:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a66d9bb0b86a3821053b56bdde64632ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a119b5980f1875c966ebf87ec2aae406e"·id="r_a119b5980f1875c966ebf87ec2aae406e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a119b5980f1875c966ebf87ec2aae406e">NUM_OF_STORED_VECT_PAIRS</a></td></tr>88 <tr·class="memitem:a119b5980f1875c966ebf87ec2aae406e"·id="r_a119b5980f1875c966ebf87ec2aae406e"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d72/a05218.html#a119b5980f1875c966ebf87ec2aae406e">NUM_OF_STORED_VECT_PAIRS</a></td></tr>
89 <tr·class="separator:a119b5980f1875c966ebf87ec2aae406e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a119b5980f1875c966ebf87ec2aae406e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a01505_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../dc/dce/a01505_source.html">strangLBFGS.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a66d9bb0b86a3821053b56bdde64632ee"·name="a66d9bb0b86a3821053b56bdde64632ee"></a>95 <a·id="a66d9bb0b86a3821053b56bdde64632ee"·name="a66d9bb0b86a3821053b56bdde64632ee"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a66d9bb0b86a3821053b56bdde64632ee">&#9670;&#160;</a></span>IMPROVED</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a66d9bb0b86a3821053b56bdde64632ee">&#9670;&#160;</a></span>IMPROVED</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
113 </table>113 </table>
114 </div><div·class="memdoc">114 </div><div·class="memdoc">
115 <p>Should·the·improved·version·be·used?·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·false.·</p>115 <p>Should·the·improved·version·be·used?·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·false.·</p>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a01505_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../dc/dce/a01505_source.html">strangLBFGS.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 <a·id="a119b5980f1875c966ebf87ec2aae406e"·name="a119b5980f1875c966ebf87ec2aae406e"></a>119 <a·id="a119b5980f1875c966ebf87ec2aae406e"·name="a119b5980f1875c966ebf87ec2aae406e"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a119b5980f1875c966ebf87ec2aae406e">&#9670;&#160;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a119b5980f1875c966ebf87ec2aae406e">&#9670;&#160;</a></span>NUM_OF_STORED_VECT_PAIRS</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
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135 ··<td·class="mlabels-right">135 ··<td·class="mlabels-right">
136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
137 ··</tr>137 ··</tr>
138 </table>138 </table>
139 </div><div·class="memdoc">139 </div><div·class="memdoc">
140 <p>Maximum·number·of·stored·vector·pairs.·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·5.·</p>140 <p>Maximum·number·of·stored·vector·pairs.·<a·class="el"·href="../../dc/d72/a05218.html">Default</a>·is·5.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a01505_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../dc/dce/a01505_source.html">strangLBFGS.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">strangLBFGS.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d11/a03267.html">List·of·all·members</a>··</div>78 <a·href="../../de/d11/a03267.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex::IncompatibleIndex·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::EnumeratorIndex::IncompatibleIndex·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d1c/a01397_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8b/a00821_source.html">BALL/CONCEPT/enumerator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::EnumeratorIndex::IncompatibleIndex:</div>84 Inheritance·diagram·for·BALL::EnumeratorIndex::IncompatibleIndex:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/d77/a03270.png"·usemap="#BALL::EnumeratorIndex::IncompatibleIndex_map"·alt=""/>87 ··<img·src="../../dc/d77/a03270.png"·usemap="#BALL::EnumeratorIndex::IncompatibleIndex_map"·alt=""/>
88 ··<map·id="BALL::EnumeratorIndex::IncompatibleIndex_map"·name="BALL::EnumeratorIndex::IncompatibleIndex_map">88 ··<map·id="BALL::EnumeratorIndex::IncompatibleIndex_map"·name="BALL::EnumeratorIndex::IncompatibleIndex_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,250,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,250,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·for·reporting·incompatible·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·instances,·i.e.·instances·with·different·moduli.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·for·reporting·incompatible·<a·class="el"·href="../../d6/d8d/a03266.html">EnumeratorIndex</a>·instances,·i.e.·instances·with·different·moduli.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d1c/a01397_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d7/d1c/a01397_source.html">enumerator.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8b/a00821_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d6/d8b/a00821_source.html">enumerator.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a25d5e2777c7803aa370c0aa23a959aa9"·name="a25d5e2777c7803aa370c0aa23a959aa9"></a>146 <a·id="a25d5e2777c7803aa370c0aa23a959aa9"·name="a25d5e2777c7803aa370c0aa23a959aa9"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a25d5e2777c7803aa370c0aa23a959aa9">&#9670;&#160;</a></span>IncompatibleIndex()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a25d5e2777c7803aa370c0aa23a959aa9">&#9670;&#160;</a></span>IncompatibleIndex()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/d01/a05519.html">List·of·all·members</a>··</div>77 <a·href="../../de/d01/a05519.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RandomCoilShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RandomCoilShiftProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d61/a02179.html">Nuclear·Magnetic·Resonance·Spectroscopy</a>·&raquo;·<a·class="el"·href="../../d5/db4/a02182.html">Shift·modules</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d9/db3/a01064_source.html">BALL/NMR/randomCoilShiftProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d99/a01634_source.html">BALL/NMR/randomCoilShiftProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RandomCoilShiftProcessor:</div>83 Inheritance·diagram·for·BALL::RandomCoilShiftProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/d79/a05522.png"·usemap="#BALL::RandomCoilShiftProcessor_map"·alt=""/>86 ··<img·src="../../dc/d79/a05522.png"·usemap="#BALL::RandomCoilShiftProcessor_map"·alt=""/>
87 ··<map·id="BALL::RandomCoilShiftProcessor_map"·name="BALL::RandomCoilShiftProcessor_map">87 ··<map·id="BALL::RandomCoilShiftProcessor_map"·name="BALL::RandomCoilShiftProcessor_map">
88 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>88 <area·href="../../df/de9/a05538.html"·alt="BALL::ShiftModule"·shape="rect"·coords="0,112,316,136"/>
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178 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>178 <tr·class="separator:a8cc2dbd8f03470ba9e692e2314e1ed39·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
179 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"·id="r_ac11c2bfe6d81e9c47aa2400f58750bd2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>179 <tr·class="memitem:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"·id="r_ac11c2bfe6d81e9c47aa2400f58750bd2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a05538.html#ac11c2bfe6d81e9c47aa2400f58750bd2">valid_</a></td></tr>
180 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>180 <tr·class="separator:ac11c2bfe6d81e9c47aa2400f58750bd2·inherit·pro_attribs_a05538"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
181 </table>181 </table>
182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>182 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
183 <div·class="textblock"><p>Random·coil·shift·assignment·processor.·&lt;&gt;·</p>183 <div·class="textblock"><p>Random·coil·shift·assignment·processor.·&lt;&gt;·</p>
  
184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">randomCoilShiftProcessor.h</a>.</p>184 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">randomCoilShiftProcessor.h</a>.</p>
185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>185 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
186 <a·id="a95b063332eb8bea15a36cb4f4438a09f"·name="a95b063332eb8bea15a36cb4f4438a09f"></a>186 <a·id="a95b063332eb8bea15a36cb4f4438a09f"·name="a95b063332eb8bea15a36cb4f4438a09f"></a>
187 <h2·class="memtitle"><span·class="permalink"><a·href="#a95b063332eb8bea15a36cb4f4438a09f">&#9670;&#160;</a></span>RandomCoilShiftProcessor()·<span·class="overload">[1/2]</span></h2>187 <h2·class="memtitle"><span·class="permalink"><a·href="#a95b063332eb8bea15a36cb4f4438a09f">&#9670;&#160;</a></span>RandomCoilShiftProcessor()·<span·class="overload">[1/2]</span></h2>
  
188 <div·class="memitem">188 <div·class="memitem">
189 <div·class="memproto">189 <div·class="memproto">
190 ······<table·class="memname">190 ······<table·class="memname">
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323 ··<td·class="mlabels-right">323 ··<td·class="mlabels-right">
324 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>324 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
325 ··</tr>325 ··</tr>
326 </table>326 </table>
327 </div><div·class="memdoc">327 </div><div·class="memdoc">
328 <p>A·symbolic·name·for·the·random·coil·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>328 <p>A·symbolic·name·for·the·random·coil·contribution·to·the·chemical·shift·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/de9/a05538.html#aac00de78f850f08f81f0dfc97283387d">ShiftModule::PROPERTY__SHIFT</a>·</dd></dl>
  
329 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">randomCoilShiftProcessor.h</a>.</p>329 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">randomCoilShiftProcessor.h</a>.</p>
  
330 </div>330 </div>
331 </div>331 </div>
332 <a·id="af8efb1ef01e03c490ec795c1abb35e61"·name="af8efb1ef01e03c490ec795c1abb35e61"></a>332 <a·id="af8efb1ef01e03c490ec795c1abb35e61"·name="af8efb1ef01e03c490ec795c1abb35e61"></a>
333 <h2·class="memtitle"><span·class="permalink"><a·href="#af8efb1ef01e03c490ec795c1abb35e61">&#9670;&#160;</a></span>shift_map_</h2>333 <h2·class="memtitle"><span·class="permalink"><a·href="#af8efb1ef01e03c490ec795c1abb35e61">&#9670;&#160;</a></span>shift_map_</h2>
  
334 <div·class="memitem">334 <div·class="memitem">
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347 ··</td>347 ··</td>
348 ··<td·class="mlabels-right">348 ··<td·class="mlabels-right">
349 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>349 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
350 ··</tr>350 ··</tr>
351 </table>351 </table>
352 </div><div·class="memdoc">352 </div><div·class="memdoc">
  
353 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db3/a01064_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d9/db3/a01064_source.html">randomCoilShiftProcessor.h</a>.</p>353 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d99/a01634_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d4/d99/a01634_source.html">randomCoilShiftProcessor.h</a>.</p>
  
354 </div>354 </div>
355 </div>355 </div>
356 </div><!--·contents·-->356 </div><!--·contents·-->
357 <!--·start·footer·part·-->357 <!--·start·footer·part·-->
358 <hr·class="footer"/><address·class="footer"><small>358 <hr·class="footer"/><address·class="footer"><small>
359 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8359 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d5/d09/a03651.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d09/a03651.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Scoring_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::DockResult::Scoring_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../db/d28/a01133_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d29/a01589_source.html">BALL/DOCKING/COMMON/dockResult.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ad695c097e3573c6730a73f50f150ab18"·id="r_ad695c097e3573c6730a73f50f150ab18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad695c097e3573c6730a73f50f150ab18">Scoring_</a>·()··throw·()</td></tr>87 <tr·class="memitem:ad695c097e3573c6730a73f50f150ab18"·id="r_ad695c097e3573c6730a73f50f150ab18"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad695c097e3573c6730a73f50f150ab18">Scoring_</a>·()··throw·()</td></tr>
88 <tr·class="separator:ad695c097e3573c6730a73f50f150ab18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:ad695c097e3573c6730a73f50f150ab18"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:af7a22e77a17e26b62c04d90abaff5286"·id="r_af7a22e77a17e26b62c04d90abaff5286"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#af7a22e77a17e26b62c04d90abaff5286">Scoring_</a>·(const·<a·class="el"·href="../../dc/d7b/a03654.html">Scoring_</a>·&amp;scoring)··throw·()</td></tr>89 <tr·class="memitem:af7a22e77a17e26b62c04d90abaff5286"·id="r_af7a22e77a17e26b62c04d90abaff5286"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#af7a22e77a17e26b62c04d90abaff5286">Scoring_</a>·(const·<a·class="el"·href="../../dc/d7b/a03654.html">Scoring_</a>·&amp;scoring)··throw·()</td></tr>
90 <tr·class="separator:af7a22e77a17e26b62c04d90abaff5286"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:af7a22e77a17e26b62c04d90abaff5286"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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106 <tr·class="separator:a12ba3cf798aa36025fa41b1fe96e4794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:a12ba3cf798aa36025fa41b1fe96e4794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
107 <tr·class="memitem:ad1cbc00827f3c64880f52a2e0f58c77d"·id="r_ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad1cbc00827f3c64880f52a2e0f58c77d">snapshot_order_</a></td></tr>107 <tr·class="memitem:ad1cbc00827f3c64880f52a2e0f58c77d"·id="r_ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memItemLeft"·align="right"·valign="top">vector&lt;·<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d7b/a03654.html#ad1cbc00827f3c64880f52a2e0f58c77d">snapshot_order_</a></td></tr>
108 <tr·class="separator:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:ad1cbc00827f3c64880f52a2e0f58c77d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
109 </table>109 </table>
110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>110 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
111 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·contains·information·about·the·scoring:·name·of·the·scoring·function,·options·of·the·function·and·scores·</p>111 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../d9/d3c/a03650.html">DockResult</a>.·This·class·contains·information·about·the·scoring:·name·of·the·scoring·function,·options·of·the·function·and·scores·</p>
  
112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>112 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00212">212</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>113 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
114 <a·id="ad695c097e3573c6730a73f50f150ab18"·name="ad695c097e3573c6730a73f50f150ab18"></a>114 <a·id="ad695c097e3573c6730a73f50f150ab18"·name="ad695c097e3573c6730a73f50f150ab18"></a>
115 <h2·class="memtitle"><span·class="permalink"><a·href="#ad695c097e3573c6730a73f50f150ab18">&#9670;&#160;</a></span>Scoring_()·<span·class="overload">[1/3]</span></h2>115 <h2·class="memtitle"><span·class="permalink"><a·href="#ad695c097e3573c6730a73f50f150ab18">&#9670;&#160;</a></span>Scoring_()·<span·class="overload">[1/3]</span></h2>
  
116 <div·class="memitem">116 <div·class="memitem">
117 <div·class="memproto">117 <div·class="memproto">
118 ······<table·class="memname">118 ······<table·class="memname">
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268 ········<tr>268 ········<tr>
269 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::DockResult::Scoring_::name_</td>269 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::DockResult::Scoring_::name_</td>
270 ········</tr>270 ········</tr>
271 ······</table>271 ······</table>
272 </div><div·class="memdoc">272 </div><div·class="memdoc">
273 <p>Name·of·scoring·function·</p>273 <p>Name·of·scoring·function·</p>
  
274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>274 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00240">240</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
275 </div>275 </div>
276 </div>276 </div>
277 <a·id="a0365841c6c42c997569827f3eb191301"·name="a0365841c6c42c997569827f3eb191301"></a>277 <a·id="a0365841c6c42c997569827f3eb191301"·name="a0365841c6c42c997569827f3eb191301"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#a0365841c6c42c997569827f3eb191301">&#9670;&#160;</a></span>options_</h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#a0365841c6c42c997569827f3eb191301">&#9670;&#160;</a></span>options_</h2>
  
279 <div·class="memitem">279 <div·class="memitem">
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285 ········<tr>285 ········<tr>
286 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::DockResult::Scoring_::options_</td>286 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::DockResult::Scoring_::options_</td>
287 ········</tr>287 ········</tr>
288 ······</table>288 ······</table>
289 </div><div·class="memdoc">289 </div><div·class="memdoc">
290 <p>options·of·scoring·function·</p>290 <p>options·of·scoring·function·</p>
  
291 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>291 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00243">243</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
292 </div>292 </div>
293 </div>293 </div>
294 <a·id="a12ba3cf798aa36025fa41b1fe96e4794"·name="a12ba3cf798aa36025fa41b1fe96e4794"></a>294 <a·id="a12ba3cf798aa36025fa41b1fe96e4794"·name="a12ba3cf798aa36025fa41b1fe96e4794"></a>
295 <h2·class="memtitle"><span·class="permalink"><a·href="#a12ba3cf798aa36025fa41b1fe96e4794">&#9670;&#160;</a></span>scores_</h2>295 <h2·class="memtitle"><span·class="permalink"><a·href="#a12ba3cf798aa36025fa41b1fe96e4794">&#9670;&#160;</a></span>scores_</h2>
  
296 <div·class="memitem">296 <div·class="memitem">
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302 ········<tr>302 ········<tr>
303 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·BALL::DockResult::Scoring_::scores_</td>303 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·BALL::DockResult::Scoring_::scores_</td>
304 ········</tr>304 ········</tr>
305 ······</table>305 ······</table>
306 </div><div·class="memdoc">306 </div><div·class="memdoc">
307 <p>Vector·of·scores·The·score·at·position·i·belongs·to·the·snapshot·i·</p>307 <p>Vector·of·scores·The·score·at·position·i·belongs·to·the·snapshot·i·</p>
  
308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>308 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00247">247</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
309 </div>309 </div>
310 </div>310 </div>
311 <a·id="ad1cbc00827f3c64880f52a2e0f58c77d"·name="ad1cbc00827f3c64880f52a2e0f58c77d"></a>311 <a·id="ad1cbc00827f3c64880f52a2e0f58c77d"·name="ad1cbc00827f3c64880f52a2e0f58c77d"></a>
312 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cbc00827f3c64880f52a2e0f58c77d">&#9670;&#160;</a></span>snapshot_order_</h2>312 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1cbc00827f3c64880f52a2e0f58c77d">&#9670;&#160;</a></span>snapshot_order_</h2>
  
313 <div·class="memitem">313 <div·class="memitem">
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319 ········<tr>319 ········<tr>
320 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::DockResult::Scoring_::snapshot_order_</td>320 ··········<td·class="memname">vector&lt;<a·class="el"·href="../../da/da2/a02217.html#af0843eac59f86cb6e03bf77a9c462868">Index</a>&gt;·BALL::DockResult::Scoring_::snapshot_order_</td>
321 ········</tr>321 ········</tr>
322 ······</table>322 ······</table>
323 </div><div·class="memdoc">323 </div><div·class="memdoc">
324 <p>Vector·of·snapshot·indices·The·indices·are·sorted·by·their·scores·</p>324 <p>Vector·of·snapshot·indices·The·indices·are·sorted·by·their·scores·</p>
  
325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d28/a01133_source.html#l00251">251</a>·of·file·<a·class="el"·href="../../db/d28/a01133_source.html">dockResult.h</a>.</p>325 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d29/a01589_source.html#l00251">251</a>·of·file·<a·class="el"·href="../../d7/d29/a01589_source.html">dockResult.h</a>.</p>
  
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molecularControl.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">kpcrModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d10/a00350_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d00/a00401_source.html">BALL/QSAR/pcrModel.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>
85 <code>#include·&lt;QtWidgets/QMenu&gt;</code><br·/> 
86 <code>#include·&lt;QtWidgets/QTreeView&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../dc/d84/a00338_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/d84/a00338_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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102 </div><!--·contents·-->99 </div><!--·contents·-->
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">preferencesObject.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">glOffscreenTarget.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/VIEW/RENDERING/renderWindow.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d5/da5/a01424_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>84 <code>#include·&lt;QtGui/QPaintDevice&gt;</code><br·/>
 85 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../dc/d85/a01436_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dc/d85/a01436_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/de3/a03326.html">BALL::PreferencesObject</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8b/a08238.html">BALL::VIEW::GLOffscreenTarget</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">93 </table><table·class="memberdecls">
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92 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 <a·href="../../da/d6d/a04019.html">List·of·all·members</a>··</div>80 <a·href="../../da/d6d/a04019.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::Sample·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::NMRStarFile::Sample·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../db/d40/a00959_source.html">BALL/FORMAT/NMRStarFile.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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113 <div·class="textblock"><p>Samples.·This·class·includes·all·information·of·a·NMRStar·file·sample.·</p>113 <div·class="textblock"><p>Samples.·This·class·includes·all·information·of·a·NMRStar·file·sample.·</p>
  
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>
72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">electrostaticPotentialCalculator.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">amberNonBonded.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d9/d77/a00095_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/> 
84 </div>87 </div>
85 <p><a·href="../../dc/d87/a00032_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../dc/d87/a00032_source.html">Go·to·the·source·code·of·this·file.</a></p>
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 108 <h2·class="memtitle"><span·class="permalink"><a·href="#a123bbb13717e24f338d0e9a5af1b9d09">&#9670;&#160;</a></span>AMBER_NB_ENABLED</h2>
  
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 110 <div·class="memproto">
 111 ······<table·class="memname">
 112 ········<tr>
 113 ··········<td·class="memname">#define·AMBER_NB_ENABLED&#160;&#160;&#160;&quot;enable·NB&quot;</td>
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 117 <p>flag·to·enable·NB·</p>
  
 118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">amberNonBonded.h</a>.</p>
  
 119 </div>
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78 ··<div·class="headertitle"><div·class="title">periodicBoundary.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">peakList.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/NMR/peak.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../dc/d87/a01649_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dc/d87/a01649_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
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76 ··<div·class="summary">76 ··<div·class="summary">
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79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Atom·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Atom·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Atom·&gt;:</div>84 Inheritance·diagram·for·BALL::KernelPredicate&lt;·Atom·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::KernelPredicate_3C_20Atom_20_3E_map"·name="BALL::KernelPredicate_3C_20Atom_20_3E_map">88 ··<map·id="BALL::KernelPredicate_3C_20Atom_20_3E_map"·name="BALL::KernelPredicate_3C_20Atom_20_3E_map">
89 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>89 <area·href="../../d0/d7c/a03318.html"·alt="BALL::UnaryPredicate&lt;·Composite·&gt;"·shape="rect"·coords="0,56,234,80"/>
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112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>112 <tr·class="memitem:af40a8c0bd6cf2bafaa4f0b1aad210eb9·inherit·pub_methods_a03318"·id="r_af40a8c0bd6cf2bafaa4f0b1aad210eb9"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#af40a8c0bd6cf2bafaa4f0b1aad210eb9">~UnaryPredicate</a>·()</td></tr>
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114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>114 <tr·class="memitem:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"·id="r_a58024bee9a55242839b214d7e45d067c"><td·class="memItemLeft"·align="right"·valign="top">virtual·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d7c/a03318.html#a58024bee9a55242839b214d7e45d067c">operator()</a>·(const·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;)·const</td></tr>
115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>115 <tr·class="separator:a58024bee9a55242839b214d7e45d067c·inherit·pub_methods_a03318"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
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122 <h2·class="memtitle"><span·class="permalink"><a·href="#a07f383fae14578b94f2e326ca1f1ebc9">&#9670;&#160;</a></span>~KernelPredicate()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a07f383fae14578b94f2e326ca1f1ebc9">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
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137 ··</td>137 ··</td>
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139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
140 ··</tr>140 ··</tr>
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143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
147 <a·id="acf0233572512267a491e130fdd3fa750"·name="acf0233572512267a491e130fdd3fa750"></a>147 <a·id="acf0233572512267a491e130fdd3fa750"·name="acf0233572512267a491e130fdd3fa750"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#acf0233572512267a491e130fdd3fa750">&#9670;&#160;</a></span>operator()()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#acf0233572512267a491e130fdd3fa750">&#9670;&#160;</a></span>operator()()</h2>
  
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168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>168 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
169 ··</tr>169 ··</tr>
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82 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
83 </div>83 </div>
84 <p><a·href="../../dc/d9a/a00218_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/d9a/a00218_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>87 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/da6/a04782.html">BALL::TBox3&lt;·T·&gt;</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db8/a07930.html">BALL::VIEW::PreferencesEntry::ExtendedPreferencesObject</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>95 </table><table·class="memberdecls">
 96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
 97 <tr·class="memitem:gaaae87380cfb6e34bf383d58b667ec0ba"·id="r_gaaae87380cfb6e34bf383d58b667ec0ba"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../db/da6/a04782.html">TBox3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gaaae87380cfb6e34bf383d58b667ec0ba">BALL::Box3</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:gaaae87380cfb6e34bf383d58b667ec0ba"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"·id="r_gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 100 <tr·class="memitem:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gad6a9fed3a1192e25c51ba83ca3cb7a61">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../db/da6/a04782.html">TBox3</a>&lt;·T·&gt;·&amp;box)</td></tr>
 101 <tr·class="separator:gad6a9fed3a1192e25c51ba83ca3cb7a61"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"·id="r_ga580c33abace8070619fef74dd4ded398"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 103 <tr·class="memitem:ga580c33abace8070619fef74dd4ded398"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga580c33abace8070619fef74dd4ded398">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/da6/a04782.html">TBox3</a>&lt;·T·&gt;·&amp;box)</td></tr>
 104 <tr·class="separator:ga580c33abace8070619fef74dd4ded398"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>105 </table>
100 </div><!--·contents·-->106 </div><!--·contents·-->
101 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
104 </small></address>110 </small></address>
105 </body>111 </body>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d64/a04443.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d64/a04443.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../df/de7/a02142.html">Molecular·Dynamics·Trajectory·File·Formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TrajectoryFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../df/de7/a02142.html">Molecular·Dynamics·Trajectory·File·Formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dd5/a01244_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TrajectoryFile:</div>83 Inheritance·diagram·for·BALL::TrajectoryFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/da0/a04446.png"·usemap="#BALL::TrajectoryFile_map"·alt=""/>86 ··<img·src="../../dc/da0/a04446.png"·usemap="#BALL::TrajectoryFile_map"·alt=""/>
87 ··<map·id="BALL::TrajectoryFile_map"·name="BALL::TrajectoryFile_map">87 ··<map·id="BALL::TrajectoryFile_map"·name="BALL::TrajectoryFile_map">
88 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="90,336,260,360"/>88 <area·href="../../db/d42/a07350.html"·alt="BALL::File"·shape="rect"·coords="90,336,260,360"/>
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303 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>303 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
304 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>304 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
305 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>305 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
306 </table>306 </table>
307 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>307 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
308 <div·class="textblock"><p>Trajectory·file·format·for·MD·simulation.·This·is·more·an·interface·definition·than·an·actual·class,·because·it·would·not·make·too·much·sense·to·create·yet-another-trajectory-format.·This·class·will·be·specialized·by·actual·formats,·like·DCD.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>308 <div·class="textblock"><p>Trajectory·file·format·for·MD·simulation.·This·is·more·an·interface·definition·than·an·actual·class,·because·it·would·not·make·too·much·sense·to·create·yet-another-trajectory-format.·This·class·will·be·specialized·by·actual·formats,·like·DCD.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
309 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">trajectoryFile.h</a>.</p>309 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
310 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>310 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
311 <a·id="a776955708015b38257a99d518459e9c0"·name="a776955708015b38257a99d518459e9c0"></a>311 <a·id="a776955708015b38257a99d518459e9c0"·name="a776955708015b38257a99d518459e9c0"></a>
312 <h2·class="memtitle"><span·class="permalink"><a·href="#a776955708015b38257a99d518459e9c0">&#9670;&#160;</a></span>TrajectoryFile()·<span·class="overload">[1/2]</span></h2>312 <h2·class="memtitle"><span·class="permalink"><a·href="#a776955708015b38257a99d518459e9c0">&#9670;&#160;</a></span>TrajectoryFile()·<span·class="overload">[1/2]</span></h2>
  
313 <div·class="memitem">313 <div·class="memitem">
314 <div·class="memproto">314 <div·class="memproto">
315 ······<table·class="memname">315 ······<table·class="memname">
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679 ··</td>679 ··</td>
680 ··<td·class="mlabels-right">680 ··<td·class="mlabels-right">
681 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>681 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
682 ··</tr>682 ··</tr>
683 </table>683 </table>
684 </div><div·class="memdoc">684 </div><div·class="memdoc">
  
685 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">trajectoryFile.h</a>.</p>685 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
  
686 </div>686 </div>
687 </div>687 </div>
688 <a·id="a84d9bbeefae2e43473d9c456c8527972"·name="a84d9bbeefae2e43473d9c456c8527972"></a>688 <a·id="a84d9bbeefae2e43473d9c456c8527972"·name="a84d9bbeefae2e43473d9c456c8527972"></a>
689 <h2·class="memtitle"><span·class="permalink"><a·href="#a84d9bbeefae2e43473d9c456c8527972">&#9670;&#160;</a></span>number_of_snapshots_</h2>689 <h2·class="memtitle"><span·class="permalink"><a·href="#a84d9bbeefae2e43473d9c456c8527972">&#9670;&#160;</a></span>number_of_snapshots_</h2>
  
690 <div·class="memitem">690 <div·class="memitem">
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703 ··</td>703 ··</td>
704 ··<td·class="mlabels-right">704 ··<td·class="mlabels-right">
705 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>705 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
706 ··</tr>706 ··</tr>
707 </table>707 </table>
708 </div><div·class="memdoc">708 </div><div·class="memdoc">
  
709 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dd5/a01244_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d4/dd5/a01244_source.html">trajectoryFile.h</a>.</p>709 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d38/a00926_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d8/d38/a00926_source.html">trajectoryFile.h</a>.</p>
  
710 </div>710 </div>
711 </div>711 </div>
712 </div><!--·contents·-->712 </div><!--·contents·-->
713 <!--·start·footer·part·-->713 <!--·start·footer·part·-->
714 <hr·class="footer"/><address·class="footer"><small>714 <hr·class="footer"/><address·class="footer"><small>
715 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8715 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d5e/a07103.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d5e/a07103.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::IncompatibleCoordinateSets·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RMSDMinimizer::IncompatibleCoordinateSets·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d92/a01796_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/df5/a01673_source.html">BALL/STRUCTURE/RMSDMinimizer.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::RMSDMinimizer::IncompatibleCoordinateSets:</div>84 Inheritance·diagram·for·BALL::RMSDMinimizer::IncompatibleCoordinateSets:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/da2/a07106.png"·usemap="#BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·alt=""/>87 ··<img·src="../../dc/da2/a07106.png"·usemap="#BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·alt=""/>
88 ··<map·id="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·name="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map">88 ··<map·id="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map"·name="BALL::RMSDMinimizer::IncompatibleCoordinateSets_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,301,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,301,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock">143 <div·class="textblock">
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d92/a01796_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d92/a01796_source.html">RMSDMinimizer.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/df5/a01673_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d9/df5/a01673_source.html">RMSDMinimizer.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="ade10d5939180bc11038e9e27d448771e"·name="ade10d5939180bc11038e9e27d448771e"></a>146 <a·id="ade10d5939180bc11038e9e27d448771e"·name="ade10d5939180bc11038e9e27d448771e"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#ade10d5939180bc11038e9e27d448771e">&#9670;&#160;</a></span>IncompatibleCoordinateSets()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#ade10d5939180bc11038e9e27d448771e">&#9670;&#160;</a></span>IncompatibleCoordinateSets()</h2>
  
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150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d8/d5b/a03867.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d5b/a03867.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::State·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::State·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/dad/a01235_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:af3eda1ccbd0089c9f7c9771a81856042"·id="r_af3eda1ccbd0089c9f7c9771a81856042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html#af3eda1ccbd0089c9f7c9771a81856042">current_parser</a></td></tr>86 <tr·class="memitem:af3eda1ccbd0089c9f7c9771a81856042"·id="r_af3eda1ccbd0089c9f7c9771a81856042"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html#af3eda1ccbd0089c9f7c9771a81856042">current_parser</a></td></tr>
87 <tr·class="separator:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:af3eda1ccbd0089c9f7c9771a81856042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../dc/db8/a03870.html">State</a>·of·the·parser·</p>90 <div·class="textblock"><p><a·class="el"·href="../../dc/db8/a03870.html">State</a>·of·the·parser·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00206">206</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00206">206</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="af3eda1ccbd0089c9f7c9771a81856042"·name="af3eda1ccbd0089c9f7c9771a81856042"></a>93 <a·id="af3eda1ccbd0089c9f7c9771a81856042"·name="af3eda1ccbd0089c9f7c9771a81856042"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#af3eda1ccbd0089c9f7c9771a81856042">&#9670;&#160;</a></span>current_parser</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#af3eda1ccbd0089c9f7c9771a81856042">&#9670;&#160;</a></span>current_parser</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 ······<table·class="memname">97 ······<table·class="memname">
98 ········<tr>98 ········<tr>
99 ··········<td·class="memname"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>*·BALL::CIFFile::State::current_parser</td>99 ··········<td·class="memname"><a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>*·BALL::CIFFile::State::current_parser</td>
100 ········</tr>100 ········</tr>
101 ······</table>101 ······</table>
102 </div><div·class="memdoc">102 </div><div·class="memdoc">
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00208">208</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
104 </div>104 </div>
105 </div>105 </div>
106 </div><!--·contents·-->106 </div><!--·contents·-->
107 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d38/a03259.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d38/a03259.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Embeddable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Embeddable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d2f/a01394_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Embeddable:</div>83 Inheritance·diagram·for·BALL::Embeddable:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/dbb/a03262.png"·usemap="#BALL::Embeddable_map"·alt=""/>86 ··<img·src="../../dc/dbb/a03262.png"·usemap="#BALL::Embeddable_map"·alt=""/>
87 ··<map·id="BALL::Embeddable_map"·name="BALL::Embeddable_map">87 ··<map·id="BALL::Embeddable_map"·name="BALL::Embeddable_map">
88 <area·href="../../d3/de9/a07014.html"·title="This·class·provides·conversion·of·atom·names·between·naming·schemata."·alt="BALL::Peptides::NameConverter"·shape="rect"·coords="0,56,299,80"/>88 <area·href="../../d3/de9/a07014.html"·title="This·class·provides·conversion·of·atom·names·between·naming·schemata."·alt="BALL::Peptides::NameConverter"·shape="rect"·coords="0,56,299,80"/>
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167 <div·class="textblock"><p>Python·Embedding·Base·Class.·This·class·defines·a·common·interface·for·all·classes·that·have·to·be·accessible·from·an·embedded·Python·interpreter.·Each·instance·of·a·class·derived·from·embeddable·can·be·registered·by·calling·<a·class="el"·href="../../dc/dbb/a03262.html#a0e1b26a3664edb64c4f35e3b76cd9be5">registerThis()</a>·of·the·instance·and·is·then·accessible·through·the·static·methods·of·the·class·(e.g.·getInstance).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>167 <div·class="textblock"><p>Python·Embedding·Base·Class.·This·class·defines·a·common·interface·for·all·classes·that·have·to·be·accessible·from·an·embedded·Python·interpreter.·Each·instance·of·a·class·derived·from·embeddable·can·be·registered·by·calling·<a·class="el"·href="../../dc/dbb/a03262.html#a0e1b26a3664edb64c4f35e3b76cd9be5">registerThis()</a>·of·the·instance·and·is·then·accessible·through·the·static·methods·of·the·class·(e.g.·getInstance).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
168 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/da8/a05582.html">PyInterpreter</a>·</dd>168 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/da8/a05582.html">PyInterpreter</a>·</dd>
169 <dd>169 <dd>
170 MainControl·</dd>170 MainControl·</dd>
171 <dd>171 <dd>
172 ModularWidget·</dd></dl>172 ModularWidget·</dd></dl>
  
173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">embeddable.h</a>.</p>173 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00081">81</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
174 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>174 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
175 <a·id="a9d9514a7fb12f0c3f231c31c79eec078"·name="a9d9514a7fb12f0c3f231c31c79eec078"></a>175 <a·id="a9d9514a7fb12f0c3f231c31c79eec078"·name="a9d9514a7fb12f0c3f231c31c79eec078"></a>
176 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d9514a7fb12f0c3f231c31c79eec078">&#9670;&#160;</a></span>EmbeddableVector</h2>176 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d9514a7fb12f0c3f231c31c79eec078">&#9670;&#160;</a></span>EmbeddableVector</h2>
  
177 <div·class="memitem">177 <div·class="memitem">
178 <div·class="memproto">178 <div·class="memproto">
179 ······<table·class="memname">179 ······<table·class="memname">
180 ········<tr>180 ········<tr>
181 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>*&gt;·<a·class="el"·href="../../dc/dbb/a03262.html#a9d9514a7fb12f0c3f231c31c79eec078">BALL::Embeddable::EmbeddableVector</a></td>181 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>*&gt;·<a·class="el"·href="../../dc/dbb/a03262.html#a9d9514a7fb12f0c3f231c31c79eec078">BALL::Embeddable::EmbeddableVector</a></td>
182 ········</tr>182 ········</tr>
183 ······</table>183 ······</table>
184 </div><div·class="memdoc">184 </div><div·class="memdoc">
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d2f/a01394_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d6/d2f/a01394_source.html">embeddable.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d30/a00848_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d9/d30/a00848_source.html">embeddable.h</a>.</p>
  
186 </div>186 </div>
187 </div>187 </div>
188 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>188 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
189 <a·id="a2fc764a4dabaa9011fe830cbf2e2aceb"·name="a2fc764a4dabaa9011fe830cbf2e2aceb"></a>189 <a·id="a2fc764a4dabaa9011fe830cbf2e2aceb"·name="a2fc764a4dabaa9011fe830cbf2e2aceb"></a>
190 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fc764a4dabaa9011fe830cbf2e2aceb">&#9670;&#160;</a></span>Embeddable()·<span·class="overload">[1/2]</span></h2>190 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fc764a4dabaa9011fe830cbf2e2aceb">&#9670;&#160;</a></span>Embeddable()·<span·class="overload">[1/2]</span></h2>
  
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473 ··</td>473 ··</td>
474 ··<td·class="mlabels-right">474 ··<td·class="mlabels-right">
475 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>475 <span·class="mlabels"><span·class="mlabel">virtual</span></span>··</td>
476 ··</tr>476 ··</tr>
477 </table>477 </table>
478 </div><div·class="memdoc">478 </div><div·class="memdoc">
479 <p>Register·the·instance.·DO·NOT·IMPLEMENT·THIS·METHOD!·It·is·automatically·implemented·correctly·when·putting·the·<a·class="el"·href="../../d6/d2f/a01394.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE·</a>·macro·in·a·class·definition.·</p><dl·class="section·see"><dt>See·also</dt><dd>getInstanceVector·</dd></dl>479 <p>Register·the·instance.·DO·NOT·IMPLEMENT·THIS·METHOD!·It·is·automatically·implemented·correctly·when·putting·the·<a·class="el"·href="../../d9/d30/a00848.html#a3b71888e44546068e37b21d2be0f9e24">BALL_EMBEDDABLE·</a>·macro·in·a·class·definition.·</p><dl·class="section·see"><dt>See·also</dt><dd>getInstanceVector·</dd></dl>
  
480 </div>480 </div>
481 </div>481 </div>
482 <a·id="a2ef7efa43de599f9d5945ec861c897cd"·name="a2ef7efa43de599f9d5945ec861c897cd"></a>482 <a·id="a2ef7efa43de599f9d5945ec861c897cd"·name="a2ef7efa43de599f9d5945ec861c897cd"></a>
483 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef7efa43de599f9d5945ec861c897cd">&#9670;&#160;</a></span>setIdentifier()</h2>483 <h2·class="memtitle"><span·class="permalink"><a·href="#a2ef7efa43de599f9d5945ec861c897cd">&#9670;&#160;</a></span>setIdentifier()</h2>
  
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>·&#124; 
78 <a·href="#func-members">Functions</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">timeStamp.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">primitives.doc·File·Reference</div></div>
80 </div><!--header-->72 </div><!--header-->
81 <div·class="contents">73 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d6/df2/a01175_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d19/a01190_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/CONCEPT/persistenceManager.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;iostream&gt;</code><br·/> 
87 <code>#include·&lt;BALL/CONCEPT/timeStamp.iC&gt;</code><br·/> 
88 </div> 
89 <p><a·href="../../dc/dbc/a01391_source.html">Go·to·the·source·code·of·this·file.</a></p> 
90 <table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
92 Classes</h2></td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d6f/a03374.html">BALL::PreciseTime</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html">BALL::TimeStamp</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
99 Namespaces</h2></td></tr> 
100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table><table·class="memberdecls"> 
103 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
104 Functions</h2></td></tr> 
105 <tr·class="memitem:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"·id="r_a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a2a0e1ece7f67bf8b86c9f1a0ca181bb3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../d4/d6f/a03374.html">PreciseTime</a>·&amp;time)</td></tr> 
106 <tr·class="separator:a2a0e1ece7f67bf8b86c9f1a0ca181bb3"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 <tr·class="memitem:a40f3d0c6777e34237c35600cbdeb6330"·id="r_a40f3d0c6777e34237c35600cbdeb6330"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a40f3d0c6777e34237c35600cbdeb6330">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;os,·const·<a·class="el"·href="../../dd/dbb/a03378.html">TimeStamp</a>·&amp;stamp)</td></tr> 
108 <tr·class="separator:a40f3d0c6777e34237c35600cbdeb6330"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
109 </table> 
110 </div><!--·contents·-->74 </div><!--·contents·-->
111 <!--·start·footer·part·-->75 <!--·start·footer·part·-->
112 <hr·class="footer"/><address·class="footer"><small>76 <hr·class="footer"/><address·class="footer"><small>
113 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d54/a05339.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d54/a05339.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::AtomTypes:</div>83 Inheritance·diagram·for·BALL::AtomTypes:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dc/dbc/a05342.png"·usemap="#BALL::AtomTypes_map"·alt=""/>86 ··<img·src="../../dc/dbc/a05342.png"·usemap="#BALL::AtomTypes_map"·alt=""/>
87 ··<map·id="BALL::AtomTypes_map"·name="BALL::AtomTypes_map">87 ··<map·id="BALL::AtomTypes_map"·name="BALL::AtomTypes_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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190 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>190 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
191 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>191 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
192 </table>192 </table>
193 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>193 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
194 <div·class="textblock"><p>Force·Field·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Type·Class.</p>194 <div·class="textblock"><p>Force·Field·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·Type·Class.</p>
195 <p>Molecular·Mechanics·Parameter:·class·describing·the·atom·type·section·of·a·parameter·file.·</p>195 <p>Molecular·Mechanics·Parameter:·class·describing·the·atom·type·section·of·a·parameter·file.·</p>
  
196 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">atomTypes.h</a>.</p>196 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">atomTypes.h</a>.</p>
197 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>197 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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199 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b0b04c5f100a3271cf8e3de84c2e9f3">&#9670;&#160;</a></span>AtomTypes()·<span·class="overload">[1/2]</span></h2>199 <h2·class="memtitle"><span·class="permalink"><a·href="#a6b0b04c5f100a3271cf8e3de84c2e9f3">&#9670;&#160;</a></span>AtomTypes()·<span·class="overload">[1/2]</span></h2>
  
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461 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>461 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
462 ··</tr>462 ··</tr>
463 </table>463 </table>
464 </div><div·class="memdoc">464 </div><div·class="memdoc">
  
465 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">atomTypes.h</a>.</p>465 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00111">111</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">atomTypes.h</a>.</p>
  
466 </div>466 </div>
467 </div>467 </div>
468 <a·id="a71edaad99444297f93ab647a620d886e"·name="a71edaad99444297f93ab647a620d886e"></a>468 <a·id="a71edaad99444297f93ab647a620d886e"·name="a71edaad99444297f93ab647a620d886e"></a>
469 <h2·class="memtitle"><span·class="permalink"><a·href="#a71edaad99444297f93ab647a620d886e">&#9670;&#160;</a></span>type_map_</h2>469 <h2·class="memtitle"><span·class="permalink"><a·href="#a71edaad99444297f93ab647a620d886e">&#9670;&#160;</a></span>type_map_</h2>
  
470 <div·class="memitem">470 <div·class="memitem">
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483 ··</td>483 ··</td>
484 ··<td·class="mlabels-right">484 ··<td·class="mlabels-right">
485 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>485 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
486 ··</tr>486 ··</tr>
487 </table>487 </table>
488 </div><div·class="memdoc">488 </div><div·class="memdoc">
  
489 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d34/a01679_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d2/d34/a01679_source.html">atomTypes.h</a>.</p>489 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/db6/a00146_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d9/db6/a00146_source.html">atomTypes.h</a>.</p>
  
490 </div>490 </div>
491 </div>491 </div>
492 </div><!--·contents·-->492 </div><!--·contents·-->
493 <!--·start·footer·part·-->493 <!--·start·footer·part·-->
494 <hr·class="footer"/><address·class="footer"><small>494 <hr·class="footer"/><address·class="footer"><small>
495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8495 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/d54/a07751.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d54/a07751.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeviceEvent·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DeviceEvent·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d3a/a00641_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::DeviceEvent:</div>84 Inheritance·diagram·for·BALL::VIEW::DeviceEvent:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/dbf/a07754.png"·usemap="#BALL::VIEW::DeviceEvent_map"·alt=""/>87 ··<img·src="../../dc/dbf/a07754.png"·usemap="#BALL::VIEW::DeviceEvent_map"·alt=""/>
88 ··<map·id="BALL::VIEW::DeviceEvent_map"·name="BALL::VIEW::DeviceEvent_map">88 ··<map·id="BALL::VIEW::DeviceEvent_map"·name="BALL::VIEW::DeviceEvent_map">
89 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="342,0,560,24"/>89 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="342,0,560,24"/>
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101 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>102 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
103 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock">106 <div·class="textblock">
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d3a/a00641_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../db/d3a/a00641_source.html">deviceEvent.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df4/a01322_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d5/df4/a01322_source.html">deviceEvent.h</a>.</p>
108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
109 <a·id="ad4a190d3316f5f7ff80708e371d57fac"·name="ad4a190d3316f5f7ff80708e371d57fac"></a>109 <a·id="ad4a190d3316f5f7ff80708e371d57fac"·name="ad4a190d3316f5f7ff80708e371d57fac"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4a190d3316f5f7ff80708e371d57fac">&#9670;&#160;</a></span>DeviceEvent()</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4a190d3316f5f7ff80708e371d57fac">&#9670;&#160;</a></span>DeviceEvent()</h2>
  
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113 ······<table·class="memname">113 ······<table·class="memname">
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154 ··</td>154 ··</td>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
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79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/dc6/a00347_source.html">BALL/QSAR/svrModel.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d1f/a01364_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d52/a00221_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>82 <code>#include·&lt;fstream&gt;</code><br·/>
 83 <code>#include·&lt;svm.h&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../dc/dc9/a00389_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/dc9/a00389_source.html">Go·to·the·source·code·of·this·file.</a></p>
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79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::AtomNames_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HybridisationProcessor::AtomNames_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d12/a01799_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d27/a01763_source.html">BALL/STRUCTURE/hybridisationProcessor.h</a>&gt;</code></p>
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94 <tr·class="memdesc:a9c6dce2c9b8cedc914232336712e2164"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Third·atom.··<br·/></td></tr>94 <tr·class="memdesc:a9c6dce2c9b8cedc914232336712e2164"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Third·atom.··<br·/></td></tr>
95 <tr·class="separator:a9c6dce2c9b8cedc914232336712e2164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:a9c6dce2c9b8cedc914232336712e2164"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table>96 </table>
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99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>99 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00185">185</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
100 </div><h2·class="groupheader">Member·Data·Documentation</h2>100 </div><h2·class="groupheader">Member·Data·Documentation</h2>
101 <a·id="a00d166f1ec2a73a993ba3b80aa75bdc3"·name="a00d166f1ec2a73a993ba3b80aa75bdc3"></a>101 <a·id="a00d166f1ec2a73a993ba3b80aa75bdc3"·name="a00d166f1ec2a73a993ba3b80aa75bdc3"></a>
102 <h2·class="memtitle"><span·class="permalink"><a·href="#a00d166f1ec2a73a993ba3b80aa75bdc3">&#9670;&#160;</a></span>a1</h2>102 <h2·class="memtitle"><span·class="permalink"><a·href="#a00d166f1ec2a73a993ba3b80aa75bdc3">&#9670;&#160;</a></span>a1</h2>
  
103 <div·class="memitem">103 <div·class="memitem">
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110 ········</tr>110 ········</tr>
111 ······</table>111 ······</table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p>First·atom.·</p>113 <p>First·atom.·</p>
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00188">188</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
115 </div>115 </div>
116 </div>116 </div>
117 <a·id="a5fa13985f937df26a3bc8599fef2c050"·name="a5fa13985f937df26a3bc8599fef2c050"></a>117 <a·id="a5fa13985f937df26a3bc8599fef2c050"·name="a5fa13985f937df26a3bc8599fef2c050"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fa13985f937df26a3bc8599fef2c050">&#9670;&#160;</a></span>a2</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a5fa13985f937df26a3bc8599fef2c050">&#9670;&#160;</a></span>a2</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
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128 ········</tr>128 ········</tr>
129 ······</table>129 ······</table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p>Second·atom.·</p>131 <p>Second·atom.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00190">190</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
133 </div>133 </div>
134 </div>134 </div>
135 <a·id="a9c6dce2c9b8cedc914232336712e2164"·name="a9c6dce2c9b8cedc914232336712e2164"></a>135 <a·id="a9c6dce2c9b8cedc914232336712e2164"·name="a9c6dce2c9b8cedc914232336712e2164"></a>
136 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c6dce2c9b8cedc914232336712e2164">&#9670;&#160;</a></span>a3</h2>136 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c6dce2c9b8cedc914232336712e2164">&#9670;&#160;</a></span>a3</h2>
  
137 <div·class="memitem">137 <div·class="memitem">
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146 ········</tr>146 ········</tr>
147 ······</table>147 ······</table>
148 </div><div·class="memdoc">148 </div><div·class="memdoc">
  
149 <p>Third·atom.·</p>149 <p>Third·atom.·</p>
  
150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d12/a01799_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../d5/d12/a01799_source.html">hybridisationProcessor.h</a>.</p>150 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d27/a01763_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../d9/d27/a01763_source.html">hybridisationProcessor.h</a>.</p>
  
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">line3.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">networking.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;boost/asio.hpp&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QThread&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../dc/dce/a00740_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dc/dce/a00740_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">87 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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66 </div>66 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">strangLBFGS.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">colorByGridProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/dc6/a01502_source.html">BALL/MOLMEC/MINIMIZATION/energyMinimizer.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/d96/a01517_source.html">BALL/VIEW/MODELS/colorProcessor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d06/a01499_source.html">BALL/MOLMEC/MINIMIZATION/lineSearch.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/de4/a01346_source.html">BALL/VIEW/DATATYPE/colorMap.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../dc/dce/a01505_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/dce/a01505_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
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98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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102 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::BinaryFingerprintMethods·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BinaryFingerprintMethods·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>This·class·provides·efficient·similarity·calculation·functionality·for·2D·binary·fingerprints.··82 <p>This·class·provides·efficient·similarity·calculation·functionality·for·2D·binary·fingerprints.··
83 ·<a·href="../../dc/dce/a06658.html#details">More...</a></p>83 ·<a·href="../../dc/dce/a06658.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d7/d62/a01805_source.html">BALL/STRUCTURE/binaryFingerprintMethods.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d1/da7/a01709_source.html">BALL/STRUCTURE/binaryFingerprintMethods.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>87 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9c/a06666.html">Default</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d9c/a06666.html">Default</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da1/a06662.html">Option</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da1/a06662.html">Option</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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154 For·a·set·of·input·molecules·the·Medoid·is·calculated.·The·medoid·is·the·molecule·with·the·highest·averaged·similarity·to·all·other·molecules.·Additionally,·the·method·returns·the·averaged·pairwise·similarities·for·every·molecule·in·the·input·set.·<br··/>154 For·a·set·of·input·molecules·the·Medoid·is·calculated.·The·medoid·is·the·molecule·with·the·highest·averaged·similarity·to·all·other·molecules.·Additionally,·the·method·returns·the·averaged·pairwise·similarities·for·every·molecule·in·the·input·set.·<br··/>
155 ·<br··/>155 ·<br··/>
156 Citations:<br··/>156 Citations:<br··/>
157 Clustering·Algorithms:·F.·Murtagh,·Compstat·Lectures·vol.·4,·1985,·Physica-Verlag·Würzburg-Wien.·(Volume·titel:·Multidimensional·clustering·algorithms).·<br··/>157 Clustering·Algorithms:·F.·Murtagh,·Compstat·Lectures·vol.·4,·1985,·Physica-Verlag·Würzburg-Wien.·(Volume·titel:·Multidimensional·clustering·algorithms).·<br··/>
158 Similarity·Update:·G.·Lance·and·W.·Williams,·Comput·J.·(1967),·9,·373-380.·(doi:·10.1093/comjnl/9.4.373).<br··/>158 Similarity·Update:·G.·Lance·and·W.·Williams,·Comput·J.·(1967),·9,·373-380.·(doi:·10.1093/comjnl/9.4.373).<br··/>
159 Cutoff·Selection:·L.A.·Kelley,·S.P.·Gardner·and·M.J.·Sutcliffe,·Protein·Eng.·(1996),·9,·1063-1065.·(doi:·10.1093/protein/9.11.1063).·</p>159 Cutoff·Selection:·L.A.·Kelley,·S.P.·Gardner·and·M.J.·Sutcliffe,·Protein·Eng.·(1996),·9,·1063-1065.·(doi:·10.1093/protein/9.11.1063).·</p>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d62/a01805_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d7/d62/a01805_source.html">binaryFingerprintMethods.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da7/a01709_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d1/da7/a01709_source.html">binaryFingerprintMethods.h</a>.</p>
161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
162 <a·id="aa58273788c4db3fdcea29a5c18059819"·name="aa58273788c4db3fdcea29a5c18059819"></a>162 <a·id="aa58273788c4db3fdcea29a5c18059819"·name="aa58273788c4db3fdcea29a5c18059819"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#aa58273788c4db3fdcea29a5c18059819">&#9670;&#160;</a></span>BinaryFingerprintMethods()·<span·class="overload">[1/5]</span></h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#aa58273788c4db3fdcea29a5c18059819">&#9670;&#160;</a></span>BinaryFingerprintMethods()·<span·class="overload">[1/5]</span></h2>
  
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78 <a·href="../../dc/d4e/a05331.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d4e/a05331.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94Torsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94Torsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/MOLMEC/MMFF94/MMFF94Torsion.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/MOLMEC/MMFF94/MMFF94Torsion.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::MMFF94Torsion:</div>84 Inheritance·diagram·for·BALL::MMFF94Torsion:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/dcf/a05334.png"·usemap="#BALL::MMFF94Torsion_map"·alt=""/>87 ··<img·src="../../dc/dcf/a05334.png"·usemap="#BALL::MMFF94Torsion_map"·alt=""/>
88 ··<map·id="BALL::MMFF94Torsion_map"·name="BALL::MMFF94Torsion_map">88 ··<map·id="BALL::MMFF94Torsion_map"·name="BALL::MMFF94Torsion_map">
89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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248 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>249 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
250 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>250 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
251 </table>251 </table>
252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
253 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>253 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·bond·stretch·component·</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">MMFF94Torsion.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
256 <a·id="a2fdeb773dd5330d8dd6fdc6b88043635"·name="a2fdeb773dd5330d8dd6fdc6b88043635"></a>256 <a·id="a2fdeb773dd5330d8dd6fdc6b88043635"·name="a2fdeb773dd5330d8dd6fdc6b88043635"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fdeb773dd5330d8dd6fdc6b88043635">&#9670;&#160;</a></span>MMFF94Torsion()·<span·class="overload">[1/3]</span></h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#a2fdeb773dd5330d8dd6fdc6b88043635">&#9670;&#160;</a></span>MMFF94Torsion()·<span·class="overload">[1/3]</span></h2>
  
258 <div·class="memitem">258 <div·class="memitem">
259 <div·class="memproto">259 <div·class="memproto">
260 ······<table·class="memname">260 ······<table·class="memname">
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446 ··</td>446 ··</td>
447 ··<td·class="mlabels-right">447 ··<td·class="mlabels-right">
448 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>448 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
449 ··</tr>449 ··</tr>
450 </table>450 </table>
451 </div><div·class="memdoc">451 </div><div·class="memdoc">
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">MMFF94Torsion.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00106">106</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
453 </div>453 </div>
454 </div>454 </div>
455 <a·id="a28a22e254757ffa0f8554d97802bb6c0"·name="a28a22e254757ffa0f8554d97802bb6c0"></a>455 <a·id="a28a22e254757ffa0f8554d97802bb6c0"·name="a28a22e254757ffa0f8554d97802bb6c0"></a>
456 <h2·class="memtitle"><span·class="permalink"><a·href="#a28a22e254757ffa0f8554d97802bb6c0">&#9670;&#160;</a></span>getTorsionType()</h2>456 <h2·class="memtitle"><span·class="permalink"><a·href="#a28a22e254757ffa0f8554d97802bb6c0">&#9670;&#160;</a></span>getTorsionType()</h2>
  
457 <div·class="memitem">457 <div·class="memitem">
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630 ··</td>630 ··</td>
631 ··<td·class="mlabels-right">631 ··<td·class="mlabels-right">
632 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>632 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
633 ··</tr>633 ··</tr>
634 </table>634 </table>
635 </div><div·class="memdoc">635 </div><div·class="memdoc">
  
636 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">MMFF94Torsion.h</a>.</p>636 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00120">120</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
637 </div>637 </div>
638 </div>638 </div>
639 <a·id="a34d6e89dcbc86139753f0472c764e8d4"·name="a34d6e89dcbc86139753f0472c764e8d4"></a>639 <a·id="a34d6e89dcbc86139753f0472c764e8d4"·name="a34d6e89dcbc86139753f0472c764e8d4"></a>
640 <h2·class="memtitle"><span·class="permalink"><a·href="#a34d6e89dcbc86139753f0472c764e8d4">&#9670;&#160;</a></span>torsions_</h2>640 <h2·class="memtitle"><span·class="permalink"><a·href="#a34d6e89dcbc86139753f0472c764e8d4">&#9670;&#160;</a></span>torsions_</h2>
  
641 <div·class="memitem">641 <div·class="memitem">
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654 ··</td>654 ··</td>
655 ··<td·class="mlabels-right">655 ··<td·class="mlabels-right">
656 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>656 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
657 ··</tr>657 ··</tr>
658 </table>658 </table>
659 </div><div·class="memdoc">659 </div><div·class="memdoc">
  
660 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">MMFF94Torsion.h</a>.</p>660 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">MMFF94Torsion.h</a>.</p>
  
661 </div>661 </div>
662 </div>662 </div>
663 </div><!--·contents·-->663 </div><!--·contents·-->
664 <!--·start·footer·part·-->664 <!--·start·footer·part·-->
665 <hr·class="footer"/><address·class="footer"><small>665 <hr·class="footer"/><address·class="footer"><small>
666 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8666 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/dd8/a04495.html">List·of·all·members</a>··</div>78 <a·href="../../db/dd8/a04495.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ChainIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ChainIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/dc8/a00581_source.html">BALL/KERNEL/chainIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ChainIteratorTraits:</div>84 Inheritance·diagram·for·BALL::ChainIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/dd0/a04498.png"·usemap="#BALL::ChainIteratorTraits_map"·alt=""/>87 ··<img·src="../../dc/dd0/a04498.png"·usemap="#BALL::ChainIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::ChainIteratorTraits_map"·name="BALL::ChainIteratorTraits_map">88 ··<map·id="BALL::ChainIteratorTraits_map"·name="BALL::ChainIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p>Traits·class·for·the·various·ChainIterators.</p>196 <div·class="textblock"><p>Traits·class·for·the·various·ChainIterators.</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d49/a00863_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d49/a00863_source.html">chainIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dc8/a00581_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d8/dc8/a00581_source.html">chainIterator.h</a>.</p>
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79 </div><!--header-->80 </div><!--header-->
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82 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../db/d77/a00683_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>
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79 </div><!--header-->79 </div><!--header-->
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81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d1c/a01229_source.html">BALL/FORMAT/JCAMPFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d09/a00077_source.html">BALL/DATATYPE/regularData1D.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_minimizationDialog.h&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../dc/dd9/a01268_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/dd9/a01268_source.html">Go·to·the·source·code·of·this·file.</a></p>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d5c/a03838.html">BALL::Bruker1DFile</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/da6/a07642.html">BALL::VIEW::MinimizationDialog</a></td></tr>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
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78 ··<div·class="headertitle"><div·class="title">GAMESSLogFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">inputDeviceDriver.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;QtCore/QMutex&gt;</code><br·/>
82 <code>#include·&lt;BALL/STRUCTURE/QMBasisSet.h&gt;</code><br·/> 
83 <code>#include·&lt;BALL/STRUCTURE/splitValenceSet.h&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../dc/dd9/a01328_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/dd9/a01328_source.html">Go·to·the·source·code·of·this·file.</a></p>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#friends">Friends</a>·&#124;78 <a·href="#friends">Friends</a>·&#124;
79 <a·href="../../d1/d7b/a03639.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d7b/a03639.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PharmacophoreConstraint·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PharmacophoreConstraint·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::PharmacophoreConstraint:</div>85 Inheritance·diagram·for·BALL::PharmacophoreConstraint:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dc/dd9/a03642.png"·usemap="#BALL::PharmacophoreConstraint_map"·alt=""/>88 ··<img·src="../../dc/dd9/a03642.png"·usemap="#BALL::PharmacophoreConstraint_map"·alt=""/>
89 ··<map·id="BALL::PharmacophoreConstraint_map"·name="BALL::PharmacophoreConstraint_map">89 ··<map·id="BALL::PharmacophoreConstraint_map"·name="BALL::PharmacophoreConstraint_map">
90 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,196,24"/>90 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,196,24"/>
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151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p><a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·allow·to·define·specific·intermolecular·interactions·that·should·exist·between·receptor·and·ligand.<br··/>153 <div·class="textblock"><p><a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·allow·to·define·specific·intermolecular·interactions·that·should·exist·between·receptor·and·ligand.<br··/>
154 If·those·interactions·do·not·exist·or·are·too·weak·(i.e.·have·a·score·that·is·not·good·enough),·a·penalty·score·is·calculated·and·used·by·<a·class="el"·href="../../d0/d64/a06166.html#a733d7ea8406e94082a708699e713eeb9">ScoringFunction::updateScore()</a>·if·this·<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·has·been·added·to·<a·class="el"·href="../../d0/d64/a06166.html#a3d0f39c50799112015bc203a735a9f73">ScoringFunction::constraints</a>.<br··/>154 If·those·interactions·do·not·exist·or·are·too·weak·(i.e.·have·a·score·that·is·not·good·enough),·a·penalty·score·is·calculated·and·used·by·<a·class="el"·href="../../d0/d64/a06166.html#a733d7ea8406e94082a708699e713eeb9">ScoringFunction::updateScore()</a>·if·this·<a·class="el"·href="../../dc/dd9/a03642.html">PharmacophoreConstraint</a>·has·been·added·to·<a·class="el"·href="../../d0/d64/a06166.html#a3d0f39c50799112015bc203a735a9f73">ScoringFunction::constraints</a>.<br··/>
155 In·order·to·be·able·to·evaluate·the·ligand's·interactions·with·the·specified·atoms,·the·pairwise·interactions·have·to·be·stored.·Use·<a·class="el"·href="../../d0/d64/a06166.html#a72db80453ce17b92438d25b3c63bc7d3">ScoringFunction::enableStoreInteractions()</a>·to·allow·this.·</p>155 In·order·to·be·able·to·evaluate·the·ligand's·interactions·with·the·specified·atoms,·the·pairwise·interactions·have·to·be·stored.·Use·<a·class="el"·href="../../d0/d64/a06166.html#a72db80453ce17b92438d25b3c63bc7d3">ScoringFunction::enableStoreInteractions()</a>·to·allow·this.·</p>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00144">144</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
158 <a·id="a900749fe823098b4695cfb2d75aee182"·name="a900749fe823098b4695cfb2d75aee182"></a>158 <a·id="a900749fe823098b4695cfb2d75aee182"·name="a900749fe823098b4695cfb2d75aee182"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a900749fe823098b4695cfb2d75aee182">&#9670;&#160;</a></span>PharmacophoreConstraint()·<span·class="overload">[1/4]</span></h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a900749fe823098b4695cfb2d75aee182">&#9670;&#160;</a></span>PharmacophoreConstraint()·<span·class="overload">[1/4]</span></h2>
  
160 <div·class="memitem">160 <div·class="memitem">
161 <div·class="memproto">161 <div·class="memproto">
162 ······<table·class="memname">162 ······<table·class="memname">
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474 ··</td>474 ··</td>
475 ··<td·class="mlabels-right">475 ··<td·class="mlabels-right">
476 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>476 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
477 ··</tr>477 ··</tr>
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480 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>480 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00193">193</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
481 </div>481 </div>
482 </div>482 </div>
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484 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&#160;</a></span>BALL::VIEW::DockRLDialog</h2>484 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&#160;</a></span>BALL::VIEW::DockRLDialog</h2>
  
485 <div·class="memitem">485 <div·class="memitem">
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498 ··</td>498 ··</td>
499 ··<td·class="mlabels-right">499 ··<td·class="mlabels-right">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON063·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON063·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a59af5cf20fc5ce67d889df8dcf92cc5f"·id="r_a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a59af5cf20fc5ce67d889df8dcf92cc5f">clear</a>·()</td></tr>87 <tr·class="memitem:a59af5cf20fc5ce67d889df8dcf92cc5f"·id="r_a59af5cf20fc5ce67d889df8dcf92cc5f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#a59af5cf20fc5ce67d889df8dcf92cc5f">clear</a>·()</td></tr>
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99 <tr·class="memitem:ac4bf729ca61629737d1b40b86f56400f"·id="r_ac4bf729ca61629737d1b40b86f56400f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#ac4bf729ca61629737d1b40b86f56400f">bond_atom</a>·[2]</td></tr>99 <tr·class="memitem:ac4bf729ca61629737d1b40b86f56400f"·id="r_ac4bf729ca61629737d1b40b86f56400f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a04146.html#ac4bf729ca61629737d1b40b86f56400f">bond_atom</a>·[2]</td></tr>
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101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00529">529</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00529">529</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
105 </div><h2·class="groupheader">Member·Function·Documentation</h2>105 </div><h2·class="groupheader">Member·Function·Documentation</h2>
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107 <h2·class="memtitle"><span·class="permalink"><a·href="#a59af5cf20fc5ce67d889df8dcf92cc5f">&#9670;&#160;</a></span>clear()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a59af5cf20fc5ce67d889df8dcf92cc5f">&#9670;&#160;</a></span>clear()</h2>
  
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128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00536">536</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00536">536</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
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141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::atom_serial_number</td>141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON063::atom_serial_number</td>
142 ········</tr>142 ········</tr>
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146 </div>146 </div>
147 </div>147 </div>
148 <a·id="ac4bf729ca61629737d1b40b86f56400f"·name="ac4bf729ca61629737d1b40b86f56400f"></a>148 <a·id="ac4bf729ca61629737d1b40b86f56400f"·name="ac4bf729ca61629737d1b40b86f56400f"></a>
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159 ······</table>159 ······</table>
160 </div><div·class="memdoc">160 </div><div·class="memdoc">
  
161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00534">534</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00534">534</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
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177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00532">532</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00532">532</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
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181 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7ebd6284389067f8d7d7dcecf1677d9">&#9670;&#160;</a></span>record_type</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7ebd6284389067f8d7d7dcecf1677d9">&#9670;&#160;</a></span>record_type</h2>
  
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189 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON063::record_type</td>189 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordCON063::record_type</td>
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195 </div>195 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../df/daa/a05167.html">List·of·all·members</a>··</div>78 <a·href="../../df/daa/a05167.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ConjugateGradientMinimizer::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/dde/a01496_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/df3/a00185_source.html">BALL/MOLMEC/MINIMIZATION/conjugateGradient.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a8d575fa616fd729f40e4c5490ac5e24d"·id="r_a8d575fa616fd729f40e4c5490ac5e24d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a05170.html#a8d575fa616fd729f40e4c5490ac5e24d">UPDATE_METHOD</a></td></tr>86 <tr·class="memitem:a8d575fa616fd729f40e4c5490ac5e24d"·id="r_a8d575fa616fd729f40e4c5490ac5e24d"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ddd/a05170.html#a8d575fa616fd729f40e4c5490ac5e24d">UPDATE_METHOD</a></td></tr>
87 <tr·class="separator:a8d575fa616fd729f40e4c5490ac5e24d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a8d575fa616fd729f40e4c5490ac5e24d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·names·</p>90 <div·class="textblock"><p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·names·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">conjugateGradient.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">conjugateGradient.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a8d575fa616fd729f40e4c5490ac5e24d"·name="a8d575fa616fd729f40e4c5490ac5e24d"></a>93 <a·id="a8d575fa616fd729f40e4c5490ac5e24d"·name="a8d575fa616fd729f40e4c5490ac5e24d"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d575fa616fd729f40e4c5490ac5e24d">&#9670;&#160;</a></span>UPDATE_METHOD</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a8d575fa616fd729f40e4c5490ac5e24d">&#9670;&#160;</a></span>UPDATE_METHOD</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p>The·initial·step·length·used·in·the·line·search·</p>114 <p>The·initial·step·length·used·in·the·line·search·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dde/a01496_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d1/dde/a01496_source.html">conjugateGradient.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df3/a00185_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../de/df3/a00185_source.html">conjugateGradient.h</a>.</p>
  
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117 </div>117 </div>
118 </div><!--·contents·-->118 </div><!--·contents·-->
119 <!--·start·footer·part·-->119 <!--·start·footer·part·-->
120 <hr·class="footer"/><address·class="footer"><small>120 <hr·class="footer"/><address·class="footer"><small>
121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8121 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d00/a03323.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d00/a03323.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PreferencesObject·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d85/a01436_source.html">BALL/CONCEPT/preferencesObject.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d4c/a00851_source.html">BALL/CONCEPT/preferencesObject.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::PreferencesObject:</div>84 Inheritance·diagram·for·BALL::PreferencesObject:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/de3/a03326.png"·usemap="#BALL::PreferencesObject_map"·alt=""/>87 ··<img·src="../../dc/de3/a03326.png"·usemap="#BALL::PreferencesObject_map"·alt=""/>
88 ··<map·id="BALL::PreferencesObject_map"·name="BALL::PreferencesObject_map">88 ··<map·id="BALL::PreferencesObject_map"·name="BALL::PreferencesObject_map">
89 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../dc/d45/a20003.html"·alt="QObject"·shape="rect"·coords="0,0,156,24"/>
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105 <tr·class="separator:a0c1f30a996e77e9eab8117b21694a9a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:a0c1f30a996e77e9eab8117b21694a9a1"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>107 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
108 <div·class="textblock"><p>Base·class·for·objects·that·can·store·settings·in·an·<a·class="el"·href="../../d1/d59/a03926.html">INIFile</a>.·To·support·storing·of·a·classes'·state·to·an·<a·class="el"·href="../../d1/d59/a03926.html">INIFile</a>,·derive·from·this·class·and·implement·the·getValue/setValue-methods.</p>108 <div·class="textblock"><p>Base·class·for·objects·that·can·store·settings·in·an·<a·class="el"·href="../../d1/d59/a03926.html">INIFile</a>.·To·support·storing·of·a·classes'·state·to·an·<a·class="el"·href="../../d1/d59/a03926.html">INIFile</a>,·derive·from·this·class·and·implement·the·getValue/setValue-methods.</p>
109 <p>Note·that·a·more·sophisticated·and·simpler·to·use·scheme·for·storing·state·that·is·accessible·through·GUI·elements,·e.g.,·LineEdits,·already·exists·in·libVIEW.·Use·this·class·if·you·want/need·to·be·independent·of·the·view·functionality,·or·if·the·elements·supported·by·<a·class="el"·href="../../dc/d3d/a07926.html">VIEW::PreferencesEntry</a>·do·not·suffice.</p>109 <p>Note·that·a·more·sophisticated·and·simpler·to·use·scheme·for·storing·state·that·is·accessible·through·GUI·elements,·e.g.,·LineEdits,·already·exists·in·libVIEW.·Use·this·class·if·you·want/need·to·be·independent·of·the·view·functionality,·or·if·the·elements·supported·by·<a·class="el"·href="../../dc/d3d/a07926.html">VIEW::PreferencesEntry</a>·do·not·suffice.</p>
110 <p>Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p>110 <p>Make·sure·to·name·all·derived·objects,·by·calling·setObjectName()·Otherwise·(re-)storing·the·values·wont·work.·</p>
  
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">preferencesObject.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a302af63dc3bca94d25354bddf0172a8b"·name="a302af63dc3bca94d25354bddf0172a8b"></a>113 <a·id="a302af63dc3bca94d25354bddf0172a8b"·name="a302af63dc3bca94d25354bddf0172a8b"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a302af63dc3bca94d25354bddf0172a8b">&#9670;&#160;</a></span>PreferencesObject()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a302af63dc3bca94d25354bddf0172a8b">&#9670;&#160;</a></span>PreferencesObject()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 <table·class="mlabels">117 <table·class="mlabels">
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130 ··</td>130 ··</td>
131 ··<td·class="mlabels-right">131 ··<td·class="mlabels-right">
132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>132 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
133 ··</tr>133 ··</tr>
134 </table>134 </table>
135 </div><div·class="memdoc">135 </div><div·class="memdoc">
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">preferencesObject.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
139 <a·id="a9391001c74bf7a37319c24e094614cfa"·name="a9391001c74bf7a37319c24e094614cfa"></a>139 <a·id="a9391001c74bf7a37319c24e094614cfa"·name="a9391001c74bf7a37319c24e094614cfa"></a>
140 <h2·class="memtitle"><span·class="permalink"><a·href="#a9391001c74bf7a37319c24e094614cfa">&#9670;&#160;</a></span>~PreferencesObject()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#a9391001c74bf7a37319c24e094614cfa">&#9670;&#160;</a></span>~PreferencesObject()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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157 ··</td>157 ··</td>
158 ··<td·class="mlabels-right">158 ··<td·class="mlabels-right">
159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>159 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
160 ··</tr>160 ··</tr>
161 </table>161 </table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">preferencesObject.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d4c/a00851_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../df/d4c/a00851_source.html">preferencesObject.h</a>.</p>
  
164 </div>164 </div>
165 </div>165 </div>
166 <h2·class="groupheader">Member·Function·Documentation</h2>166 <h2·class="groupheader">Member·Function·Documentation</h2>
167 <a·id="a62197f2dde4ee3f4aa20280e47b72278"·name="a62197f2dde4ee3f4aa20280e47b72278"></a>167 <a·id="a62197f2dde4ee3f4aa20280e47b72278"·name="a62197f2dde4ee3f4aa20280e47b72278"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#a62197f2dde4ee3f4aa20280e47b72278">&#9670;&#160;</a></span>getValue()</h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#a62197f2dde4ee3f4aa20280e47b72278">&#9670;&#160;</a></span>getValue()</h2>
  
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8 <title>BALL:·format.h·File·Reference</title>8 <title>BALL:·list.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
75 ··<div·class="headertitle"><div·class="title">format.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">list.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/FORMAT/PDBFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../d3/d0b/a01253_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/d0e/a00800_source.html">BALL/CONCEPT/visitor.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d4/d22/a01250_source.html">BALL/FORMAT/resourceFile.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;list&gt;</code><br·/>
83 </div>85 </div>
84 <p><a·href="../../dc/de4/a00677_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dc/de4/a00677_source.html">Go·to·the·source·code·of·this·file.</a></p>
 87 <table·class="memberdecls">
 88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 89 Classes</h2></td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d76/a03554.html">BALL::List&lt;·Value·&gt;</a></td></tr>
 91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 94 Namespaces</h2></td></tr>
 95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 </table>
85 </div><!--·contents·-->98 </div><!--·contents·-->
86 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
87 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
88 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li><li·class="navelem"><a·class="el"·href="../../dir_44c71f2b1d1d8faff5c132b93515fa86.html">MODES</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rotateMode.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">cosineTorsion.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/dd9/a00179_source.html">BALL/VIEW/KERNEL/MODES/interactionMode.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/db6/a00146_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../dc/de6/a00167_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/de6/a00167_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/ded/a05374.html">BALL::CosineTorsion::SingleData</a></td></tr>
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94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::StretchComponent·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::StretchComponent·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd2/a01604_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/MOLMEC/COMMON/stretchComponent.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::StretchComponent:</div>84 Inheritance·diagram·for·BALL::StretchComponent:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/de6/a05126.png"·usemap="#BALL::StretchComponent_map"·alt=""/>87 ··<img·src="../../dc/de6/a05126.png"·usemap="#BALL::StretchComponent_map"·alt=""/>
88 ··<map·id="BALL::StretchComponent_map"·name="BALL::StretchComponent_map">88 ··<map·id="BALL::StretchComponent_map"·name="BALL::StretchComponent_map">
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233 <div·class="textblock"><p>A·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>·component·implementing·the·harmonic·potential·used·by·Amber·and·CHARMM·</p>233 <div·class="textblock"><p>A·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>·component·implementing·the·harmonic·potential·used·by·Amber·and·CHARMM·</p>
  
234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd2/a01604_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/dd2/a01604_source.html">stretchComponent.h</a>.</p>234 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
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237 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb">&#9670;&#160;</a></span>StretchComponent()·<span·class="overload">[1/2]</span></h2>237 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e6c6ec3e0b0c1e7f9dc958cbc25a7bb">&#9670;&#160;</a></span>StretchComponent()·<span·class="overload">[1/2]</span></h2>
  
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381 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd2/a01604_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../dc/dd2/a01604_source.html">stretchComponent.h</a>.</p>381 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00075">75</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
  
382 </div>382 </div>
383 </div>383 </div>
384 <a·id="a3cfa4589b44799b1eda4c97e5eeefbba"·name="a3cfa4589b44799b1eda4c97e5eeefbba"></a>384 <a·id="a3cfa4589b44799b1eda4c97e5eeefbba"·name="a3cfa4589b44799b1eda4c97e5eeefbba"></a>
385 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4589b44799b1eda4c97e5eeefbba">&#9670;&#160;</a></span>stretch_parameters_</h2>385 <h2·class="memtitle"><span·class="permalink"><a·href="#a3cfa4589b44799b1eda4c97e5eeefbba">&#9670;&#160;</a></span>stretch_parameters_</h2>
  
386 <div·class="memitem">386 <div·class="memitem">
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399 ··</td>399 ··</td>
400 ··<td·class="mlabels-right">400 ··<td·class="mlabels-right">
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405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd2/a01604_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../dc/dd2/a01604_source.html">stretchComponent.h</a>.</p>405 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00079">79</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">stretchComponent.h</a>.</p>
  
406 </div>406 </div>
407 </div>407 </div>
408 </div><!--·contents·-->408 </div><!--·contents·-->
409 <!--·start·footer·part·-->409 <!--·start·footer·part·-->
410 <hr·class="footer"/><address·class="footer"><small>410 <hr·class="footer"/><address·class="footer"><small>
411 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8411 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="../../de/d9c/a04551.html">List·of·all·members</a>··</div>78 <a·href="../../de/d9c/a04551.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::NucleicAcidIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/KERNEL/nucleicAcidIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d60/a00491_source.html">BALL/KERNEL/nucleicAcidIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::NucleicAcidIteratorTraits:</div>84 Inheritance·diagram·for·BALL::NucleicAcidIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dc/ded/a04554.png"·usemap="#BALL::NucleicAcidIteratorTraits_map"·alt=""/>87 ··<img·src="../../dc/ded/a04554.png"·usemap="#BALL::NucleicAcidIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::NucleicAcidIteratorTraits_map"·name="BALL::NucleicAcidIteratorTraits_map">88 ··<map·id="BALL::NucleicAcidIteratorTraits_map"·name="BALL::NucleicAcidIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,189,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,189,24"/>
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194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p><a·class="el"·href="../../dc/ded/a04554.html">NucleicAcidIteratorTraits</a>·</p>196 <div·class="textblock"><p><a·class="el"·href="../../dc/ded/a04554.html">NucleicAcidIteratorTraits</a>·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">nucleicAcidIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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201 <div·class="memitem">201 <div·class="memitem">
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216 ··</td>216 ··</td>
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218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">nucleicAcidIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00039">39</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
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224 </div>224 </div>
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226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4e2ae978faa3c52cc111b290f22208d">&#9670;&#160;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad4e2ae978faa3c52cc111b290f22208d">&#9670;&#160;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
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246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
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250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">nucleicAcidIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="a52574444890eeb1ec474f1c70e13d8ad"·name="a52574444890eeb1ec474f1c70e13d8ad"></a>253 <a·id="a52574444890eeb1ec474f1c70e13d8ad"·name="a52574444890eeb1ec474f1c70e13d8ad"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#a52574444890eeb1ec474f1c70e13d8ad">&#9670;&#160;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#a52574444890eeb1ec474f1c70e13d8ad">&#9670;&#160;</a></span>NucleicAcidIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
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282 ··</td>282 ··</td>
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284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
285 ··</tr>285 ··</tr>
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288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">nucleicAcidIterator.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <h2·class="groupheader">Member·Function·Documentation</h2>291 <h2·class="groupheader">Member·Function·Documentation</h2>
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293 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f3c17324faee0d2de4909a1c8f9301f">&#9670;&#160;</a></span>operator=()</h2>293 <h2·class="memtitle"><span·class="permalink"><a·href="#a3f3c17324faee0d2de4909a1c8f9301f">&#9670;&#160;</a></span>operator=()</h2>
  
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311 ··</td>311 ··</td>
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313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
  
317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dcf/a00845_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d7/dcf/a00845_source.html">nucleicAcidIterator.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d60/a00491_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d6/d60/a00491_source.html">nucleicAcidIterator.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
320 <a·id="a4ce339ca6af13a572f3d259686361189"·name="a4ce339ca6af13a572f3d259686361189"></a>320 <a·id="a4ce339ca6af13a572f3d259686361189"·name="a4ce339ca6af13a572f3d259686361189"></a>
321 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ce339ca6af13a572f3d259686361189">&#9670;&#160;</a></span>resetPredicate()</h2>321 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ce339ca6af13a572f3d259686361189">&#9670;&#160;</a></span>resetPredicate()</h2>
  
322 <div·class="memitem">322 <div·class="memitem">
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338 ··</td>338 ··</td>
339 ··<td·class="mlabels-right">339 ··<td·class="mlabels-right">
340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_8cdbfb4bef7508ff4809ac8ed890f379.html">CHARMM</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#define-members">Macros</a>··</div>
78 ··<div·class="headertitle"><div·class="title">claverieParameter.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">charmmBend.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d89/a00071_source.html">BALL/MOLMEC/COMMON/bendComponent.h</a>&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../dc/dee/a00053_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dc/dee/a00053_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 </table><table·class="memberdecls">
 97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 98 Macros</h2></td></tr>
 99 <tr·class="memitem:a4275754c252b216c209a5f5954771248"·id="r_a4275754c252b216c209a5f5954771248"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dee/a00053.html#a4275754c252b216c209a5f5954771248">CHARMM_BENDS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Bends&quot;</td></tr>
 100 <tr·class="memdesc:a4275754c252b216c209a5f5954771248"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·BENDS··<br·/></td></tr>
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96 </table>102 </table>
 103 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 104 <a·id="a4275754c252b216c209a5f5954771248"·name="a4275754c252b216c209a5f5954771248"></a>
 105 <h2·class="memtitle"><span·class="permalink"><a·href="#a4275754c252b216c209a5f5954771248">&#9670;&#160;</a></span>CHARMM_BENDS_ENABLED</h2>
  
 106 <div·class="memitem">
 107 <div·class="memproto">
 108 ······<table·class="memname">
 109 ········<tr>
 110 ··········<td·class="memname">#define·CHARMM_BENDS_ENABLED&#160;&#160;&#160;&quot;enable·Bends&quot;</td>
 111 ········</tr>
 112 ······</table>
 113 </div><div·class="memdoc">
  
 114 <p>flag·to·enable·BENDS·</p>
  
 115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a00053_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../dc/dee/a00053_source.html">charmmBend.h</a>.</p>
  
 116 </div>
 117 </div>
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79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidOption·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::InvalidOption·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.··82 <p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.··
83 ·<a·href="../../dc/df0/a03146.html#details">More...</a></p>83 ·<a·href="../../dc/df0/a03146.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::Exception::InvalidOption:</div>86 Inheritance·diagram·for·BALL::Exception::InvalidOption:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../dc/df0/a03146.png"·usemap="#BALL::Exception::InvalidOption_map"·alt=""/>89 ··<img·src="../../dc/df0/a03146.png"·usemap="#BALL::Exception::InvalidOption_map"·alt=""/>
90 ··<map·id="BALL::Exception::InvalidOption_map"·name="BALL::Exception::InvalidOption_map">90 ··<map·id="BALL::Exception::InvalidOption_map"·name="BALL::Exception::InvalidOption_map">
91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>91 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>142 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>143 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
144 </table>144 </table>
145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>145 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.·</p>146 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·an·invalid·option·is·given.·</p>
  
147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>147 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00418">418</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>148 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
149 <a·id="a38e516fbe53a43ba68b4788ab3b86877"·name="a38e516fbe53a43ba68b4788ab3b86877"></a>149 <a·id="a38e516fbe53a43ba68b4788ab3b86877"·name="a38e516fbe53a43ba68b4788ab3b86877"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a38e516fbe53a43ba68b4788ab3b86877">&#9670;&#160;</a></span>InvalidOption()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a38e516fbe53a43ba68b4788ab3b86877">&#9670;&#160;</a></span>InvalidOption()</h2>
  
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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66 </div>66 </div>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_fdd4deb6e7660eceda5e61c32b248f16.html">PLUGIN</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_52a4bffbb942fe992d286b640b8d4d08.html">XRAY</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">VIEWPlugin.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">crystalGenerator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtCore/QString&gt;</code><br·/> 
83 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../da/d46/a00665_source.html">BALL/XRAY/crystalInfo.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/MATHS/box3.h</a>&gt;</code><br·/>
85 </div>88 </div>
86 <p><a·href="../../dc/df1/a00662_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../dc/df1/a00662_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">90 <table·class="memberdecls">
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90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d80/a08150.html">BALL::VIEW::ConfigDialog</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a08574.html">BALL::CrystalGenerator</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dd5/a08154.html">BALL::VIEW::VIEWPlugin</a></td></tr>97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d14/a08582.html">BALL::CrystalGenerator::Default</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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102 </div><!--·contents·-->105 </div><!--·contents·-->
103 <!--·start·footer·part·-->106 <!--·start·footer·part·-->
104 <hr·class="footer"/><address·class="footer"><small>107 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../d4/db3/a06755.html">List·of·all·members</a>··</div>80 <a·href="../../d4/db3/a06755.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPTable_·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::FPTBondOrderStrategy::DPTable_·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8e/a01694_source.html">BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
87 Public·Types</h2></td></tr>87 Public·Types</h2></td></tr>
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120 Protected·Attributes</h2></td></tr>120 Protected·Attributes</h2></td></tr>
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122 <tr·class="separator:ae8504968c20feec685828deca73895e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:ae8504968c20feec685828deca73895e3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock"><p>The·dynamic·programming·table.·Each·nice·tree·decomposition·bag·has·it's·own·dynamic·programming·table.·They·are·computed·either·from·leaf-nodes,·by·forgetting·or·introducing·entries·from·ancestor-tables·in·forget/introduce·nodes·or·by·merging·two·tables·into·one·in·join-nodes.·The·rows·in·this·table·are·different·possible·bond·assignments·for·the·molecule·graph.·It's·columns·are·the·consumed·valences·of·the·bag's·atoms·and·bond·values·of·the·bag's·bonds.·</p>125 <div·class="textblock"><p>The·dynamic·programming·table.·Each·nice·tree·decomposition·bag·has·it's·own·dynamic·programming·table.·They·are·computed·either·from·leaf-nodes,·by·forgetting·or·introducing·entries·from·ancestor-tables·in·forget/introduce·nodes·or·by·merging·two·tables·into·one·in·join-nodes.·The·rows·in·this·table·are·different·possible·bond·assignments·for·the·molecule·graph.·It's·columns·are·the·consumed·valences·of·the·bag's·atoms·and·bond·values·of·the·bag's·bonds.·</p>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00350">350</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00350">350</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
127 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>127 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
128 <a·id="af7c226e09257f9b89092180cf7f3ff89"·name="af7c226e09257f9b89092180cf7f3ff89"></a>128 <a·id="af7c226e09257f9b89092180cf7f3ff89"·name="af7c226e09257f9b89092180cf7f3ff89"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c226e09257f9b89092180cf7f3ff89">&#9670;&#160;</a></span>const_iterator</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#af7c226e09257f9b89092180cf7f3ff89">&#9670;&#160;</a></span>const_iterator</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
132 ······<table·class="memname">132 ······<table·class="memname">
133 ········<tr>133 ········<tr>
134 ··········<td·class="memname">typedef·DPMap_::const_iterator·<a·class="el"·href="../../dc/df1/a06758.html#af7c226e09257f9b89092180cf7f3ff89">BALL::FPTBondOrderStrategy::DPTable_::const_iterator</a></td>134 ··········<td·class="memname">typedef·DPMap_::const_iterator·<a·class="el"·href="../../dc/df1/a06758.html#af7c226e09257f9b89092180cf7f3ff89">BALL::FPTBondOrderStrategy::DPTable_::const_iterator</a></td>
135 ········</tr>135 ········</tr>
136 ······</table>136 ······</table>
137 </div><div·class="memdoc">137 </div><div·class="memdoc">
138 <p>constant·iterator·above·the·table·entries·</p>138 <p>constant·iterator·above·the·table·entries·</p>
  
139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00378">378</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
140 </div>140 </div>
141 </div>141 </div>
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143 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eaab27c6265a81e0124e46000e10c9b">&#9670;&#160;</a></span>iterator</h2>143 <h2·class="memtitle"><span·class="permalink"><a·href="#a3eaab27c6265a81e0124e46000e10c9b">&#9670;&#160;</a></span>iterator</h2>
  
144 <div·class="memitem">144 <div·class="memitem">
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152 ········<tr>152 ········<tr>
153 ··········<td·class="memname">typedef·DPMap_::iterator·<a·class="el"·href="../../dc/df1/a06758.html#a3eaab27c6265a81e0124e46000e10c9b">BALL::FPTBondOrderStrategy::DPTable_::iterator</a></td>153 ··········<td·class="memname">typedef·DPMap_::iterator·<a·class="el"·href="../../dc/df1/a06758.html#a3eaab27c6265a81e0124e46000e10c9b">BALL::FPTBondOrderStrategy::DPTable_::iterator</a></td>
154 ········</tr>154 ········</tr>
155 ······</table>155 ······</table>
156 </div><div·class="memdoc">156 </div><div·class="memdoc">
157 <p>iterator·above·the·table·entries·</p>157 <p>iterator·above·the·table·entries·</p>
  
158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00373">373</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>158 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00373">373</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
159 </div>159 </div>
160 </div>160 </div>
161 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>161 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
162 <a·id="a877e3fc5a61b8e2f1ec9b0b17b9089f8"·name="a877e3fc5a61b8e2f1ec9b0b17b9089f8"></a>162 <a·id="a877e3fc5a61b8e2f1ec9b0b17b9089f8"·name="a877e3fc5a61b8e2f1ec9b0b17b9089f8"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#a877e3fc5a61b8e2f1ec9b0b17b9089f8">&#9670;&#160;</a></span>DPTable_()·<span·class="overload">[1/2]</span></h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#a877e3fc5a61b8e2f1ec9b0b17b9089f8">&#9670;&#160;</a></span>DPTable_()·<span·class="overload">[1/2]</span></h2>
  
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396 ··<td·class="mlabels-right">396 ··<td·class="mlabels-right">
397 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>397 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
398 ··</tr>398 ··</tr>
399 </table>399 </table>
400 </div><div·class="memdoc">400 </div><div·class="memdoc">
401 <p>the·table·data·is·represented·as·a·tree·map,·because·this·allow·fast·inserting·of·DPConfigs·and·removing·duplicates·with·greater·penalty.·</p>401 <p>the·table·data·is·represented·as·a·tree·map,·because·this·allow·fast·inserting·of·DPConfigs·and·removing·duplicates·with·greater·penalty.·</p>
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">FPTBondOrderStrategy.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8e/a01694_source.html#l00357">357</a>·of·file·<a·class="el"·href="../../d4/d8e/a01694_source.html">FPTBondOrderStrategy.h</a>.</p>
  
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_c8e27d334dbf29715d417e80ae19bc06.html">PLUGIN</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#func-members">Functions</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fakeDriver.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALLPlugin.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d8e/a00647_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QString&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/>
 85 <code>#include·&lt;QtCore/QVariant&gt;</code><br·/>
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83 <p><a·href="../../dc/df2/a00656_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dc/df2/a00656_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">88 <table·class="memberdecls">
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94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>98 </table><table·class="memberdecls">
 99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 100 Functions</h2></td></tr>
 101 <tr·class="memitem:ab59f10b6bfc2a745fa0875314c2efd8c"·id="r_ab59f10b6bfc2a745fa0875314c2efd8c"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
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96 </table>104 </table>
 105 <h2·class="groupheader">Function·Documentation</h2>
 106 <a·id="ab59f10b6bfc2a745fa0875314c2efd8c"·name="ab59f10b6bfc2a745fa0875314c2efd8c"></a>
 107 <h2·class="memtitle"><span·class="permalink"><a·href="#ab59f10b6bfc2a745fa0875314c2efd8c">&#9670;&#160;</a></span>qobject_cast()</h2>
  
 108 <div·class="memitem">
 109 <div·class="memproto">
 110 <div·class="memtemplate">
 111 template&lt;typename·T·&gt;·</div>
 112 ······<table·class="memname">
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 114 ··········<td·class="memname">T·qobject_cast·</td>
 115 ··········<td>(</td>
 116 ··········<td·class="paramtype"><a·class="el"·href="../../d1/d22/a05546.html">BALL::BALLPlugin</a>·*&#160;</td>
 117 ··········<td·class="paramname"><em>plugin</em></td><td>)</td>
 118 ··········<td></td>
 119 ········</tr>
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97 </div><!--·contents·-->125 </div><!--·contents·-->
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">materialSettings.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">expression.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d6a/a00704_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/def/a00521_source.html">BALL/KERNEL/expressionParser.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_materialSettings.h&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QLabel&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../dc/df9/a00554_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dc/df9/a00554_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7b/a07638.html">BALL::VIEW::MaterialSettings</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dba/a04502.html">BALL::Expression</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
100 </table>95 </table>
101 </div><!--·contents·-->96 </div><!--·contents·-->
102 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
103 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d8/d73/a03799.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d73/a03799.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GeometricFit::Peak_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GeometricFit::Peak_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d10/a01103_source.html">BALL/DOCKING/geometricFit.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d0c/a01532_source.html">BALL/DOCKING/geometricFit.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:abfaf415e952e2b5f37e07e5363dfe5ac"·id="r_abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#abfaf415e952e2b5f37e07e5363dfe5ac">Peak_</a>·()</td></tr>87 <tr·class="memitem:abfaf415e952e2b5f37e07e5363dfe5ac"·id="r_abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#abfaf415e952e2b5f37e07e5363dfe5ac">Peak_</a>·()</td></tr>
88 <tr·class="separator:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:abfaf415e952e2b5f37e07e5363dfe5ac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:adb012cc15eecc96273af615a253237ad"·id="r_adb012cc15eecc96273af615a253237ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#adb012cc15eecc96273af615a253237ad">~Peak_</a>·()</td></tr>89 <tr·class="memitem:adb012cc15eecc96273af615a253237ad"·id="r_adb012cc15eecc96273af615a253237ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#adb012cc15eecc96273af615a253237ad">~Peak_</a>·()</td></tr>
90 <tr·class="separator:adb012cc15eecc96273af615a253237ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:adb012cc15eecc96273af615a253237ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 <tr·class="separator:a6d0f62b3c5ec6a9a48a9c1dcca0c345f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a6d0f62b3c5ec6a9a48a9c1dcca0c345f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:a9219991e47030e84b6b315e7fcc3e22e"·id="r_a9219991e47030e84b6b315e7fcc3e22e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#a9219991e47030e84b6b315e7fcc3e22e">translation</a></td></tr>101 <tr·class="memitem:a9219991e47030e84b6b315e7fcc3e22e"·id="r_a9219991e47030e84b6b315e7fcc3e22e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a03802.html#a9219991e47030e84b6b315e7fcc3e22e">translation</a></td></tr>
102 <tr·class="separator:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a9219991e47030e84b6b315e7fcc3e22e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>nested·class·<a·class="el"·href="../../dc/dfc/a03802.html">Peak_</a>·This·class·is·needed·for·an·efficient·handling·of·all·peaks·corresponding·to·one·orientation·in·a·multiset·</p>105 <div·class="textblock"><p>nested·class·<a·class="el"·href="../../dc/dfc/a03802.html">Peak_</a>·This·class·is·needed·for·an·efficient·handling·of·all·peaks·corresponding·to·one·orientation·in·a·multiset·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">geometricFit.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="abfaf415e952e2b5f37e07e5363dfe5ac"·name="abfaf415e952e2b5f37e07e5363dfe5ac"></a>108 <a·id="abfaf415e952e2b5f37e07e5363dfe5ac"·name="abfaf415e952e2b5f37e07e5363dfe5ac"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#abfaf415e952e2b5f37e07e5363dfe5ac">&#9670;&#160;</a></span>Peak_()</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#abfaf415e952e2b5f37e07e5363dfe5ac">&#9670;&#160;</a></span>Peak_()</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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169 ········<tr>169 ········<tr>
170 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::orientation</td>170 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::orientation</td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
  
174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">geometricFit.h</a>.</p>174 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00196">196</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
175 </div>175 </div>
176 </div>176 </div>
177 <a·id="a9219991e47030e84b6b315e7fcc3e22e"·name="a9219991e47030e84b6b315e7fcc3e22e"></a>177 <a·id="a9219991e47030e84b6b315e7fcc3e22e"·name="a9219991e47030e84b6b315e7fcc3e22e"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#a9219991e47030e84b6b315e7fcc3e22e">&#9670;&#160;</a></span>translation</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#a9219991e47030e84b6b315e7fcc3e22e">&#9670;&#160;</a></span>translation</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
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184 ······<table·class="memname">184 ······<table·class="memname">
185 ········<tr>185 ········<tr>
186 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::translation</td>186 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#aa9fccf5a468c02f8dc3cd89925e7affd">Vector3</a>·BALL::GeometricFit::Peak_::translation</td>
187 ········</tr>187 ········</tr>
188 ······</table>188 ······</table>
189 </div><div·class="memdoc">189 </div><div·class="memdoc">
  
190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">geometricFit.h</a>.</p>190 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00197">197</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
191 </div>191 </div>
192 </div>192 </div>
193 <a·id="a25b65974d05fd27df0764c1897f64c70"·name="a25b65974d05fd27df0764c1897f64c70"></a>193 <a·id="a25b65974d05fd27df0764c1897f64c70"·name="a25b65974d05fd27df0764c1897f64c70"></a>
194 <h2·class="memtitle"><span·class="permalink"><a·href="#a25b65974d05fd27df0764c1897f64c70">&#9670;&#160;</a></span>value</h2>194 <h2·class="memtitle"><span·class="permalink"><a·href="#a25b65974d05fd27df0764c1897f64c70">&#9670;&#160;</a></span>value</h2>
  
195 <div·class="memitem">195 <div·class="memitem">
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201 ········<tr>201 ········<tr>
202 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::GeometricFit::Peak_::value</td>202 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::GeometricFit::Peak_::value</td>
203 ········</tr>203 ········</tr>
204 ······</table>204 ······</table>
205 </div><div·class="memdoc">205 </div><div·class="memdoc">
  
206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d10/a01103_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../d9/d10/a01103_source.html">geometricFit.h</a>.</p>206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d0c/a01532_source.html#l00195">195</a>·of·file·<a·class="el"·href="../../dc/d0c/a01532_source.html">geometricFit.h</a>.</p>
  
207 </div>207 </div>
208 </div>208 </div>
209 </div><!--·contents·-->209 </div><!--·contents·-->
210 <!--·start·footer·part·-->210 <!--·start·footer·part·-->
211 <hr·class="footer"/><address·class="footer"><small>211 <hr·class="footer"/><address·class="footer"><small>
212 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8212 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/d83/a07023.html">List·of·all·members</a>··</div>77 <a·href="../../d2/d83/a07023.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RadialDistributionFunction·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RadialDistributionFunction·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d31/a01811_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructor.</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructor.</div></td></tr>
86 <tr·class="memitem:adf8f495a15440e58ec5d49b388da6482"·id="r_adf8f495a15440e58ec5d49b388da6482"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#adf8f495a15440e58ec5d49b388da6482">RadialDistributionFunction</a>·()</td></tr>86 <tr·class="memitem:adf8f495a15440e58ec5d49b388da6482"·id="r_adf8f495a15440e58ec5d49b388da6482"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#adf8f495a15440e58ec5d49b388da6482">RadialDistributionFunction</a>·()</td></tr>
87 <tr·class="separator:adf8f495a15440e58ec5d49b388da6482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:adf8f495a15440e58ec5d49b388da6482"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a9ec868a95bab34fd33088f7d1b6b9bf2"·id="r_a9ec868a95bab34fd33088f7d1b6b9bf2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a9ec868a95bab34fd33088f7d1b6b9bf2">RadialDistributionFunction</a>·(const·<a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>·&amp;rdf)</td></tr>88 <tr·class="memitem:a9ec868a95bab34fd33088f7d1b6b9bf2"·id="r_a9ec868a95bab34fd33088f7d1b6b9bf2"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a9ec868a95bab34fd33088f7d1b6b9bf2">RadialDistributionFunction</a>·(const·<a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>·&amp;rdf)</td></tr>
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120 <tr·class="separator:a22b612ee35516609b1fa82e549560b7f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>120 <tr·class="separator:a22b612ee35516609b1fa82e549560b7f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
121 <tr·class="memitem:a3f3fa2256aaa2e75ef7d435ec1014ef5"·id="r_a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a3f3fa2256aaa2e75ef7d435ec1014ef5">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>121 <tr·class="memitem:a3f3fa2256aaa2e75ef7d435ec1014ef5"·id="r_a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dfc/a07026.html#a3f3fa2256aaa2e75ef7d435ec1014ef5">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
122 <tr·class="separator:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>122 <tr·class="separator:a3f3fa2256aaa2e75ef7d435ec1014ef5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
123 </table>123 </table>
124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>124 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
125 <div·class="textblock"><p>Radial·distribution·function.·This·class·provides·an·interface·for·the·use·of·radial·distribution·functions.·These·functions·describe·the·deviation·of·the·number·density·in·a·real·fluid·from·the·ideal·(isotropic)·case.·The·representation·of·such·a·function·is·a·piecewise·polynomial·obtained·by·smoothing·spline·fit·from·molecular·dynamics·simulation.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>125 <div·class="textblock"><p>Radial·distribution·function.·This·class·provides·an·interface·for·the·use·of·radial·distribution·functions.·These·functions·describe·the·deviation·of·the·number·density·in·a·real·fluid·from·the·ideal·(isotropic)·case.·The·representation·of·such·a·function·is·a·piecewise·polynomial·obtained·by·smoothing·spline·fit·from·molecular·dynamics·simulation.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dce/a01859_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d3/dce/a01859_source.html">radialDistributionFunction.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>127 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
128 <a·id="adf8f495a15440e58ec5d49b388da6482"·name="adf8f495a15440e58ec5d49b388da6482"></a>128 <a·id="adf8f495a15440e58ec5d49b388da6482"·name="adf8f495a15440e58ec5d49b388da6482"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#adf8f495a15440e58ec5d49b388da6482">&#9670;&#160;</a></span>RadialDistributionFunction()·<span·class="overload">[1/3]</span></h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#adf8f495a15440e58ec5d49b388da6482">&#9670;&#160;</a></span>RadialDistributionFunction()·<span·class="overload">[1/3]</span></h2>
  
130 <div·class="memitem">130 <div·class="memitem">
131 <div·class="memproto">131 <div·class="memproto">
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448 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>448 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
449 ··</tr>449 ··</tr>
450 </table>450 </table>
451 </div><div·class="memdoc">451 </div><div·class="memdoc">
  
452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dce/a01859_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d3/dce/a01859_source.html">radialDistributionFunction.h</a>.</p>452 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
  
453 </div>453 </div>
454 </div>454 </div>
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456 <h2·class="memtitle"><span·class="permalink"><a·href="#af6559ab02c5facfac19c046901b95a70">&#9670;&#160;</a></span>valid_</h2>456 <h2·class="memtitle"><span·class="permalink"><a·href="#af6559ab02c5facfac19c046901b95a70">&#9670;&#160;</a></span>valid_</h2>
  
457 <div·class="memitem">457 <div·class="memitem">
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470 ··</td>470 ··</td>
471 ··<td·class="mlabels-right">471 ··<td·class="mlabels-right">
472 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>472 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
473 ··</tr>473 ··</tr>
474 </table>474 </table>
475 </div><div·class="memdoc">475 </div><div·class="memdoc">
  
476 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dce/a01859_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d3/dce/a01859_source.html">radialDistributionFunction.h</a>.</p>476 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d31/a01811_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d2/d31/a01811_source.html">radialDistributionFunction.h</a>.</p>
  
477 </div>477 </div>
478 </div>478 </div>
479 </div><!--·contents·-->479 </div><!--·contents·-->
480 <!--·start·footer·part·-->480 <!--·start·footer·part·-->
481 <hr·class="footer"/><address·class="footer"><small>481 <hr·class="footer"/><address·class="footer"><small>
482 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8482 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;79 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
80 <a·href="#friends">Friends</a>·&#124;80 <a·href="#friends">Friends</a>·&#124;
81 <a·href="../../dd/daa/a06683.html">List·of·all·members</a>··</div>81 <a·href="../../dd/daa/a06683.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::BindingPocketProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::BindingPocketProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/da6/a02192.html">Miscellaneous</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../db/d09/a01838_source.html">BALL/STRUCTURE/bindingPocketProcessor.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../dc/d3e/a01712_source.html">BALL/STRUCTURE/bindingPocketProcessor.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::BindingPocketProcessor:</div>87 Inheritance·diagram·for·BALL::BindingPocketProcessor:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../dd/d02/a06686.png"·usemap="#BALL::BindingPocketProcessor_map"·alt=""/>90 ··<img·src="../../dd/d02/a06686.png"·usemap="#BALL::BindingPocketProcessor_map"·alt=""/>
91 ··<map·id="BALL::BindingPocketProcessor_map"·name="BALL::BindingPocketProcessor_map">91 ··<map·id="BALL::BindingPocketProcessor_map"·name="BALL::BindingPocketProcessor_map">
92 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>92 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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158 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>159 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
160 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>160 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
161 </table>161 </table>
162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>162 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
163 <div·class="textblock"><p>This·processor·searches·for·binding·pockets·in·a·given·atom·container.·The·pockets·are·detected·with·the·PASS·method·(Fast·Feature·Selection·Using·Fractal·Dimension·(2000)·Caetano·Traina,·Jr.,·Agma·Traina,·et·al)·</p>163 <div·class="textblock"><p>This·processor·searches·for·binding·pockets·in·a·given·atom·container.·The·pockets·are·detected·with·the·PASS·method·(Fast·Feature·Selection·Using·Fractal·Dimension·(2000)·Caetano·Traina,·Jr.,·Agma·Traina,·et·al)·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d09/a01838_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../db/d09/a01838_source.html">bindingPocketProcessor.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
165 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>165 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
166 <a·id="a436b7ba7e6847a9446489c583d2b6e6b"·name="a436b7ba7e6847a9446489c583d2b6e6b"></a>166 <a·id="a436b7ba7e6847a9446489c583d2b6e6b"·name="a436b7ba7e6847a9446489c583d2b6e6b"></a>
167 <h2·class="memtitle"><span·class="permalink"><a·href="#a436b7ba7e6847a9446489c583d2b6e6b">&#9670;&#160;</a></span>BindingPocketProcessor()·<span·class="overload">[1/3]</span></h2>167 <h2·class="memtitle"><span·class="permalink"><a·href="#a436b7ba7e6847a9446489c583d2b6e6b">&#9670;&#160;</a></span>BindingPocketProcessor()·<span·class="overload">[1/3]</span></h2>
  
168 <div·class="memitem">168 <div·class="memitem">
169 <div·class="memproto">169 <div·class="memproto">
170 ······<table·class="memname">170 ······<table·class="memname">
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392 ··<td·class="mlabels-right">392 ··<td·class="mlabels-right">
393 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>393 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
394 ··</tr>394 ··</tr>
395 </table>395 </table>
396 </div><div·class="memdoc">396 </div><div·class="memdoc">
397 <p>output·operator·for·Sphere·TODO:·implement!·</p>397 <p>output·operator·for·Sphere·TODO:·implement!·</p>
  
398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d09/a01838_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../db/d09/a01838_source.html">bindingPocketProcessor.h</a>.</p>398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
  
399 </div>399 </div>
400 </div>400 </div>
401 <h2·class="groupheader">Member·Data·Documentation</h2>401 <h2·class="groupheader">Member·Data·Documentation</h2>
402 <a·id="a7a973806f41409b82ceb6c290d52c807"·name="a7a973806f41409b82ceb6c290d52c807"></a>402 <a·id="a7a973806f41409b82ceb6c290d52c807"·name="a7a973806f41409b82ceb6c290d52c807"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a973806f41409b82ceb6c290d52c807">&#9670;&#160;</a></span>options</h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a7a973806f41409b82ceb6c290d52c807">&#9670;&#160;</a></span>options</h2>
  
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410 ········<tr>410 ········<tr>
411 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::BindingPocketProcessor::options</td>411 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::BindingPocketProcessor::options</td>
412 ········</tr>412 ········</tr>
413 ······</table>413 ······</table>
414 </div><div·class="memdoc">414 </div><div·class="memdoc">
415 <p>options·for·BALLPass·</p>415 <p>options·for·BALLPass·</p>
  
416 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d09/a01838_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../db/d09/a01838_source.html">bindingPocketProcessor.h</a>.</p>416 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d3e/a01712_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../dc/d3e/a01712_source.html">bindingPocketProcessor.h</a>.</p>
  
417 </div>417 </div>
418 </div>418 </div>
419 </div><!--·contents·-->419 </div><!--·contents·-->
420 <!--·start·footer·part·-->420 <!--·start·footer·part·-->
421 <hr·class="footer"/><address·class="footer"><small>421 <hr·class="footer"/><address·class="footer"><small>
422 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8422 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d8/dd8/a06575.html">List·of·all·members</a>··</div>78 <a·href="../../d8/dd8/a06575.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FDPB::ChargeDistribution·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FDPB::ChargeDistribution·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d2e/a00056_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
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116 <p>Charge·distribution·method·Trilinear:·charge·is·distributed·over·the·eight·nearest·gridpoints.·</p>116 <p>Charge·distribution·method·Trilinear:·charge·is·distributed·over·the·eight·nearest·gridpoints.·</p>
  
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121 <h2·class="memtitle"><span·class="permalink"><a·href="#ac91e10d3b595ded396f28b0adc3efa8d">&#9670;&#160;</a></span>UNIFORM</h2>121 <h2·class="memtitle"><span·class="permalink"><a·href="#ac91e10d3b595ded396f28b0adc3efa8d">&#9670;&#160;</a></span>UNIFORM</h2>
  
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140 </div><div·class="memdoc">140 </div><div·class="memdoc">
141 <p>Charge·distribution·method·Uniform:·charge·is·distributed·over·all·gridpoints·inside·the·atom·radius.·</p>141 <p>Charge·distribution·method·Uniform:·charge·is·distributed·over·all·gridpoints·inside·the·atom·radius.·</p>
  
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80 </div><!--header-->79 </div><!--header-->
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85 <p><a·href="../../dd/d08/a00884_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dd/d08/a00884_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
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105 <tr·class="memitem:a4f4b8a35d2d5a1d91c14a75aac91e4fe"·id="r_a4f4b8a35d2d5a1d91c14a75aac91e4fe"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#ae442fd73b69546db2a3114bbb55cdafe">ResidueConstIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a4f4b8a35d2d5a1d91c14a75aac91e4fe">BALL::ResidueConstReverseIterator</a></td></tr> 
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66 </div>66 </div>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li><li·class="navelem"><a·class="el"·href="../../dir_63800ef38c29322dc72b2a63f41a2424.html">RENDERERS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">objectCreator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">VRMLRenderer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d6f/a01445_source.html">BALL/VIEW/RENDERING/RENDERERS/renderer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d9b/a01379_source.html">BALL/CONCEPT/persistentObject.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../db/d78/a01427_source.html">BALL/CONCEPT/textPersistenceManager.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SYSTEM/networking.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
85 <code>#include·&lt;vector&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
86 </div>85 </div>
87 <p><a·href="../../dd/d08/a01448_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d08/a01448_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">87 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html">BALL::ObjectCreator</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dc4/a08318.html">BALL::VIEW::VRMLRenderer</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>99 </table>
99 </div><!--·contents·-->100 </div><!--·contents·-->
100 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">charmmEEF1.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">AStarBondOrderStrategy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;queue&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../dd/d08/a01682_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dd/d08/a01682_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>90 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d30/a05346.html">BALL::CharmmEEF1</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a06706.html">BALL::AStarBondOrderStrategy</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d24/a05350.html">BALL::CharmmEEF1::Values</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/dee/a06710.html">BALL::AStarBondOrderStrategy::Option</a></td></tr>
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/da3/a05354.html">BALL::CharmmEEF1::Data</a></td></tr>96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html">BALL::AStarBondOrderStrategy::Default</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d66/a06718.html">BALL::AStarBondOrderStrategy::Heuristic</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">100 </table><table·class="memberdecls">
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96 Namespaces</h2></td></tr>102 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../df/db7/a05715.html">List·of·all·members</a>··</div>77 <a·href="../../df/db7/a05715.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::FeatureSelection·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::FeatureSelection·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/QSAR/featureSelection.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d34/a00476_source.html">BALL/QSAR/featureSelection.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
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87 <tr·class="separator:a7636137476872cedfd9df81097a5e691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a7636137476872cedfd9df81097a5e691"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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115 <tr·class="memitem:a3d52af5a33fc3beddb7c07b92a196689"·id="r_a3d52af5a33fc3beddb7c07b92a196689"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a3d52af5a33fc3beddb7c07b92a196689">selectStat</a>·(int·s)</td></tr>115 <tr·class="memitem:a3d52af5a33fc3beddb7c07b92a196689"·id="r_a3d52af5a33fc3beddb7c07b92a196689"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d08/a05718.html#a3d52af5a33fc3beddb7c07b92a196689">selectStat</a>·(int·s)</td></tr>
116 <tr·class="separator:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memSeparator"·colspan="2">&#160;</td></tr>116 <tr·class="separator:a3d52af5a33fc3beddb7c07b92a196689"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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118 <tr·class="separator:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:ae17638e2c1bae53542c97f122b59fc7d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock">121 <div·class="textblock">
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">featureSelection.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d34/a00476_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d9/d34/a00476_source.html">featureSelection.h</a>.</p>
123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
124 <a·id="a7636137476872cedfd9df81097a5e691"·name="a7636137476872cedfd9df81097a5e691"></a>124 <a·id="a7636137476872cedfd9df81097a5e691"·name="a7636137476872cedfd9df81097a5e691"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#a7636137476872cedfd9df81097a5e691">&#9670;&#160;</a></span>FeatureSelection()·<span·class="overload">[1/2]</span></h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#a7636137476872cedfd9df81097a5e691">&#9670;&#160;</a></span>FeatureSelection()·<span·class="overload">[1/2]</span></h2>
  
126 <div·class="memitem">126 <div·class="memitem">
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65 </div>65 </div>
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rotateBonds.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">textEditorWidget.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QPlainTextEdit&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d9/d25/a01157_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;vector&gt;</code><br·/>84 <code>#include·&lt;QObject&gt;</code><br·/>
87 </div>85 </div>
88 <p><a·href="../../dd/d09/a01118_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d09/a01118_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d8a/a08570.html">BALL::VIEW::TextEditorWidget::LineNumbers</a></td></tr>
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96 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d8/d4f/a05411.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d4f/a05411.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Data·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticAngleBend::Data·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d71/a01664_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/db8/a00158_source.html">BALL/MOLMEC/PARAMETER/quadraticAngleBend.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a32dbcb054491907a70a0fe615f02f11a"·id="r_a32dbcb054491907a70a0fe615f02f11a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d15/a05414.html#a32dbcb054491907a70a0fe615f02f11a">atom1</a></td></tr>86 <tr·class="memitem:a32dbcb054491907a70a0fe615f02f11a"·id="r_a32dbcb054491907a70a0fe615f02f11a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d15/a05414.html#a32dbcb054491907a70a0fe615f02f11a">atom1</a></td></tr>
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91 <tr·class="separator:a41631768d2725f9a65616a1449f011df"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a41631768d2725f9a65616a1449f011df"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a0362ff236015f79e7e335462fb3955c4"·id="r_a0362ff236015f79e7e335462fb3955c4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d53/a05410.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d15/a05414.html#a0362ff236015f79e7e335462fb3955c4">values</a></td></tr>92 <tr·class="memitem:a0362ff236015f79e7e335462fb3955c4"·id="r_a0362ff236015f79e7e335462fb3955c4"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d53/a05410.html">Values</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d15/a05414.html#a0362ff236015f79e7e335462fb3955c4">values</a></td></tr>
93 <tr·class="separator:a0362ff236015f79e7e335462fb3955c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a0362ff236015f79e7e335462fb3955c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="a32dbcb054491907a70a0fe615f02f11a"·name="a32dbcb054491907a70a0fe615f02f11a"></a>99 <a·id="a32dbcb054491907a70a0fe615f02f11a"·name="a32dbcb054491907a70a0fe615f02f11a"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a32dbcb054491907a70a0fe615f02f11a">&#9670;&#160;</a></span>atom1</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a32dbcb054491907a70a0fe615f02f11a">&#9670;&#160;</a></span>atom1</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 ······<table·class="memname">103 ······<table·class="memname">
104 ········<tr>104 ········<tr>
105 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom1</td>105 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom1</td>
106 ········</tr>106 ········</tr>
107 ······</table>107 ······</table>
108 </div><div·class="memdoc">108 </div><div·class="memdoc">
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
112 <a·id="ae2b3ae667e836221d2e66e5a46098ba1"·name="ae2b3ae667e836221d2e66e5a46098ba1"></a>112 <a·id="ae2b3ae667e836221d2e66e5a46098ba1"·name="ae2b3ae667e836221d2e66e5a46098ba1"></a>
113 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2b3ae667e836221d2e66e5a46098ba1">&#9670;&#160;</a></span>atom2</h2>113 <h2·class="memtitle"><span·class="permalink"><a·href="#ae2b3ae667e836221d2e66e5a46098ba1">&#9670;&#160;</a></span>atom2</h2>
  
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122 ········<tr>122 ········<tr>
123 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom2</td>123 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom2</td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="a41631768d2725f9a65616a1449f011df"·name="a41631768d2725f9a65616a1449f011df"></a>130 <a·id="a41631768d2725f9a65616a1449f011df"·name="a41631768d2725f9a65616a1449f011df"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#a41631768d2725f9a65616a1449f011df">&#9670;&#160;</a></span>atom3</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a41631768d2725f9a65616a1449f011df">&#9670;&#160;</a></span>atom3</h2>
  
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138 ········<tr>138 ········<tr>
139 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom3</td>139 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticAngleBend::Data::atom3</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="a0362ff236015f79e7e335462fb3955c4"·name="a0362ff236015f79e7e335462fb3955c4"></a>146 <a·id="a0362ff236015f79e7e335462fb3955c4"·name="a0362ff236015f79e7e335462fb3955c4"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0362ff236015f79e7e335462fb3955c4">&#9670;&#160;</a></span>values</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a0362ff236015f79e7e335462fb3955c4">&#9670;&#160;</a></span>values</h2>
  
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155 ··········<td·class="memname"><a·class="el"·href="../../d3/d53/a05410.html">Values</a>·BALL::QuadraticAngleBend::Data::values</td>155 ··········<td·class="memname"><a·class="el"·href="../../d3/d53/a05410.html">Values</a>·BALL::QuadraticAngleBend::Data::values</td>
156 ········</tr>156 ········</tr>
157 ······</table>157 ······</table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d71/a01664_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../dc/d71/a01664_source.html">quadraticAngleBend.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/db8/a00158_source.html#l00049">49</a>·of·file·<a·class="el"·href="../../d6/db8/a00158_source.html">quadraticAngleBend.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 </div><!--·contents·-->162 </div><!--·contents·-->
163 <!--·start·footer·part·-->163 <!--·start·footer·part·-->
164 <hr·class="footer"/><address·class="footer"><small>164 <hr·class="footer"/><address·class="footer"><small>
165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8165 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d12/a04659.html">List·of·all·members</a>··</div>78 <a·href="../../de/d12/a04659.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ElementPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ElementPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ElementPredicate:</div>84 Inheritance·diagram·for·BALL::ElementPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dd/d22/a04662.png"·usemap="#BALL::ElementPredicate_map"·alt=""/>87 ··<img·src="../../dd/d22/a04662.png"·usemap="#BALL::ElementPredicate_map"·alt=""/>
88 ··<map·id="BALL::ElementPredicate_map"·name="BALL::ElementPredicate_map">88 ··<map·id="BALL::ElementPredicate_map"·name="BALL::ElementPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·for·matching·elements.·Returns·<code>true</code>,·if·the·element·symbol·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>131 <div·class="textblock"><p>Predicate·for·matching·elements.·Returns·<code>true</code>,·if·the·element·symbol·of·the·atom·matches·exactly·the·argument·of·this·predicate.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a226bb6c347d9f38ade5b8a5bcc968531"·name="a226bb6c347d9f38ade5b8a5bcc968531"></a>134 <a·id="a226bb6c347d9f38ade5b8a5bcc968531"·name="a226bb6c347d9f38ade5b8a5bcc968531"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a226bb6c347d9f38ade5b8a5bcc968531">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a226bb6c347d9f38ade5b8a5bcc968531">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d4/d16/a03859.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d16/a03859.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Datacontent·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::CIFFile::Datacontent·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/dad/a01235_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/FORMAT/CIFFile.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:addf73e3e1360d47495e79653c13ee2aa"·id="r_addf73e3e1360d47495e79653c13ee2aa"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#addf73e3e1360d47495e79653c13ee2aa">Datacontent</a>·()</td></tr>87 <tr·class="memitem:addf73e3e1360d47495e79653c13ee2aa"·id="r_addf73e3e1360d47495e79653c13ee2aa"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#addf73e3e1360d47495e79653c13ee2aa">Datacontent</a>·()</td></tr>
88 <tr·class="separator:addf73e3e1360d47495e79653c13ee2aa"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:addf73e3e1360d47495e79653c13ee2aa"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:aa601f75ffc698c4eb5a1b89dba129f86"·id="r_aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#aa601f75ffc698c4eb5a1b89dba129f86">Datacontent</a>·(<a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·new_saveframe)</td></tr>89 <tr·class="memitem:aa601f75ffc698c4eb5a1b89dba129f86"·id="r_aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#aa601f75ffc698c4eb5a1b89dba129f86">Datacontent</a>·(<a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·new_saveframe)</td></tr>
90 <tr·class="separator:aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:aa601f75ffc698c4eb5a1b89dba129f86"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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102 <tr·class="separator:a500582b9603088be88f4a34858c1ccac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:a500582b9603088be88f4a34858c1ccac"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:a3bfb9956a242368cfee190dadd026a3b"·id="r_a3bfb9956a242368cfee190dadd026a3b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#a3bfb9956a242368cfee190dadd026a3b">dataitem</a></td></tr>103 <tr·class="memitem:a3bfb9956a242368cfee190dadd026a3b"·id="r_a3bfb9956a242368cfee190dadd026a3b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html#a3bfb9956a242368cfee190dadd026a3b">dataitem</a></td></tr>
104 <tr·class="separator:a3bfb9956a242368cfee190dadd026a3b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>104 <tr·class="separator:a3bfb9956a242368cfee190dadd026a3b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
105 </table>105 </table>
106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>106 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
107 <div·class="textblock"><p>Nested·class·for·the·data·entity·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>107 <div·class="textblock"><p>Nested·class·for·the·data·entity·of·the·<a·class="el"·href="../../db/d2a/a03850.html">CIFFile</a>·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>109 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
110 <a·id="addf73e3e1360d47495e79653c13ee2aa"·name="addf73e3e1360d47495e79653c13ee2aa"></a>110 <a·id="addf73e3e1360d47495e79653c13ee2aa"·name="addf73e3e1360d47495e79653c13ee2aa"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#addf73e3e1360d47495e79653c13ee2aa">&#9670;&#160;</a></span>Datacontent()·<span·class="overload">[1/3]</span></h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#addf73e3e1360d47495e79653c13ee2aa">&#9670;&#160;</a></span>Datacontent()·<span·class="overload">[1/3]</span></h2>
  
112 <div·class="memitem">112 <div·class="memitem">
113 <div·class="memproto">113 <div·class="memproto">
114 ······<table·class="memname">114 ······<table·class="memname">
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191 ········<tr>191 ········<tr>
192 ··········<td·class="memname"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>·BALL::CIFFile::Datacontent::dataitem</td>192 ··········<td·class="memname"><a·class="el"·href="../../d3/d83/a03854.html">Item</a>·BALL::CIFFile::Datacontent::dataitem</td>
193 ········</tr>193 ········</tr>
194 ······</table>194 ······</table>
195 </div><div·class="memdoc">195 </div><div·class="memdoc">
196 <p>Stores·the·item·</p>196 <p>Stores·the·item·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 <a·id="a97fb53e225fc1d8cbd88d8e64ccdefe5"·name="a97fb53e225fc1d8cbd88d8e64ccdefe5"></a>200 <a·id="a97fb53e225fc1d8cbd88d8e64ccdefe5"·name="a97fb53e225fc1d8cbd88d8e64ccdefe5"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#a97fb53e225fc1d8cbd88d8e64ccdefe5">&#9670;&#160;</a></span>is_saveframe</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#a97fb53e225fc1d8cbd88d8e64ccdefe5">&#9670;&#160;</a></span>is_saveframe</h2>
  
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208 ········<tr>208 ········<tr>
209 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Datacontent::is_saveframe</td>209 ··········<td·class="memname"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>·BALL::CIFFile::Datacontent::is_saveframe</td>
210 ········</tr>210 ········</tr>
211 ······</table>211 ······</table>
212 </div><div·class="memdoc">212 </div><div·class="memdoc">
213 <p>all·data·of·a·datablock·is·either·a·saveframe·or·a·single·item·</p>213 <p>all·data·of·a·datablock·is·either·a·saveframe·or·a·single·item·</p>
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00126">126</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <a·id="a500582b9603088be88f4a34858c1ccac"·name="a500582b9603088be88f4a34858c1ccac"></a>217 <a·id="a500582b9603088be88f4a34858c1ccac"·name="a500582b9603088be88f4a34858c1ccac"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a500582b9603088be88f4a34858c1ccac">&#9670;&#160;</a></span>saveframe</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a500582b9603088be88f4a34858c1ccac">&#9670;&#160;</a></span>saveframe</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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226 ··········<td·class="memname"><a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·BALL::CIFFile::Datacontent::saveframe</td>226 ··········<td·class="memname"><a·class="el"·href="../../d0/d61/a03858.html">SaveFrame</a>·BALL::CIFFile::Datacontent::saveframe</td>
227 ········</tr>227 ········</tr>
228 ······</table>228 ······</table>
229 </div><div·class="memdoc">229 </div><div·class="memdoc">
230 <p>Stores·the·saveframe·</p>230 <p>Stores·the·saveframe·</p>
  
231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p>231 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d29/a00947_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d3/d29/a00947_source.html">CIFFile.h</a>.</p>
  
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233 </div>233 </div>
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235 <!--·start·footer·part·-->235 <!--·start·footer·part·-->
236 <hr·class="footer"/><address·class="footer"><small>236 <hr·class="footer"/><address·class="footer"><small>
237 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8237 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·lineBasedFile.h·File·Reference</title>8 <title>BALL:·assignBondOrderConfigurationDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">lineBasedFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">assignBondOrderConfigurationDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d9a/a00998_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>
82 <code>#include·&lt;vector&gt;</code><br·/> 
83 <code>#include·&lt;BALL/FORMAT/lineBasedFile.iC&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/df6/a01670_source.html">BALL/STRUCTURE/assignBondOrderProcessor.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;BALL/VIEW/UIC/ui_assignBondOrderConfigurationDialog.h&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../dd/d39/a01271_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d39/a01271_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>89 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d61/a03950.html">BALL::LineBasedFile</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d15/a07522.html">BALL::VIEW::AssignBondOrderConfigurationDialog</a></td></tr>
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93 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/d41/a05803.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d41/a05803.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RelPositivePartialCharge·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RelPositivePartialCharge·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RelPositivePartialCharge:</div>83 Inheritance·diagram·for·BALL::RelPositivePartialCharge:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/d3e/a05806.png"·usemap="#BALL::RelPositivePartialCharge_map"·alt=""/>86 ··<img·src="../../dd/d3e/a05806.png"·usemap="#BALL::RelPositivePartialCharge_map"·alt=""/>
87 ··<map·id="BALL::RelPositivePartialCharge_map"·name="BALL::RelPositivePartialCharge_map">87 ··<map·id="BALL::RelPositivePartialCharge_map"·name="BALL::RelPositivePartialCharge_map">
88 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>88 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>
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183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p>This·descriptor·returns·the·fraction·of·positive·partial·charges,·which·is·calculated·by·deviding·the·biggest·partial·charges·value·by·the·sum·of·positive·partial·charges.·</p>188 <div·class="textblock"><p>This·descriptor·returns·the·fraction·of·positive·partial·charges,·which·is·calculated·by·deviding·the·biggest·partial·charges·value·by·the·sum·of·positive·partial·charges.·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/daf/a01019_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../db/daf/a01019_source.html">partialChargeDescriptors.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00093">93</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="a3c262895b40e4cbeb5d515740fbbed17"·name="a3c262895b40e4cbeb5d515740fbbed17"></a>191 <a·id="a3c262895b40e4cbeb5d515740fbbed17"·name="a3c262895b40e4cbeb5d515740fbbed17"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c262895b40e4cbeb5d515740fbbed17">&#9670;&#160;</a></span>RelPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c262895b40e4cbeb5d515740fbbed17">&#9670;&#160;</a></span>RelPositivePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
193 <div·class="memitem">193 <div·class="memitem">
194 <div·class="memproto">194 <div·class="memproto">
195 ······<table·class="memname">195 ······<table·class="memname">
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94 ········<tr>94 ········<tr>
95 ··········<td·class="memname">typedef·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td>95 ··········<td·class="memname">typedef·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;<a·class="el"·href="../../de/ded/a09238.html">float</a>&gt;·<a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td>
96 ········</tr>96 ········</tr>
97 ······</table>97 ······</table>
98 </div><div·class="memdoc">98 </div><div·class="memdoc">
99 <p>Default·line·of·type·<b>float</b>.·</p>99 <p>Default·line·of·type·<b>float</b>.·</p>
  
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">line3.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00359">359</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">line3.h</a>.</p>
  
101 </div>101 </div>
102 </div>102 </div>
103 <h2·class="groupheader">Function·Documentation</h2>103 <h2·class="groupheader">Function·Documentation</h2>
104 <a·id="ga723eeb0a794fb25edf492bd37bf78243"·name="ga723eeb0a794fb25edf492bd37bf78243"></a>104 <a·id="ga723eeb0a794fb25edf492bd37bf78243"·name="ga723eeb0a794fb25edf492bd37bf78243"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga723eeb0a794fb25edf492bd37bf78243">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ga723eeb0a794fb25edf492bd37bf78243">&#9670;&#160;</a></span>operator&lt;&lt;()</h2>
  
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131 ······</table>131 ······</table>
132 </div><div·class="memdoc">132 </div><div·class="memdoc">
133 <p>Output·operator.·Writes·the·two·public·attributes·<code>d</code>·and·<code>p</code>·to·an·output·stream.·The·values·of·the·two·vectors·are·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>133 <p>Output·operator.·Writes·the·two·public·attributes·<code>d</code>·and·<code>p</code>·to·an·output·stream.·The·values·of·the·two·vectors·are·enclosed·in·brackets.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>
134 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1))</code>·</dd></dl>134 <dl·class="section·user"><dt></dt><dd><code>((0·0·0)·(1·2·1))</code>·</dd></dl>
135 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>135 <dl·class="section·see"><dt>See·also</dt><dd>TVector3::operator&lt;&lt;·</dd></dl>
  
136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">line3.h</a>.</p>136 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dc1/a00212_source.html#l00382">382</a>·of·file·<a·class="el"·href="../../dd/dc1/a00212_source.html">line3.h</a>.</p>
  
137 </div>137 </div>
138 </div>138 </div>
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140 <h2·class="memtitle"><span·class="permalink"><a·href="#gac5568e56795faccf490a92f96a120407">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>140 <h2·class="memtitle"><span·class="permalink"><a·href="#gac5568e56795faccf490a92f96a120407">&#9670;&#160;</a></span>operator&gt;&gt;()</h2>
  
141 <div·class="memitem">141 <div·class="memitem">
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163 ··········<td>)</td>163 ··········<td>)</td>
164 ··········<td></td><td></td>164 ··········<td></td><td></td>
165 ········</tr>165 ········</tr>
166 ······</table>166 ······</table>
167 </div><div·class="memdoc">167 </div><div·class="memdoc">
168 <p>Input·operator.·Reads·two·objcts·of·type·<b><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a></b>·from·an·<code>istream</code>·and·assigns·them·to·<code>d</code>·and·<code>p</code>.·</p>168 <p>Input·operator.·Reads·two·objcts·of·type·<b><a·class="el"·href="../../d6/d54/a04918.html">TVector3</a></b>·from·an·<code>istream</code>·and·assigns·them·to·<code>d</code>·and·<code>p</code>.·</p>
  
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">trajectoryFileFactory.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">PTEDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;BALL/VIEW/UIC/ui_PTEDialog.h&gt;</code><br·/>
 83 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../dd/d42/a01259_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/d42/a01259_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 ··<div·class="headertitle"><div·class="title">init.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modifyRepresentationDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
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 84 <code>#include·&lt;<a·class="el"·href="../../d5/d4c/a01058_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>
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 86 <code>#include·&lt;<a·class="el"·href="../../df/df7/a00731_source.html">BALL/DATATYPE/regularData3D.h</a>&gt;</code><br·/>
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 89 <code>#include·&lt;BALL/VIEW/UIC/ui_modifyRepresentationDialog.h&gt;</code><br·/>
82 </div>90 </div>
83 <p><a·href="../../dd/d43/a01193_source.html">Go·to·the·source·code·of·this·file.</a></p>91 <p><a·href="../../dd/d43/a01193_source.html">Go·to·the·source·code·of·this·file.</a></p>
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65 </div>65 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">regressionValidation.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">UIOperationMode.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dd6/a20380_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/QSAR/validation.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;iterator&gt;</code><br·/>83 <code>#include·&lt;boost/shared_ptr.hpp&gt;</code><br·/>
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86 <p><a·href="../../dd/d48/a00995_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/d48/a00995_source.html">Go·to·the·source·code·of·this·file.</a></p>
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76 ··<div·class="summary">76 ··<div·class="summary">
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79 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD::AuxFactors·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MicroCanonicalMD::AuxFactors·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/d8e/a01523_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d25/a00182_source.html">BALL/MOLMEC/MDSIMULATION/microCanonicalMD.h</a>&gt;</code></p>
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92 <div·class="textblock"><p>A·local·auxiliary·class.·</p>92 <div·class="textblock"><p>A·local·auxiliary·class.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d8e/a01523_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../db/d8e/a01523_source.html">microCanonicalMD.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
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106 </div>106 </div>
107 </div>107 </div>
108 <a·id="aa5935f2d8222f5c2ed3e981bf58367bb"·name="aa5935f2d8222f5c2ed3e981bf58367bb"></a>108 <a·id="aa5935f2d8222f5c2ed3e981bf58367bb"·name="aa5935f2d8222f5c2ed3e981bf58367bb"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5935f2d8222f5c2ed3e981bf58367bb">&#9670;&#160;</a></span>factor2</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa5935f2d8222f5c2ed3e981bf58367bb">&#9670;&#160;</a></span>factor2</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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118 ······<table·class="memname">118 ······<table·class="memname">
119 ········<tr>119 ········<tr>
120 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MicroCanonicalMD::AuxFactors::factor2</td>120 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MicroCanonicalMD::AuxFactors::factor2</td>
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124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d8e/a01523_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../db/d8e/a01523_source.html">microCanonicalMD.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">microCanonicalMD.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
127 </div><!--·contents·-->127 </div><!--·contents·-->
128 <!--·start·footer·part·-->128 <!--·start·footer·part·-->
129 <hr·class="footer"/><address·class="footer"><small>129 <hr·class="footer"/><address·class="footer"><small>
130 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8130 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ReissCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/db2/a00020_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d18/a01925_source.html">BALL/SOLVATION/reissCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ReissCavFreeEnergyProcessor:</div>84 Inheritance·diagram·for·BALL::ReissCavFreeEnergyProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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88 ··<map·id="BALL::ReissCavFreeEnergyProcessor_map"·name="BALL::ReissCavFreeEnergyProcessor_map">88 ··<map·id="BALL::ReissCavFreeEnergyProcessor_map"·name="BALL::ReissCavFreeEnergyProcessor_map">
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176 </table>176 </table>
177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Reiss·et·al.,·J.·Chem.·Phys.·37(1):119-124,·1960·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Reiss·et·al.,·J.·Chem.·Phys.·37(1):119-124,·1960·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
179 <p>Energies·are·returned·in·units·of·kJ/mol.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>179 <p>Energies·are·returned·in·units·of·kJ/mol.·</p><dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="ab721f79773300d653694c53ea9719233"·name="ab721f79773300d653694c53ea9719233"></a>182 <a·id="ab721f79773300d653694c53ea9719233"·name="ab721f79773300d653694c53ea9719233"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#ab721f79773300d653694c53ea9719233">&#9670;&#160;</a></span>ReissCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#ab721f79773300d653694c53ea9719233">&#9670;&#160;</a></span>ReissCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
184 <div·class="memitem">184 <div·class="memitem">
185 <div·class="memproto">185 <div·class="memproto">
186 ······<table·class="memname">186 ······<table·class="memname">
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348 ········<tr>348 ········<tr>
349 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::ReissCavFreeEnergyProcessor::options</td>349 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::ReissCavFreeEnergyProcessor::options</td>
350 ········</tr>350 ········</tr>
351 ······</table>351 ······</table>
352 </div><div·class="memdoc">352 </div><div·class="memdoc">
353 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>353 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/db2/a00020_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../db/db2/a00020_source.html">reissCavFreeEnergyProcessor.h</a>.</p>354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d18/a01925_source.html#l00181">181</a>·of·file·<a·class="el"·href="../../d6/d18/a01925_source.html">reissCavFreeEnergyProcessor.h</a>.</p>
  
355 </div>355 </div>
356 </div>356 </div>
357 </div><!--·contents·-->357 </div><!--·contents·-->
358 <!--·start·footer·part·-->358 <!--·start·footer·part·-->
359 <hr·class="footer"/><address·class="footer"><small>359 <hr·class="footer"/><address·class="footer"><small>
360 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8360 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·HTMLView.h·File·Reference</title>8 <title>BALL:·pyServer.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">HTMLView.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyServer.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;BALL/VIEW/UIC/ui_HTMLViewErrorWidget.h&gt;</code><br·/>82 <code>#include·&lt;QtNetwork/QTcpServer&gt;</code><br·/>
83 <code>#include·&lt;QtCore/QUrl&gt;</code><br·/>83 <code>#include·&lt;memory&gt;</code><br·/>
84 <code>#include·&lt;QtWebEngineWidgets/QWebEngineView&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../dd/d4e/a00329_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/d4e/a00329_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>88 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc6/a08422.html">BALL::VIEW::HTMLViewErrorWidget</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d29/a08426.html">BALL::VIEW::HTMLView</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html">BALL::PyServer</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dea/a08430.html">BALL::VIEW::HTMLViewDock</a></td></tr> 
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
98 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 </table>96 </table>
104 </div><!--·contents·-->97 </div><!--·contents·-->
105 <!--·start·footer·part·-->98 <!--·start·footer·part·-->
106 <hr·class="footer"/><address·class="footer"><small>99 <hr·class="footer"/><address·class="footer"><small>
107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
108 </small></address>101 </small></address>
109 </body>102 </body>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/de4/a06035.html">List·of·all·members</a>··</div>77 <a·href="../../d1/de4/a06035.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Statistics·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Statistics·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/QSAR/statistics.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a899d569ff8e8ac6b44906f0abf0feb8d"·id="r_a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a899d569ff8e8ac6b44906f0abf0feb8d">Statistics</a>·()</td></tr>86 <tr·class="memitem:a899d569ff8e8ac6b44906f0abf0feb8d"·id="r_a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a899d569ff8e8ac6b44906f0abf0feb8d">Statistics</a>·()</td></tr>
87 <tr·class="separator:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a899d569ff8e8ac6b44906f0abf0feb8d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a73cec0d632ec99205858cb24df7b8f46"·id="r_a73cec0d632ec99205858cb24df7b8f46"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a73cec0d632ec99205858cb24df7b8f46">~Statistics</a>·()</td></tr>88 <tr·class="memitem:a73cec0d632ec99205858cb24df7b8f46"·id="r_a73cec0d632ec99205858cb24df7b8f46"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a73cec0d632ec99205858cb24df7b8f46">~Statistics</a>·()</td></tr>
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148 <tr·class="separator:a3054c8b2e2b10399610a844b54aef10f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:a3054c8b2e2b10399610a844b54aef10f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 <tr·class="memitem:a189496d75d901d42f7f42e54d71d6b08"·id="r_a189496d75d901d42f7f42e54d71d6b08"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a189496d75d901d42f7f42e54d71d6b08">scalarProduct</a>·(const·Eigen::VectorXd·&amp;cv)</td></tr>149 <tr·class="memitem:a189496d75d901d42f7f42e54d71d6b08"·id="r_a189496d75d901d42f7f42e54d71d6b08"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d4e/a06038.html#a189496d75d901d42f7f42e54d71d6b08">scalarProduct</a>·(const·Eigen::VectorXd·&amp;cv)</td></tr>
150 <tr·class="separator:a189496d75d901d42f7f42e54d71d6b08"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:a189496d75d901d42f7f42e54d71d6b08"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>class·for·statistical·correction·of·input-data·</p>153 <div·class="textblock"><p>class·for·statistical·correction·of·input-data·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">statistics.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="a899d569ff8e8ac6b44906f0abf0feb8d"·name="a899d569ff8e8ac6b44906f0abf0feb8d"></a>156 <a·id="a899d569ff8e8ac6b44906f0abf0feb8d"·name="a899d569ff8e8ac6b44906f0abf0feb8d"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#a899d569ff8e8ac6b44906f0abf0feb8d">&#9670;&#160;</a></span>Statistics()</h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#a899d569ff8e8ac6b44906f0abf0feb8d">&#9670;&#160;</a></span>Statistics()</h2>
  
158 <div·class="memitem">158 <div·class="memitem">
159 <div·class="memproto">159 <div·class="memproto">
160 <table·class="mlabels">160 <table·class="mlabels">
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174 ··<td·class="mlabels-right">174 ··<td·class="mlabels-right">
175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>175 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
176 ··</tr>176 ··</tr>
177 </table>177 </table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
179 <p>defaut·constructor·</p>179 <p>defaut·constructor·</p>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">statistics.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
183 <a·id="a73cec0d632ec99205858cb24df7b8f46"·name="a73cec0d632ec99205858cb24df7b8f46"></a>183 <a·id="a73cec0d632ec99205858cb24df7b8f46"·name="a73cec0d632ec99205858cb24df7b8f46"></a>
184 <h2·class="memtitle"><span·class="permalink"><a·href="#a73cec0d632ec99205858cb24df7b8f46">&#9670;&#160;</a></span>~Statistics()</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#a73cec0d632ec99205858cb24df7b8f46">&#9670;&#160;</a></span>~Statistics()</h2>
  
185 <div·class="memitem">185 <div·class="memitem">
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202 ··<td·class="mlabels-right">202 ··<td·class="mlabels-right">
203 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>203 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
204 ··</tr>204 ··</tr>
205 </table>205 </table>
206 </div><div·class="memdoc">206 </div><div·class="memdoc">
207 <p>defaut·destructor·</p>207 <p>defaut·destructor·</p>
  
208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">statistics.h</a>.</p>208 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d63/a00455_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../dd/d63/a00455_source.html">statistics.h</a>.</p>
  
209 </div>209 </div>
210 </div>210 </div>
211 <h2·class="groupheader">Member·Function·Documentation</h2>211 <h2·class="groupheader">Member·Function·Documentation</h2>
212 <a·id="afa64408a3dd6512c360de50f5ffe2ab4"·name="afa64408a3dd6512c360de50f5ffe2ab4"></a>212 <a·id="afa64408a3dd6512c360de50f5ffe2ab4"·name="afa64408a3dd6512c360de50f5ffe2ab4"></a>
213 <h2·class="memtitle"><span·class="permalink"><a·href="#afa64408a3dd6512c360de50f5ffe2ab4">&#9670;&#160;</a></span>calculateRankCorrelation()</h2>213 <h2·class="memtitle"><span·class="permalink"><a·href="#afa64408a3dd6512c360de50f5ffe2ab4">&#9670;&#160;</a></span>calculateRankCorrelation()</h2>
  
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141 ··········<td>)</td>141 ··········<td>)</td>
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143 ········</tr>143 ········</tr>
144 ······</table>144 ······</table>
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146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>146 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
147 </div>147 </div>
148 </div>148 </div>
149 <a·id="a0d8ab8b0562f5e24a41ca867aaf1961b"·name="a0d8ab8b0562f5e24a41ca867aaf1961b"></a>149 <a·id="a0d8ab8b0562f5e24a41ca867aaf1961b"·name="a0d8ab8b0562f5e24a41ca867aaf1961b"></a>
150 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d8ab8b0562f5e24a41ca867aaf1961b">&#9670;&#160;</a></span>eliminateVertex()</h2>150 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d8ab8b0562f5e24a41ca867aaf1961b">&#9670;&#160;</a></span>eliminateVertex()</h2>
  
151 <div·class="memitem">151 <div·class="memitem">
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174 ··········<td></td><td></td>174 ··········<td></td><td></td>
175 ········</tr>175 ········</tr>
176 ······</table>176 ······</table>
177 </div><div·class="memdoc">177 </div><div·class="memdoc">
178 <p>Eliminate·the·vertex·from·the·graph·and·fill·in·the·resulting·hole.</p>178 <p>Eliminate·the·vertex·from·the·graph·and·fill·in·the·resulting·hole.</p>
179 <p>This·function·first·builds·a·clique·of·the·neighbourhood·of·the·given·vertex·and·removes·it·afterwards·</p>179 <p>This·function·first·builds·a·clique·of·the·neighbourhood·of·the·given·vertex·and·removes·it·afterwards·</p>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
181 </div>181 </div>
182 </div>182 </div>
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184 <h2·class="memtitle"><span·class="permalink"><a·href="#aa09d5ee0ef9ffd6c65aed47448f15d24">&#9670;&#160;</a></span>eliminateVertexUndoable()</h2>184 <h2·class="memtitle"><span·class="permalink"><a·href="#aa09d5ee0ef9ffd6c65aed47448f15d24">&#9670;&#160;</a></span>eliminateVertexUndoable()</h2>
  
185 <div·class="memitem">185 <div·class="memitem">
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214 ··<table·class="params">214 ··<table·class="params">
215 ····<tr><td·class="paramname">vertex</td><td>The·vertex·to·eliminate·</td></tr>215 ····<tr><td·class="paramname">vertex</td><td>The·vertex·to·eliminate·</td></tr>
216 ····<tr><td·class="paramname">graph</td><td>The·graph·containing·the·vertex·</td></tr>216 ····<tr><td·class="paramname">graph</td><td>The·graph·containing·the·vertex·</td></tr>
217 ··</table>217 ··</table>
218 ··</dd>218 ··</dd>
219 </dl>219 </dl>
  
220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d77/a00095_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../d9/d77/a00095_source.html">graphAlgorithms.h</a>.</p>220 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d3b/a00728_source.html#l00174">174</a>·of·file·<a·class="el"·href="../../df/d3b/a00728_source.html">graphAlgorithms.h</a>.</p>
  
221 </div>221 </div>
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224 <h2·class="memtitle"><span·class="permalink"><a·href="#a745012f6549120c0cb3d88a1238f21a7">&#9670;&#160;</a></span>makeEditableEdgeCopier()</h2>224 <h2·class="memtitle"><span·class="permalink"><a·href="#a745012f6549120c0cb3d88a1238f21a7">&#9670;&#160;</a></span>makeEditableEdgeCopier()</h2>
  
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261 </div>261 </div>
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264 <h2·class="memtitle"><span·class="permalink"><a·href="#a69c5a929b456abb639c8c1b6cab2b864">&#9670;&#160;</a></span>makeEditableVertexCopier()</h2>264 <h2·class="memtitle"><span·class="permalink"><a·href="#a69c5a929b456abb639c8c1b6cab2b864">&#9670;&#160;</a></span>makeEditableVertexCopier()</h2>
  
265 <div·class="memitem">265 <div·class="memitem">
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294 ··</td>294 ··</td>
295 ··<td·class="mlabels-right">295 ··<td·class="mlabels-right">
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306 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8306 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">geometricObject.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">cubicSpline2D.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;set&gt;</code><br·/>
 82 <code>#include·&lt;map&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d2/dc8/a00242_source.html">BALL/MATHS/cubicSpline1D.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../dd/d52/a00221_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d52/a00221_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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100 Typedefs</h2></td></tr> 
101 <tr·class="memitem:a4a3efc4f70d893edd52b9a423e2e099f"·id="r_a4a3efc4f70d893edd52b9a423e2e099f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::list&lt;·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·*·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html#a4a3efc4f70d893edd52b9a423e2e099f">BALL::VIEW::GeometricObjectList</a></td></tr> 
102 <tr·class="separator:a4a3efc4f70d893edd52b9a423e2e099f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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105 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
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107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·kernel.h·File·Reference</title>8 <title>BALL:·common.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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70 <div·id="nav-path"·class="navpath">70 <div·id="nav-path"·class="navpath">
71 ··<ul>71 ··<ul>
72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124; 
78 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#typedef-members">Typedefs</a>··</div>
79 ··<div·class="headertitle"><div·class="title">kernel.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">common.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
 82 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;cmath&gt;</code><br·/> 
87 <code>#include·&lt;sstream&gt;</code><br·/>83 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
 84 <code>#include·&lt;Eigen/StdVector&gt;</code><br·/>
88 </div>85 </div>
89 <p><a·href="../../dd/d59/a20371_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d59/a20371_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">87 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
92 Classes</h2></td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d7c/a05726.html">BALL::QSAR::Kernel</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 </table><table·class="memberdecls"> 
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
97 Namespaces</h2></td></tr>89 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>90 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>92 </table><table·class="memberdecls">
 93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 94 Typedefs</h2></td></tr>
 95 <tr·class="memitem:a489a83c1f219bb3b9f0df35791c7c73f"·id="r_a489a83c1f219bb3b9f0df35791c7c73f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::vector&lt;·Eigen::MatrixXd,·Eigen::aligned_allocator&lt;·Eigen::MatrixXd·&gt;·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a489a83c1f219bb3b9f0df35791c7c73f">BALL::MatrixVector</a></td></tr>
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:a489a83c1f219bb3b9f0df35791c7c73f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>97 </table>
103 </div><!--·contents·-->98 </div><!--·contents·-->
104 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/dce/a04559.html">List·of·all·members</a>··</div>78 <a·href="../../d1/dce/a04559.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::NucleotideIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::NucleotideIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d1b/a00827_source.html">BALL/KERNEL/nucleotideIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a00596_source.html">BALL/KERNEL/nucleotideIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::NucleotideIteratorTraits:</div>84 Inheritance·diagram·for·BALL::NucleotideIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dd/d5b/a04562.png"·usemap="#BALL::NucleotideIteratorTraits_map"·alt=""/>87 ··<img·src="../../dd/d5b/a04562.png"·usemap="#BALL::NucleotideIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::NucleotideIteratorTraits_map"·name="BALL::NucleotideIteratorTraits_map">88 ··<map·id="BALL::NucleotideIteratorTraits_map"·name="BALL::NucleotideIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,180,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,180,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p><a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·</p>196 <div·class="textblock"><p><a·class="el"·href="../../dd/d5b/a04562.html">NucleotideIteratorTraits</a>·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="ada917d8dbe5fbcc3e4f8b73298a89b08"·name="ada917d8dbe5fbcc3e4f8b73298a89b08"></a>199 <a·id="ada917d8dbe5fbcc3e4f8b73298a89b08"·name="ada917d8dbe5fbcc3e4f8b73298a89b08"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ada917d8dbe5fbcc3e4f8b73298a89b08">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ada917d8dbe5fbcc3e4f8b73298a89b08">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="a96644bef70cf3d6c046cbe193c5764f0"·name="a96644bef70cf3d6c046cbe193c5764f0"></a>225 <a·id="a96644bef70cf3d6c046cbe193c5764f0"·name="a96644bef70cf3d6c046cbe193c5764f0"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#a96644bef70cf3d6c046cbe193c5764f0">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#a96644bef70cf3d6c046cbe193c5764f0">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
227 <div·class="memitem">227 <div·class="memitem">
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244 ··</td>244 ··</td>
245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="af8e65a6c138c8401049a2860943434f7"·name="af8e65a6c138c8401049a2860943434f7"></a>253 <a·id="af8e65a6c138c8401049a2860943434f7"·name="af8e65a6c138c8401049a2860943434f7"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#af8e65a6c138c8401049a2860943434f7">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#af8e65a6c138c8401049a2860943434f7">&#9670;&#160;</a></span>NucleotideIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
255 <div·class="memitem">255 <div·class="memitem">
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282 ··</td>282 ··</td>
283 ··<td·class="mlabels-right">283 ··<td·class="mlabels-right">
284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>284 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
285 ··</tr>285 ··</tr>
286 </table>286 </table>
287 </div><div·class="memdoc">287 </div><div·class="memdoc">
  
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00046">46</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
289 </div>289 </div>
290 </div>290 </div>
291 <h2·class="groupheader">Member·Function·Documentation</h2>291 <h2·class="groupheader">Member·Function·Documentation</h2>
292 <a·id="aae98c52e593adb2acfaa9c0667cfa25c"·name="aae98c52e593adb2acfaa9c0667cfa25c"></a>292 <a·id="aae98c52e593adb2acfaa9c0667cfa25c"·name="aae98c52e593adb2acfaa9c0667cfa25c"></a>
293 <h2·class="memtitle"><span·class="permalink"><a·href="#aae98c52e593adb2acfaa9c0667cfa25c">&#9670;&#160;</a></span>operator=()</h2>293 <h2·class="memtitle"><span·class="permalink"><a·href="#aae98c52e593adb2acfaa9c0667cfa25c">&#9670;&#160;</a></span>operator=()</h2>
  
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311 ··</td>311 ··</td>
312 ··<td·class="mlabels-right">312 ··<td·class="mlabels-right">
313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>313 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
314 ··</tr>314 ··</tr>
315 </table>315 </table>
316 </div><div·class="memdoc">316 </div><div·class="memdoc">
  
317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>317 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00051">51</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
318 </div>318 </div>
319 </div>319 </div>
320 <a·id="a180a62fde8a66b27a14fdc58314e9de9"·name="a180a62fde8a66b27a14fdc58314e9de9"></a>320 <a·id="a180a62fde8a66b27a14fdc58314e9de9"·name="a180a62fde8a66b27a14fdc58314e9de9"></a>
321 <h2·class="memtitle"><span·class="permalink"><a·href="#a180a62fde8a66b27a14fdc58314e9de9">&#9670;&#160;</a></span>resetPredicate()</h2>321 <h2·class="memtitle"><span·class="permalink"><a·href="#a180a62fde8a66b27a14fdc58314e9de9">&#9670;&#160;</a></span>resetPredicate()</h2>
  
322 <div·class="memitem">322 <div·class="memitem">
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338 ··</td>338 ··</td>
339 ··<td·class="mlabels-right">339 ··<td·class="mlabels-right">
340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>340 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
341 ··</tr>341 ··</tr>
342 </table>342 </table>
343 </div><div·class="memdoc">343 </div><div·class="memdoc">
  
344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d1b/a00827_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d1b/a00827_source.html">nucleotideIterator.h</a>.</p>344 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a00596_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d25/a00596_source.html">nucleotideIterator.h</a>.</p>
  
345 </div>345 </div>
346 </div>346 </div>
347 </div><!--·contents·-->347 </div><!--·contents·-->
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85 <p><a·href="../../dd/d5c/a00578_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/d5c/a00578_source.html">Go·to·the·source·code·of·this·file.</a></p>
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101 ··········<td·class="memname">const·void*·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::p</td>101 ··········<td·class="memname">const·void*·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::p</td>
102 ········</tr>102 ········</tr>
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119 ··········<td·class="memname">size_t·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::s</td>119 ··········<td·class="memname">size_t·boost::hash&lt;·RTpieCpp::InstanceHandle·&gt;::conv::s</td>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d89/a04875.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d89/a04875.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::PiecewiseFunction·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::PiecewiseFunction·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/dc0/a00734_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/da8/a00230_source.html">BALL/MATHS/piecewiseFunction.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::PiecewiseFunction:</div>83 Inheritance·diagram·for·BALL::PiecewiseFunction:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/d60/a04878.png"·usemap="#BALL::PiecewiseFunction_map"·alt=""/>86 ··<img·src="../../dd/d60/a04878.png"·usemap="#BALL::PiecewiseFunction_map"·alt=""/>
87 ··<map·id="BALL::PiecewiseFunction_map"·name="BALL::PiecewiseFunction_map">87 ··<map·id="BALL::PiecewiseFunction_map"·name="BALL::PiecewiseFunction_map">
88 <area·href="../../d9/dd0/a04882.html"·alt="BALL::PiecewisePolynomial"·shape="rect"·coords="0,56,167,80"/>88 <area·href="../../d9/dd0/a04882.html"·alt="BALL::PiecewisePolynomial"·shape="rect"·coords="0,56,167,80"/>
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150 <tr·class="separator:ad3338c186c44db9222b8fb23cd852124"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:ad3338c186c44db9222b8fb23cd852124"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>Piecewise·function·object.·This·class·provides·the·interface·for·piecewise·functions·needed·as·representation·of·radial·distribution·functions·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>).·It·implements·the·<code>Function</code>·interface.·</dd></dl>153 <div·class="textblock"><p>Piecewise·function·object.·This·class·provides·the·interface·for·piecewise·functions·needed·as·representation·of·radial·distribution·functions·(</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../dc/dfc/a07026.html">RadialDistributionFunction</a>).·It·implements·the·<code>Function</code>·interface.·</dd></dl>
154 <dl·class="section·user"><dt></dt><dd>Note·that·intervals·<b>·must·</b>·be·disjunct·and·interval·limits·have·to·meet.·We·require·the·intervals·to·be·sorted·such·that·the·lowest·interval·limit·is·the·first·interval·of·the·vector.·</dd></dl>154 <dl·class="section·user"><dt></dt><dd>Note·that·intervals·<b>·must·</b>·be·disjunct·and·interval·limits·have·to·meet.·We·require·the·intervals·to·be·sorted·such·that·the·lowest·interval·limit·is·the·first·interval·of·the·vector.·</dd></dl>
155 <dl·class="section·user"><dt></dt><dd></dd></dl>155 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">piecewiseFunction.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>157 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
158 <a·id="a6916912e40e75f44a3aaca19da516593"·name="a6916912e40e75f44a3aaca19da516593"></a>158 <a·id="a6916912e40e75f44a3aaca19da516593"·name="a6916912e40e75f44a3aaca19da516593"></a>
159 <h2·class="memtitle"><span·class="permalink"><a·href="#a6916912e40e75f44a3aaca19da516593">&#9670;&#160;</a></span>PiecewiseFunction()·<span·class="overload">[1/3]</span></h2>159 <h2·class="memtitle"><span·class="permalink"><a·href="#a6916912e40e75f44a3aaca19da516593">&#9670;&#160;</a></span>PiecewiseFunction()·<span·class="overload">[1/3]</span></h2>
  
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674 ··</td>674 ··</td>
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676 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>676 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
677 ··</tr>677 ··</tr>
678 </table>678 </table>
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680 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">piecewiseFunction.h</a>.</p>680 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
681 </div>681 </div>
682 </div>682 </div>
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698 ··</td>698 ··</td>
699 ··<td·class="mlabels-right">699 ··<td·class="mlabels-right">
700 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>700 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
701 ··</tr>701 ··</tr>
702 </table>702 </table>
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704 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">piecewiseFunction.h</a>.</p>704 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">coloringSettingsDialog.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">statistics.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
 82 <code>#include·&lt;iostream&gt;</code><br·/>
 83 <code>#include·&lt;cmath&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d7/d03/a00254_source.html">BALL/MATHS/parsedFunction.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;BALL/VIEW/UIC/ui_coloringSettingsDialog.h&gt;</code><br·/> 
86 <code>#include·&lt;vector&gt;</code><br·/>85 <code>#include·&lt;set&gt;</code><br·/>
 86 <code>#include·&lt;Eigen/Core&gt;</code><br·/>
87 </div>87 </div>
88 <p><a·href="../../dd/d63/a00455_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../dd/d63/a00455_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">89 <table·class="memberdecls">
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96 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>99 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
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104 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/dcd/a07055.html">List·of·all·members</a>··</div>78 <a·href="../../d8/dcd/a07055.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition3·&gt;·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">boost::hash&lt;·BALL::SortedPosition3·&gt;·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/dfc/a01814_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dc0/a01757_source.html">BALL/STRUCTURE/reducedSurface.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a3c5303f32a6d6e3600b70521e5b9f043"·id="r_a3c5303f32a6d6e3600b70521e5b9f043"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d67/a07058.html#a3c5303f32a6d6e3600b70521e5b9f043">operator()</a>·(const·<a·class="el"·href="../../d8/de3/a07050.html">BALL::SortedPosition3</a>·&amp;p)·const</td></tr>86 <tr·class="memitem:a3c5303f32a6d6e3600b70521e5b9f043"·id="r_a3c5303f32a6d6e3600b70521e5b9f043"><td·class="memItemLeft"·align="right"·valign="top">size_t&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d67/a07058.html#a3c5303f32a6d6e3600b70521e5b9f043">operator()</a>·(const·<a·class="el"·href="../../d8/de3/a07050.html">BALL::SortedPosition3</a>·&amp;p)·const</td></tr>
87 <tr·class="separator:a3c5303f32a6d6e3600b70521e5b9f043"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a3c5303f32a6d6e3600b70521e5b9f043"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">reducedSurface.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00166">166</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
92 </div><h2·class="groupheader">Member·Function·Documentation</h2>92 </div><h2·class="groupheader">Member·Function·Documentation</h2>
93 <a·id="a3c5303f32a6d6e3600b70521e5b9f043"·name="a3c5303f32a6d6e3600b70521e5b9f043"></a>93 <a·id="a3c5303f32a6d6e3600b70521e5b9f043"·name="a3c5303f32a6d6e3600b70521e5b9f043"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c5303f32a6d6e3600b70521e5b9f043">&#9670;&#160;</a></span>operator()()</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c5303f32a6d6e3600b70521e5b9f043">&#9670;&#160;</a></span>operator()()</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
  
117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dfc/a01814_source.html#l00168">168</a>·of·file·<a·class="el"·href="../../d6/dfc/a01814_source.html">reducedSurface.h</a>.</p>117 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dc0/a01757_source.html#l00168">168</a>·of·file·<a·class="el"·href="../../db/dc0/a01757_source.html">reducedSurface.h</a>.</p>
  
118 </div>118 </div>
119 </div>119 </div>
120 </div><!--·contents·-->120 </div><!--·contents·-->
121 <!--·start·footer·part·-->121 <!--·start·footer·part·-->
122 <hr·class="footer"/><address·class="footer"><small>122 <hr·class="footer"/><address·class="footer"><small>
123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8123 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d1/d30/a04639.html">List·of·all·members</a>··</div>78 <a·href="../../d1/d30/a04639.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TruePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TruePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TruePredicate:</div>84 Inheritance·diagram·for·BALL::TruePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dd/d6a/a04642.png"·usemap="#BALL::TruePredicate_map"·alt=""/>87 ··<img·src="../../dd/d6a/a04642.png"·usemap="#BALL::TruePredicate_map"·alt=""/>
88 ··<map·id="BALL::TruePredicate_map"·name="BALL::TruePredicate_map">88 ··<map·id="BALL::TruePredicate_map"·name="BALL::TruePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Default·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>true</b>.·</p>131 <div·class="textblock"><p>Default·predicate.·This·predicate·may·be·used·to·implement·default·rules.·It·is·always·<b>true</b>.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a291f5856fcd6fdc64fb9c3fbd9987055"·name="a291f5856fcd6fdc64fb9c3fbd9987055"></a>134 <a·id="a291f5856fcd6fdc64fb9c3fbd9987055"·name="a291f5856fcd6fdc64fb9c3fbd9987055"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a291f5856fcd6fdc64fb9c3fbd9987055">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a291f5856fcd6fdc64fb9c3fbd9987055">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../db/d64/a04183.html">List·of·all·members</a>··</div>78 <a·href="../../db/d64/a04183.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordENDMDL·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordENDMDL·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ab78b6f8e39d2b59c7a1ff27af585bbe0"·id="r_ab78b6f8e39d2b59c7a1ff27af585bbe0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d6d/a04186.html#ab78b6f8e39d2b59c7a1ff27af585bbe0">record_type</a></td></tr>86 <tr·class="memitem:ab78b6f8e39d2b59c7a1ff27af585bbe0"·id="r_ab78b6f8e39d2b59c7a1ff27af585bbe0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d6d/a04186.html#ab78b6f8e39d2b59c7a1ff27af585bbe0">record_type</a></td></tr>
87 <tr·class="separator:ab78b6f8e39d2b59c7a1ff27af585bbe0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ab78b6f8e39d2b59c7a1ff27af585bbe0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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89 <tr·class="separator:ae8f3312bc643ed7e6bde1c613f6f216b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ae8f3312bc643ed7e6bde1c613f6f216b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00627">627</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00627">627</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="ae8f3312bc643ed7e6bde1c613f6f216b"·name="ae8f3312bc643ed7e6bde1c613f6f216b"></a>95 <a·id="ae8f3312bc643ed7e6bde1c613f6f216b"·name="ae8f3312bc643ed7e6bde1c613f6f216b"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8f3312bc643ed7e6bde1c613f6f216b">&#9670;&#160;</a></span>record_name</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ae8f3312bc643ed7e6bde1c613f6f216b">&#9670;&#160;</a></span>record_name</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
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101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordENDMDL::record_name</td>101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordENDMDL::record_name</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00630">630</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00630">630</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="ab78b6f8e39d2b59c7a1ff27af585bbe0"·name="ab78b6f8e39d2b59c7a1ff27af585bbe0"></a>108 <a·id="ab78b6f8e39d2b59c7a1ff27af585bbe0"·name="ab78b6f8e39d2b59c7a1ff27af585bbe0"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab78b6f8e39d2b59c7a1ff27af585bbe0">&#9670;&#160;</a></span>record_type</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ab78b6f8e39d2b59c7a1ff27af585bbe0">&#9670;&#160;</a></span>record_type</h2>
  
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172 <h2·class="memtitle"><span·class="permalink"><a·href="#ac762a2711e91a757b537b7fec34c8249">&#9670;&#160;</a></span>VERBOSITY</h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#ac762a2711e91a757b537b7fec34c8249">&#9670;&#160;</a></span>VERBOSITY</h2>
  
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186 ··</td>186 ··</td>
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
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83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGridController·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RaytraceableGridController·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
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248 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 </table>249 </table>
250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>250 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
251 <div·class="textblock"><p>Controller·class·for·<a·class="el"·href="../../d4/dd9/a07486.html">RaytraceableGrid</a>·</p>251 <div·class="textblock"><p>Controller·class·for·<a·class="el"·href="../../d4/dd9/a07486.html">RaytraceableGrid</a>·</p>
  
252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>252 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00310">310</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>253 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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255 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b4a90dcbbab0b12f8882b47441e5d2f">&#9670;&#160;</a></span>RaytraceableGridController()·<span·class="overload">[1/2]</span></h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b4a90dcbbab0b12f8882b47441e5d2f">&#9670;&#160;</a></span>RaytraceableGridController()·<span·class="overload">[1/2]</span></h2>
  
256 <div·class="memitem">256 <div·class="memitem">
257 <div·class="memproto">257 <div·class="memproto">
258 ······<table·class="memname">258 ······<table·class="memname">
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503 ··</td>503 ··</td>
504 ··<td·class="mlabels-right">504 ··<td·class="mlabels-right">
505 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>505 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
506 ··</tr>506 ··</tr>
507 </table>507 </table>
508 </div><div·class="memdoc">508 </div><div·class="memdoc">
  
509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00351">351</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00351">351</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
510 </div>510 </div>
511 </div>511 </div>
512 <a·id="a813f275532348e8a6dc990025a896f18"·name="a813f275532348e8a6dc990025a896f18"></a>512 <a·id="a813f275532348e8a6dc990025a896f18"·name="a813f275532348e8a6dc990025a896f18"></a>
513 <h2·class="memtitle"><span·class="permalink"><a·href="#a813f275532348e8a6dc990025a896f18">&#9670;&#160;</a></span>type</h2>513 <h2·class="memtitle"><span·class="permalink"><a·href="#a813f275532348e8a6dc990025a896f18">&#9670;&#160;</a></span>type</h2>
  
514 <div·class="memitem">514 <div·class="memitem">
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527 ··</td>527 ··</td>
528 ··<td·class="mlabels-right">528 ··<td·class="mlabels-right">
529 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>529 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
530 ··</tr>530 ··</tr>
531 </table>531 </table>
532 </div><div·class="memdoc">532 </div><div·class="memdoc">
  
533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>533 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00340">340</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
534 </div>534 </div>
535 </div>535 </div>
536 </div><!--·contents·-->536 </div><!--·contents·-->
537 <!--·start·footer·part·-->537 <!--·start·footer·part·-->
538 <hr·class="footer"/><address·class="footer"><small>538 <hr·class="footer"/><address·class="footer"><small>
539 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8539 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d0/d17/a07763.html">List·of·all·members</a>··</div>79 <a·href="../../d0/d17/a07763.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDeviceDriver·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::InputDeviceDriver·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d8e/a00647_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dd9/a01328_source.html">BALL/VIEW/INPUT/inputDeviceDriver.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::InputDeviceDriver:</div>85 Inheritance·diagram·for·BALL::VIEW::InputDeviceDriver:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dd/d73/a07766.png"·usemap="#BALL::VIEW::InputDeviceDriver_map"·alt=""/>88 ··<img·src="../../dd/d73/a07766.png"·usemap="#BALL::VIEW::InputDeviceDriver_map"·alt=""/>
89 ··<map·id="BALL::VIEW::InputDeviceDriver_map"·name="BALL::VIEW::InputDeviceDriver_map">89 ··<map·id="BALL::VIEW::InputDeviceDriver_map"·name="BALL::VIEW::InputDeviceDriver_map">
90 <area·href="../../de/dec/a07758.html"·alt="BALL::VIEW::FakeDriver"·shape="rect"·coords="0,56,189,80"/>90 <area·href="../../de/dec/a07758.html"·alt="BALL::VIEW::FakeDriver"·shape="rect"·coords="0,56,189,80"/>
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118 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6"·id="r_af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>118 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6"·id="r_af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
119 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45"·id="r_abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>120 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45"·id="r_abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
121 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 </table>122 </table>
123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>123 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
124 <div·class="textblock">124 <div·class="textblock">
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8e/a00647_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d8e/a00647_source.html">inputDeviceDriver.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">inputDeviceDriver.h</a>.</p>
126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>126 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
127 <a·id="a778df2541b2327c99157ecebeaf4f0a7"·name="a778df2541b2327c99157ecebeaf4f0a7"></a>127 <a·id="a778df2541b2327c99157ecebeaf4f0a7"·name="a778df2541b2327c99157ecebeaf4f0a7"></a>
128 <h2·class="memtitle"><span·class="permalink"><a·href="#a778df2541b2327c99157ecebeaf4f0a7">&#9670;&#160;</a></span>InputDeviceDriver()</h2>128 <h2·class="memtitle"><span·class="permalink"><a·href="#a778df2541b2327c99157ecebeaf4f0a7">&#9670;&#160;</a></span>InputDeviceDriver()</h2>
  
129 <div·class="memitem">129 <div·class="memitem">
130 <div·class="memproto">130 <div·class="memproto">
131 ······<table·class="memname">131 ······<table·class="memname">
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396 ··</td>396 ··</td>
397 ··<td·class="mlabels-right">397 ··<td·class="mlabels-right">
398 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>398 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
399 ··</tr>399 ··</tr>
400 </table>400 </table>
401 </div><div·class="memdoc">401 </div><div·class="memdoc">
  
402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8e/a00647_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d3/d8e/a00647_source.html">inputDeviceDriver.h</a>.</p>402 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dd9/a01328_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dc/dd9/a01328_source.html">inputDeviceDriver.h</a>.</p>
  
403 </div>403 </div>
404 </div>404 </div>
405 <a·id="a6010612de3b241c39c77f6bc649c332b"·name="a6010612de3b241c39c77f6bc649c332b"></a>405 <a·id="a6010612de3b241c39c77f6bc649c332b"·name="a6010612de3b241c39c77f6bc649c332b"></a>
406 <h2·class="memtitle"><span·class="permalink"><a·href="#a6010612de3b241c39c77f6bc649c332b">&#9670;&#160;</a></span>setEnabled()</h2>406 <h2·class="memtitle"><span·class="permalink"><a·href="#a6010612de3b241c39c77f6bc649c332b">&#9670;&#160;</a></span>setEnabled()</h2>
  
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8 <title>BALL:·icons.h·File·Reference</title>8 <title>BALL:·icons.C·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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71 ··<ul>71 ··<ul>
72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_b2f33c71d4aa5e7af42a1ca61ff5af1b.html">source</a></li><li·class="navelem"><a·class="el"·href="../../dir_019c4e46fcb890c787c66301a26551fc.html">APPLICATIONS</a></li><li·class="navelem"><a·class="el"·href="../../dir_caeb21bac24e0bfbd8589dcedcedfe92.html">BALLVIEW</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#var-members">Variables</a>··</div>77 <a·href="#var-members">Variables</a>··</div>
78 ··<div·class="headertitle"><div·class="title">icons.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">icons.C·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><a·href="../../dd/d77/a02096_source.html">Go·to·the·source·code·of·this·file.</a></p>81 <p><a·href="../../dd/d77/a02096_source.html">Go·to·the·source·code·of·this·file.</a></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
84 Variables</h2></td></tr>84 Variables</h2></td></tr>
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88 </table>88 </table>
89 <h2·class="groupheader">Variable·Documentation</h2>89 <h2·class="groupheader">Variable·Documentation</h2>
90 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>90 <a·id="abb264087174fbf8cd5e8af88cd48fd41"·name="abb264087174fbf8cd5e8af88cd48fd41"></a>
91 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&#160;</a></span>bucky_64x64_xpm</h2>91 <h2·class="memtitle"><span·class="permalink"><a·href="#abb264087174fbf8cd5e8af88cd48fd41">&#9670;&#160;</a></span>bucky_64x64_xpm</h2>
  
92 <div·class="memitem">92 <div·class="memitem">
93 <div·class="memproto">93 <div·class="memproto">
94 <table·class="mlabels"> 
95 ··<tr> 
96 ··<td·class="mlabels-left"> 
97 ······<table·class="memname">94 ······<table·class="memname">
98 ········<tr>95 ········<tr>
99 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>96 ··········<td·class="memname">const·char*·bucky_64x64_xpm[]</td>
100 ········</tr>97 ········</tr>
101 ······</table>98 ······</table>
102 ··</td> 
103 ··<td·class="mlabels-right"> 
104 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td> 
105 ··</tr> 
106 </table> 
107 </div><div·class="memdoc">99 </div><div·class="memdoc">
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7a/a02105_source.html#l00009">9</a>·of·file·<a·class="el"·href="../../db/d7a/a02105_source.html">icons.C</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d77/a02096_source.html#l00009">9</a>·of·file·<a·class="el"·href="../../dd/d77/a02096_source.html">icons.C</a>.</p>
  
109 </div>101 </div>
110 </div>102 </div>
111 </div><!--·contents·-->103 </div><!--·contents·-->
112 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
113 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
114 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d5/d04/a03303.html">List·of·all·members</a>··</div>77 <a·href="../../d5/d04/a03303.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::ObjectCreator·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::ObjectCreator·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01448_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d49/a00863_source.html">BALL/CONCEPT/objectCreator.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::ObjectCreator:</div>83 Inheritance·diagram·for·BALL::ObjectCreator:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/d7a/a03306.png"·usemap="#BALL::ObjectCreator_map"·alt=""/>86 ··<img·src="../../dd/d7a/a03306.png"·usemap="#BALL::ObjectCreator_map"·alt=""/>
87 ··<map·id="BALL::ObjectCreator_map"·name="BALL::ObjectCreator_map">87 ··<map·id="BALL::ObjectCreator_map"·name="BALL::ObjectCreator_map">
88 <area·href="../../d6/d90/a03298.html"·alt="BALL::MoleculeObjectCreator"·shape="rect"·coords="0,56,181,80"/>88 <area·href="../../d6/d90/a03298.html"·alt="BALL::MoleculeObjectCreator"·shape="rect"·coords="0,56,181,80"/>
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109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Operators</h2></td></tr>109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Operators</h2></td></tr>
110 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664"·id="r_a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>110 <tr·class="memitem:a510f3b1b04441cd9b9cedfb7a0ea3664"·id="r_a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a03306.html#a510f3b1b04441cd9b9cedfb7a0ea3664">operator()</a>·(<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>·&amp;tcp_iostream)</td></tr>
111 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a510f3b1b04441cd9b9cedfb7a0ea3664"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock"><p><a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·class.·The·class·<a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·is·a·base·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·It·defines·methods·for·initialization·and·conversion·that·must·be·overriden·by·the·derived·class.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>114 <div·class="textblock"><p><a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·class.·The·class·<a·class="el"·href="../../dd/d7a/a03306.html">ObjectCreator</a>·is·a·base·class·for·converting·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·into·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·It·defines·methods·for·initialization·and·conversion·that·must·be·overriden·by·the·derived·class.·This·class·is·used·by·the·class·Server·to·convert·incoming·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·objects·to·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01448_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/d08/a01448_source.html">objectCreator.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d49/a00863_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/d49/a00863_source.html">objectCreator.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="a31d3e54eb27ef1e9df40f77009f8f5c3"·name="a31d3e54eb27ef1e9df40f77009f8f5c3"></a>117 <a·id="a31d3e54eb27ef1e9df40f77009f8f5c3"·name="a31d3e54eb27ef1e9df40f77009f8f5c3"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d3e54eb27ef1e9df40f77009f8f5c3">&#9670;&#160;</a></span>ObjectCreator()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#a31d3e54eb27ef1e9df40f77009f8f5c3">&#9670;&#160;</a></span>ObjectCreator()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../df/d5a/a05423.html">List·of·all·members</a>··</div>78 <a·href="../../df/d5a/a05423.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Data·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QuadraticBondStretch::Data·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d8d/a01667_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d9a/a00152_source.html">BALL/MOLMEC/PARAMETER/quadraticBondStretch.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a99524736bfd265b67f4ac701f1c49351"·id="r_a99524736bfd265b67f4ac701f1c49351"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a99524736bfd265b67f4ac701f1c49351">atom1</a></td></tr>86 <tr·class="memitem:a99524736bfd265b67f4ac701f1c49351"·id="r_a99524736bfd265b67f4ac701f1c49351"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html#a99524736bfd265b67f4ac701f1c49351">atom1</a></td></tr>
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89 <tr·class="separator:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ad724e78cf813b0212700ebbaf4a3d07e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 <tr·class="separator:a2a4801b465902039b3344013fdd17bfc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a2a4801b465902039b3344013fdd17bfc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a99524736bfd265b67f4ac701f1c49351"·name="a99524736bfd265b67f4ac701f1c49351"></a>97 <a·id="a99524736bfd265b67f4ac701f1c49351"·name="a99524736bfd265b67f4ac701f1c49351"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a99524736bfd265b67f4ac701f1c49351">&#9670;&#160;</a></span>atom1</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a99524736bfd265b67f4ac701f1c49351">&#9670;&#160;</a></span>atom1</h2>
  
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102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom1</td>103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom1</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00043">43</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="ad724e78cf813b0212700ebbaf4a3d07e"·name="ad724e78cf813b0212700ebbaf4a3d07e"></a>110 <a·id="ad724e78cf813b0212700ebbaf4a3d07e"·name="ad724e78cf813b0212700ebbaf4a3d07e"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad724e78cf813b0212700ebbaf4a3d07e">&#9670;&#160;</a></span>atom2</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ad724e78cf813b0212700ebbaf4a3d07e">&#9670;&#160;</a></span>atom2</h2>
  
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121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom2</td>121 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::QuadraticBondStretch::Data::atom2</td>
122 ········</tr>122 ········</tr>
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125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="a2a4801b465902039b3344013fdd17bfc"·name="a2a4801b465902039b3344013fdd17bfc"></a>128 <a·id="a2a4801b465902039b3344013fdd17bfc"·name="a2a4801b465902039b3344013fdd17bfc"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a4801b465902039b3344013fdd17bfc">&#9670;&#160;</a></span>values</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a2a4801b465902039b3344013fdd17bfc">&#9670;&#160;</a></span>values</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../da/d27/a05422.html">Values</a>·BALL::QuadraticBondStretch::Data::values</td>137 ··········<td·class="memname"><a·class="el"·href="../../da/d27/a05422.html">Values</a>·BALL::QuadraticBondStretch::Data::values</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d8d/a01667_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/d8d/a01667_source.html">quadraticBondStretch.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d9a/a00152_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d9a/a00152_source.html">quadraticBondStretch.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d8/d3d/a06471.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d3d/a06471.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ElectrostaticPotentialCalculator::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d87/a00032_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/SOLVATION/electrostaticPotentialCalculator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:aee01c5854d229a711cc76dced81e8a47"·id="r_aee01c5854d229a711cc76dced81e8a47"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d80/a06474.html#aee01c5854d229a711cc76dced81e8a47">LOCALITY</a></td></tr>86 <tr·class="memitem:aee01c5854d229a711cc76dced81e8a47"·id="r_aee01c5854d229a711cc76dced81e8a47"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d80/a06474.html#aee01c5854d229a711cc76dced81e8a47">LOCALITY</a></td></tr>
87 <tr·class="separator:aee01c5854d229a711cc76dced81e8a47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aee01c5854d229a711cc76dced81e8a47"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock"><p><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·values·for·the·options·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>·</p>90 <div·class="textblock"><p><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·values·for·the·options·in·<a·class="el"·href="../../d7/dbb/a06466.html#ab8c7790a27e094e95bb665e34d32ef39">ElectrostaticPotentialCalculator::options</a>·</p>
  
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">electrostaticPotentialCalculator.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00052">52</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="aee01c5854d229a711cc76dced81e8a47"·name="aee01c5854d229a711cc76dced81e8a47"></a>93 <a·id="aee01c5854d229a711cc76dced81e8a47"·name="aee01c5854d229a711cc76dced81e8a47"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#aee01c5854d229a711cc76dced81e8a47">&#9670;&#160;</a></span>LOCALITY</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#aee01c5854d229a711cc76dced81e8a47">&#9670;&#160;</a></span>LOCALITY</h2>
  
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109 ··<td·class="mlabels-right">109 ··<td·class="mlabels-right">
110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>110 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
111 ··</tr>111 ··</tr>
112 </table>112 </table>
113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <p><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·calculation·method.·The·default·is·to·use·a·local·field.·</p>114 <p><a·class="el"·href="../../dd/d80/a06474.html">Default</a>·calculation·method.·The·default·is·to·use·a·local·field.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d87/a00032_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../dc/d87/a00032_source.html">electrostaticPotentialCalculator.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d07/a01913_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d07/a01913_source.html">electrostaticPotentialCalculator.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··82 <p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··
83 ·<a·href="../../dd/d82/a05598.html#details">More...</a></p>83 ·<a·href="../../dd/d82/a05598.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::AromaticityProcessor:</div>86 Inheritance·diagram·for·BALL::AromaticityProcessor:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../dd/d82/a05598.png"·usemap="#BALL::AromaticityProcessor_map"·alt=""/>89 ··<img·src="../../dd/d82/a05598.png"·usemap="#BALL::AromaticityProcessor_map"·alt=""/>
90 ··<map·id="BALL::AromaticityProcessor_map"·name="BALL::AromaticityProcessor_map">90 ··<map·id="BALL::AromaticityProcessor_map"·name="BALL::AromaticityProcessor_map">
91 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>91 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="0,56,341,80"/>
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165 </table>165 </table>
166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>166 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
167 <div·class="textblock"><p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.·</p>167 <div·class="textblock"><p>This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.·</p>
168 <p>Aromaticity·<a·class="el"·href="../../de/d93/a03330.html">Processor</a></p>168 <p>Aromaticity·<a·class="el"·href="../../de/d93/a03330.html">Processor</a></p>
169 <p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·method·to·detect·aromaticity·of·AtomContainers.·If·it·is·called·as·a·processor·with·the·operator·(),·the·<a·class="el"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·is·called·before,·to·calculate·a·ring·set.·It·can·be·called·explicitely·with·aromatize·with·a·ringset·as·parameter.·</p>169 <p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·method·to·detect·aromaticity·of·AtomContainers.·If·it·is·called·as·a·processor·with·the·operator·(),·the·<a·class="el"·href="../../da/d81/a05850.html">RingPerceptionProcessor</a>·is·called·before,·to·calculate·a·ring·set.·It·can·be·called·explicitely·with·aromatize·with·a·ringset·as·parameter.·</p>
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">aromaticityProcessor.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>171 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
172 <a·id="a55bb59a9631e37a96d6c174f477c177e"·name="a55bb59a9631e37a96d6c174f477c177e"></a>172 <a·id="a55bb59a9631e37a96d6c174f477c177e"·name="a55bb59a9631e37a96d6c174f477c177e"></a>
173 <h2·class="memtitle"><span·class="permalink"><a·href="#a55bb59a9631e37a96d6c174f477c177e">&#9670;&#160;</a></span>AromaticityProcessor()·<span·class="overload">[1/2]</span></h2>173 <h2·class="memtitle"><span·class="permalink"><a·href="#a55bb59a9631e37a96d6c174f477c177e">&#9670;&#160;</a></span>AromaticityProcessor()·<span·class="overload">[1/2]</span></h2>
  
174 <div·class="memitem">174 <div·class="memitem">
175 <div·class="memproto">175 <div·class="memproto">
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418 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::AromaticityProcessor::options</td>418 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::AromaticityProcessor::options</td>
419 ········</tr>419 ········</tr>
420 ······</table>420 ······</table>
421 </div><div·class="memdoc">421 </div><div·class="memdoc">
  
422 <p>options·</p>422 <p>options·</p>
  
423 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d8d/a01007_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d6/d8d/a01007_source.html">aromaticityProcessor.h</a>.</p>423 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d15/a00416_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../df/d15/a00416_source.html">aromaticityProcessor.h</a>.</p>
  
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425 </div>425 </div>
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8 <title>BALL:·quadraticBondStretch.h·File·Reference</title>8 <title>BALL:·buildBondsProcessor.h·File·Reference</title>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">quadraticBondStretch.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">buildBondsProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 </div>86 </div>
84 <p><a·href="../../dd/d8d/a01667_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dd/d8d/a01667_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">88 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d54/a05418.html">BALL::QuadraticBondStretch</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dec/a06822.html">BALL::BuildBondsProcessor</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d27/a05422.html">BALL::QuadraticBondStretch::Values</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/df9/a06826.html">BALL::BuildBondsProcessor::Option</a></td></tr>
 94 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d6/df9/a06826.html"·title="Option·names.">Option</a>·names.··<a·href="../../d6/df9/a06826.html#details">More...</a><br·/></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d7a/a05426.html">BALL::QuadraticBondStretch::Data</a></td></tr>96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d31/a06830.html">BALL::BuildBondsProcessor::Default</a></td></tr>
 97 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dc/d31/a06830.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../dc/d31/a06830.html#details">More...</a><br·/></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>102 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·rotamerLibrary.h·File·Reference</title>8 <title>BALL:·coulomb.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div>76 <a·href="#namespaces">Namespaces</a>·&#124;
 77 <a·href="#func-members">Functions</a>··</div>
78 ··<div·class="headertitle"><div·class="title">rotamerLibrary.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">coulomb.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/db5/a01730_source.html">BALL/STRUCTURE/residueRotamerSet.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;BALL/DATATYPE/hasMap.h&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../dd/d8e/a01898_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dd/d8e/a01898_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
88 Classes</h2></td></tr> 
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dff/a07114.html">BALL::RotamerLibrary</a></td></tr> 
90 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d3/d86/a07078.html">Rotamer</a>·Library·Class.··<a·href="../../d4/dff/a07114.html#details">More...</a><br·/></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 </table><table·class="memberdecls"> 
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 </table><table·class="memberdecls">
 90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a>
 91 Functions</h2></td></tr>
 92 <tr·class="memitem:ga982bf11586cc66ca76d1d1a5189ffd83"·id="r_ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/df6/a02138.html#ga982bf11586cc66ca76d1d1a5189ffd83">BALL::calculateCoulomb</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;<a·class="el"·href="../../d2/d08/a02148.html#ga66b7bde1348f03824bb0af435d93b9a0">atoms</a>)</td></tr>
 93 <tr·class="separator:ga982bf11586cc66ca76d1d1a5189ffd83"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table>94 </table>
98 </div><!--·contents·-->95 </div><!--·contents·-->
99 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
102 </small></address>99 </small></address>
103 </body>100 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;78 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
79 <a·href="../../d9/d45/a03879.html">List·of·all·members</a>··</div>79 <a·href="../../d9/d45/a03879.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::DockResultFile·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::DockResultFile·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d8/ddf/a01238_source.html">BALL/FORMAT/dockResultFile.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../da/d5b/a00905_source.html">BALL/FORMAT/dockResultFile.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::DockResultFile:</div>85 Inheritance·diagram·for·BALL::DockResultFile:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dd/d94/a03882.png"·usemap="#BALL::DockResultFile_map"·alt=""/>88 ··<img·src="../../dd/d94/a03882.png"·usemap="#BALL::DockResultFile_map"·alt=""/>
89 ··<map·id="BALL::DockResultFile_map"·name="BALL::DockResultFile_map">89 ··<map·id="BALL::DockResultFile_map"·name="BALL::DockResultFile_map">
90 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>90 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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423 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>423 <tr·class="separator:aa2e31799b270990fd18ca981b68229be·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
424 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>424 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
425 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>425 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
426 </table>426 </table>
427 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>427 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
428 <div·class="textblock"><p><a·class="el"·href="../../dd/d94/a03882.html">DockResultFile</a>·class.·Used·to·store·docking·results.·</p>428 <div·class="textblock"><p><a·class="el"·href="../../dd/d94/a03882.html">DockResultFile</a>·class.·Used·to·store·docking·results.·</p>
  
429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/ddf/a01238_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/ddf/a01238_source.html">dockResultFile.h</a>.</p>429 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">dockResultFile.h</a>.</p>
430 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>430 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
431 <a·id="a462536ec5e06492bb570a7d7b38feacd"·name="a462536ec5e06492bb570a7d7b38feacd"></a>431 <a·id="a462536ec5e06492bb570a7d7b38feacd"·name="a462536ec5e06492bb570a7d7b38feacd"></a>
432 <h2·class="memtitle"><span·class="permalink"><a·href="#a462536ec5e06492bb570a7d7b38feacd">&#9670;&#160;</a></span>DockResultFile()</h2>432 <h2·class="memtitle"><span·class="permalink"><a·href="#a462536ec5e06492bb570a7d7b38feacd">&#9670;&#160;</a></span>DockResultFile()</h2>
  
433 <div·class="memitem">433 <div·class="memitem">
434 <div·class="memproto">434 <div·class="memproto">
435 ······<table·class="memname">435 ······<table·class="memname">
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962 ··</td>962 ··</td>
963 ··<td·class="mlabels-right">963 ··<td·class="mlabels-right">
964 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>964 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
965 ··</tr>965 ··</tr>
966 </table>966 </table>
967 </div><div·class="memdoc">967 </div><div·class="memdoc">
  
968 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/ddf/a01238_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/ddf/a01238_source.html">dockResultFile.h</a>.</p>968 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d5b/a00905_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../da/d5b/a00905_source.html">dockResultFile.h</a>.</p>
  
969 </div>969 </div>
970 </div>970 </div>
971 </div><!--·contents·-->971 </div><!--·contents·-->
972 <!--·start·footer·part·-->972 <!--·start·footer·part·-->
973 <hr·class="footer"/><address·class="footer"><small>973 <hr·class="footer"/><address·class="footer"><small>
974 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8974 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
6 <meta·name="generator"·content="Doxygen·1.9.8"/>6 <meta·name="generator"·content="Doxygen·1.9.8"/>
7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·SDFile.h·File·Reference</title>8 <title>BALL:·stereoSettingsDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">SDFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">stereoSettingsDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d53/a01262_source.html">BALL/FORMAT/MOLFile.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_stereoSettingsDialog.h&gt;</code><br·/>
 84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../dd/d95/a01247_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/d95/a01247_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>89 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d8d/a04442.html">BALL::SDFile</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d4e/a07742.html">BALL::VIEW::StereoSettingsDialog</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
91 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>99 </table>
95 </div><!--·contents·-->100 </div><!--·contents·-->
96 <!--·start·footer·part·-->101 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../de/d07/a05271.html">List·of·all·members</a>··</div>78 <a·href="../../de/d07/a05271.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchParameters::EmpiricalBondData·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MMFF94StretchParameters::EmpiricalBondData·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a182b0028ad47bbcb9c3766b1ba4a321d"·id="r_a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#a182b0028ad47bbcb9c3766b1ba4a321d">kb</a></td></tr>86 <tr·class="memitem:a182b0028ad47bbcb9c3766b1ba4a321d"·id="r_a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#a182b0028ad47bbcb9c3766b1ba4a321d">kb</a></td></tr>
87 <tr·class="separator:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a182b0028ad47bbcb9c3766b1ba4a321d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:aa4324e5fb761843d42c4d91dba253fd0"·id="r_aa4324e5fb761843d42c4d91dba253fd0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#aa4324e5fb761843d42c4d91dba253fd0">r0</a></td></tr>88 <tr·class="memitem:aa4324e5fb761843d42c4d91dba253fd0"·id="r_aa4324e5fb761843d42c4d91dba253fd0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d95/a05274.html#aa4324e5fb761843d42c4d91dba253fd0">r0</a></td></tr>
89 <tr·class="separator:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:aa4324e5fb761843d42c4d91dba253fd0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00207">207</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00207">207</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a182b0028ad47bbcb9c3766b1ba4a321d"·name="a182b0028ad47bbcb9c3766b1ba4a321d"></a>95 <a·id="a182b0028ad47bbcb9c3766b1ba4a321d"·name="a182b0028ad47bbcb9c3766b1ba4a321d"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a182b0028ad47bbcb9c3766b1ba4a321d">&#9670;&#160;</a></span>kb</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a182b0028ad47bbcb9c3766b1ba4a321d">&#9670;&#160;</a></span>kb</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::kb</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::kb</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00209">209</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="aa4324e5fb761843d42c4d91dba253fd0"·name="aa4324e5fb761843d42c4d91dba253fd0"></a>108 <a·id="aa4324e5fb761843d42c4d91dba253fd0"·name="aa4324e5fb761843d42c4d91dba253fd0"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4324e5fb761843d42c4d91dba253fd0">&#9670;&#160;</a></span>r0</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#aa4324e5fb761843d42c4d91dba253fd0">&#9670;&#160;</a></span>r0</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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117 ······<table·class="memname">117 ······<table·class="memname">
118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::r0</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/d5d/a09194.html">double</a>·BALL::MMFF94StretchParameters::EmpiricalBondData::r0</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00210">210</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d7/dd3/a06247.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dd3/a06247.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::AromaticRing·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CHPISlick::AromaticRing·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMPONENTS/CHPISlick.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a334b6aa32b178ead4c15aed64cbf4fed"·id="r_a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#a334b6aa32b178ead4c15aed64cbf4fed">AromaticRing</a>·()</td></tr>86 <tr·class="memitem:a334b6aa32b178ead4c15aed64cbf4fed"·id="r_a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#a334b6aa32b178ead4c15aed64cbf4fed">AromaticRing</a>·()</td></tr>
87 <tr·class="separator:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a334b6aa32b178ead4c15aed64cbf4fed"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:abf63dbb78861601aa0f8c298a881e28f"·id="r_abf63dbb78861601aa0f8c298a881e28f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#abf63dbb78861601aa0f8c298a881e28f">AromaticRing</a>·(const·<a·class="el"·href="../../dd/d9a/a06250.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>88 <tr·class="memitem:abf63dbb78861601aa0f8c298a881e28f"·id="r_abf63dbb78861601aa0f8c298a881e28f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#abf63dbb78861601aa0f8c298a881e28f">AromaticRing</a>·(const·<a·class="el"·href="../../dd/d9a/a06250.html">AromaticRing</a>·&amp;aromatic_ring)</td></tr>
89 <tr·class="separator:abf63dbb78861601aa0f8c298a881e28f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:abf63dbb78861601aa0f8c298a881e28f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 <tr·class="separator:a4938e2e2b40395e507e87de80ab57ffc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a4938e2e2b40395e507e87de80ab57ffc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 <tr·class="memitem:ab7722ad82d1bbca260c2471b9579c26f"·id="r_ab7722ad82d1bbca260c2471b9579c26f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#ab7722ad82d1bbca260c2471b9579c26f">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>101 <tr·class="memitem:ab7722ad82d1bbca260c2471b9579c26f"·id="r_ab7722ad82d1bbca260c2471b9579c26f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9a/a06250.html#ab7722ad82d1bbca260c2471b9579c26f">dump</a>·(std::ostream·&amp;s=std::cout)·const</td></tr>
102 <tr·class="separator:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:ab7722ad82d1bbca260c2471b9579c26f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table>103 </table>
104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>104 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
105 <div·class="textblock"><p>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>105 <div·class="textblock"><p>A·class·for·storing·aromatic·rings·and·information·associated·with·them.·At·the·moment·we·only·need·the·ring·centres·and·the·atoms.·</p>
  
106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d93/a01955_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d4/d93/a01955_source.html">CHPISlick.h</a>.</p>106 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/deb/a02090_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d7/deb/a02090_source.html">CHPISlick.h</a>.</p>
107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>107 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
108 <a·id="a334b6aa32b178ead4c15aed64cbf4fed"·name="a334b6aa32b178ead4c15aed64cbf4fed"></a>108 <a·id="a334b6aa32b178ead4c15aed64cbf4fed"·name="a334b6aa32b178ead4c15aed64cbf4fed"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a334b6aa32b178ead4c15aed64cbf4fed">&#9670;&#160;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a334b6aa32b178ead4c15aed64cbf4fed">&#9670;&#160;</a></span>AromaticRing()·<span·class="overload">[1/3]</span></h2>
  
110 <div·class="memitem">110 <div·class="memitem">
111 <div·class="memproto">111 <div·class="memproto">
112 ······<table·class="memname">112 ······<table·class="memname">
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78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;79 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
80 <a·href="../../db/da6/a06395.html">List·of·all·members</a>··</div>80 <a·href="../../db/da6/a06395.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::GridedPLP·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::GridedPLP·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/d2d/a02018_source.html">BALL/SCORING/FUNCTIONS/gridedPLP.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d94/a02033_source.html">BALL/SCORING/FUNCTIONS/gridedPLP.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::GridedPLP:</div>86 Inheritance·diagram·for·BALL::GridedPLP:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../dd/d9c/a06398.png"·usemap="#BALL::GridedPLP_map"·alt=""/>89 ··<img·src="../../dd/d9c/a06398.png"·usemap="#BALL::GridedPLP_map"·alt=""/>
90 ··<map·id="BALL::GridedPLP_map"·name="BALL::GridedPLP_map">90 ··<map·id="BALL::GridedPLP_map"·name="BALL::GridedPLP_map">
91 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>91 <area·href="../../d8/d2f/a06122.html"·alt="BALL::DiffGridBasedScoring"·shape="rect"·coords="0,112,172,136"/>
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486 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>486 <tr·class="inherit_header·pub_static_attribs_a06166"><td·colspan="2"·onclick="javascript:toggleInherit('pub_static_attribs_a06166')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Public·Attributes·inherited·from·<a·class="el"·href="../../d0/d64/a06166.html">BALL::ScoringFunction</a></td></tr>
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491 <div·class="textblock"><p><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>491 <div·class="textblock"><p><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·using·a·grid-based·version·of·Piecewise·Linear·Potential·</p>
  
492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2d/a02018_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../da/d2d/a02018_source.html">gridedPLP.h</a>.</p>492 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d94/a02033_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d6/d94/a02033_source.html">gridedPLP.h</a>.</p>
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496 <div·class="memitem">496 <div·class="memitem">
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65 </div>65 </div>
66 </div>66 </div>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">MOPACOutputFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">generateCrystalDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;BALL/VIEW/UIC/ui_generateCrystalDialog.h&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d96/a00782_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dc/df1/a00662_source.html">BALL/XRAY/crystalGenerator.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
85 </div>87 </div>
86 <p><a·href="../../dd/d9e/a01226_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../dd/d9e/a01226_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 99 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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77 <a·href="#friends">Friends</a>·&#124;77 <a·href="#friends">Friends</a>·&#124;
78 <a·href="../../d3/d97/a05375.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d97/a05375.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ForceFieldParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d3/d8d/a02178.html">Force·Field·Parameters</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ForceFieldParameters:</div>84 Inheritance·diagram·for·BALL::ForceFieldParameters:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock"><p>Force·field·parameter·class.·</p>159 <div·class="textblock"><p>Force·field·parameter·class.·</p>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">forceFieldParameters.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">forceFieldParameters.h</a>.</p>
161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>161 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
162 <a·id="a4e9c680271a995dd014daf8bb1b8f937"·name="a4e9c680271a995dd014daf8bb1b8f937"></a>162 <a·id="a4e9c680271a995dd014daf8bb1b8f937"·name="a4e9c680271a995dd014daf8bb1b8f937"></a>
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406 </div>406 </div>
407 </div>407 </div>
408 <h2·class="groupheader">Member·Data·Documentation</h2>408 <h2·class="groupheader">Member·Data·Documentation</h2>
409 <a·id="a7b25814894943f636d9b33a1fa8e1804"·name="a7b25814894943f636d9b33a1fa8e1804"></a>409 <a·id="a7b25814894943f636d9b33a1fa8e1804"·name="a7b25814894943f636d9b33a1fa8e1804"></a>
410 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b25814894943f636d9b33a1fa8e1804">&#9670;&#160;</a></span>atom_types_</h2>410 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b25814894943f636d9b33a1fa8e1804">&#9670;&#160;</a></span>atom_types_</h2>
  
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424 ··</td>424 ··</td>
425 ··<td·class="mlabels-right">425 ··<td·class="mlabels-right">
426 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>426 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
427 ··</tr>427 ··</tr>
428 </table>428 </table>
429 </div><div·class="memdoc">429 </div><div·class="memdoc">
  
430 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d96/a01685_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../de/d96/a01685_source.html">forceFieldParameters.h</a>.</p>430 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">forceFieldParameters.h</a>.</p>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../df/d51/a05835.html">List·of·all·members</a>··</div>77 <a·href="../../df/d51/a05835.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::RegressionModel·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/d59/a01001_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::RegressionModel:</div>83 Inheritance·diagram·for·BALL::QSAR::RegressionModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/d9e/a05838.png"·usemap="#BALL::QSAR::RegressionModel_map"·alt=""/>86 ··<img·src="../../dd/d9e/a05838.png"·usemap="#BALL::QSAR::RegressionModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::RegressionModel_map"·name="BALL::QSAR::RegressionModel_map">87 ··<map·id="BALL::QSAR::RegressionModel_map"·name="BALL::QSAR::RegressionModel_map">
88 <area·href="../../d9/dc9/a05774.html"·alt="BALL::QSAR::Model"·shape="rect"·coords="518,0,706,24"/>88 <area·href="../../d9/dc9/a05774.html"·alt="BALL::QSAR::Model"·shape="rect"·coords="518,0,706,24"/>
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250 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>250 <tr·class="memitem:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"·id="r_a176571ffb47e2bd28ab17a4ef939daa7"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a176571ffb47e2bd28ab17a4ef939daa7">addLambda</a>·(Eigen::MatrixXd·&amp;matrix,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·&amp;lambda)</td></tr>
251 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>251 <tr·class="separator:a176571ffb47e2bd28ab17a4ef939daa7·inherit·pro_methods_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
252 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>252 <tr·class="memitem:aef95092d004daf6d41ee90f75b62575c·inherit·pro_methods_a05774"·id="r_aef95092d004daf6d41ee90f75b62575c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#aef95092d004daf6d41ee90f75b62575c">readDescriptorInformation</a>·()</td></tr>
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254 </table>254 </table>
255 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>255 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
256 <div·class="textblock">256 <div·class="textblock">
257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d59/a01001_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../df/d59/a01001_source.html">regressionModel.h</a>.</p>257 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
258 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>258 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
259 <a·id="af7019e8bbb41557c1a4ce133ed933b51"·name="af7019e8bbb41557c1a4ce133ed933b51"></a>259 <a·id="af7019e8bbb41557c1a4ce133ed933b51"·name="af7019e8bbb41557c1a4ce133ed933b51"></a>
260 <h2·class="memtitle"><span·class="permalink"><a·href="#af7019e8bbb41557c1a4ce133ed933b51">&#9670;&#160;</a></span>RegressionModel()</h2>260 <h2·class="memtitle"><span·class="permalink"><a·href="#af7019e8bbb41557c1a4ce133ed933b51">&#9670;&#160;</a></span>RegressionModel()</h2>
  
261 <div·class="memitem">261 <div·class="memitem">
262 <div·class="memproto">262 <div·class="memproto">
263 ······<table·class="memname">263 ······<table·class="memname">
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542 ··</td>542 ··</td>
543 ··<td·class="mlabels-right">543 ··<td·class="mlabels-right">
544 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>544 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
545 ··</tr>545 ··</tr>
546 </table>546 </table>
547 </div><div·class="memdoc">547 </div><div·class="memdoc">
  
548 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d59/a01001_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../df/d59/a01001_source.html">regressionModel.h</a>.</p>548 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00084">84</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
549 </div>549 </div>
550 </div>550 </div>
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552 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&#160;</a></span>Rescoring</h2>552 <h2·class="memtitle"><span·class="permalink"><a·href="#a338b8f006d4c2ed937a5fd3deed19b56">&#9670;&#160;</a></span>Rescoring</h2>
  
553 <div·class="memitem">553 <div·class="memitem">
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566 ··</td>566 ··</td>
567 ··<td·class="mlabels-right">567 ··<td·class="mlabels-right">
568 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>568 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
569 ··</tr>569 ··</tr>
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571 </div><div·class="memdoc">571 </div><div·class="memdoc">
  
572 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d59/a01001_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../df/d59/a01001_source.html">regressionModel.h</a>.</p>572 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
573 </div>573 </div>
574 </div>574 </div>
575 <h2·class="groupheader">Member·Data·Documentation</h2>575 <h2·class="groupheader">Member·Data·Documentation</h2>
576 <a·id="ae92d141e1f1167dc95b06e7c88370cfa"·name="ae92d141e1f1167dc95b06e7c88370cfa"></a>576 <a·id="ae92d141e1f1167dc95b06e7c88370cfa"·name="ae92d141e1f1167dc95b06e7c88370cfa"></a>
577 <h2·class="memtitle"><span·class="permalink"><a·href="#ae92d141e1f1167dc95b06e7c88370cfa">&#9670;&#160;</a></span>offsets_</h2>577 <h2·class="memtitle"><span·class="permalink"><a·href="#ae92d141e1f1167dc95b06e7c88370cfa">&#9670;&#160;</a></span>offsets_</h2>
  
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591 ··</td>591 ··</td>
592 ··<td·class="mlabels-right">592 ··<td·class="mlabels-right">
593 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>593 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
594 ··</tr>594 ··</tr>
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598 </div>598 </div>
599 </div>599 </div>
600 <a·id="a0980b65e05de59c28623277c77de8bb9"·name="a0980b65e05de59c28623277c77de8bb9"></a>600 <a·id="a0980b65e05de59c28623277c77de8bb9"·name="a0980b65e05de59c28623277c77de8bb9"></a>
601 <h2·class="memtitle"><span·class="permalink"><a·href="#a0980b65e05de59c28623277c77de8bb9">&#9670;&#160;</a></span>training_result_</h2>601 <h2·class="memtitle"><span·class="permalink"><a·href="#a0980b65e05de59c28623277c77de8bb9">&#9670;&#160;</a></span>training_result_</h2>
  
602 <div·class="memitem">602 <div·class="memitem">
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624 <a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·:·nxc·<br··/>624 <a·class="el"·href="../../db/dd1/a05730.html">KernelModel</a>·:·nxc·<br··/>
625 <a·class="el"·href="../../d3/ddd/a05594.html">ALLModel</a>·:·mxc·<br··/>625 <a·class="el"·href="../../d3/ddd/a05594.html">ALLModel</a>·:·mxc·<br··/>
626 FitModel·:·mxc·<br··/>626 FitModel·:·mxc·<br··/>
627 <a·class="el"·href="../../de/de4/a06106.html">SVMModel</a>·:·m·x·(c*no·of·classes)·<br··/>627 <a·class="el"·href="../../de/de4/a06106.html">SVMModel</a>·:·m·x·(c*no·of·classes)·<br··/>
628 <a·class="el"·href="../../d9/d59/a06110.html">SVRModel</a>·:·m·x·(c*no·of·classes)·<br··/>628 <a·class="el"·href="../../d9/d59/a06110.html">SVRModel</a>·:·m·x·(c*no·of·classes)·<br··/>
629 ·</p>629 ·</p>
  
630 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d59/a01001_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../df/d59/a01001_source.html">regressionModel.h</a>.</p>630 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/df8/a00440_source.html#l00067">67</a>·of·file·<a·class="el"·href="../../de/df8/a00440_source.html">regressionModel.h</a>.</p>
  
631 </div>631 </div>
632 </div>632 </div>
633 <a·id="a7adf57a2593402edba5fe16a918fd2e4"·name="a7adf57a2593402edba5fe16a918fd2e4"></a>633 <a·id="a7adf57a2593402edba5fe16a918fd2e4"·name="a7adf57a2593402edba5fe16a918fd2e4"></a>
634 <h2·class="memtitle"><span·class="permalink"><a·href="#a7adf57a2593402edba5fe16a918fd2e4">&#9670;&#160;</a></span>validation</h2>634 <h2·class="memtitle"><span·class="permalink"><a·href="#a7adf57a2593402edba5fe16a918fd2e4">&#9670;&#160;</a></span>validation</h2>
  
635 <div·class="memitem">635 <div·class="memitem">
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641 ········<tr>641 ········<tr>
642 ··········<td·class="memname"><a·class="el"·href="../../d2/d70/a05842.html">RegressionValidation</a>*·BALL::QSAR::RegressionModel::validation</td>642 ··········<td·class="memname"><a·class="el"·href="../../d2/d70/a05842.html">RegressionValidation</a>*·BALL::QSAR::RegressionModel::validation</td>
643 ········</tr>643 ········</tr>
644 ······</table>644 ······</table>
645 </div><div·class="memdoc">645 </div><div·class="memdoc">
646 <p>a·ModelValidation·object,·that·is·used·to·validate·this·model·and·that·will·contain·the·results·of·the·validations·</p>646 <p>a·ModelValidation·object,·that·is·used·to·validate·this·model·and·that·will·contain·the·results·of·the·validations·</p>
  
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d6/d5b/a04003.html">List·of·all·members</a>··</div>77 <a·href="../../d6/d5b/a04003.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::MOPACInputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::MOPACInputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d34/a01298_source.html">BALL/FORMAT/MOPACInputFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d46/a00890_source.html">BALL/FORMAT/MOPACInputFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::MOPACInputFile:</div>83 Inheritance·diagram·for·BALL::MOPACInputFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/da0/a04006.png"·usemap="#BALL::MOPACInputFile_map"·alt=""/>86 ··<img·src="../../dd/da0/a04006.png"·usemap="#BALL::MOPACInputFile_map"·alt=""/>
87 ··<map·id="BALL::MOPACInputFile_map"·name="BALL::MOPACInputFile_map">87 ··<map·id="BALL::MOPACInputFile_map"·name="BALL::MOPACInputFile_map">
88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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395 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>395 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
396 </table>396 </table>
397 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>397 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
398 <div·class="textblock"><p>MOPAC·input·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·input·files.·<br··/>398 <div·class="textblock"><p>MOPAC·input·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·input·files.·<br··/>
399 ·</p>399 ·</p>
  
400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">MOPACInputFile.h</a>.</p>400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">MOPACInputFile.h</a>.</p>
401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
402 <a·id="a73f4dce02f2a786af18426ba63ba2960"·name="a73f4dce02f2a786af18426ba63ba2960"></a>402 <a·id="a73f4dce02f2a786af18426ba63ba2960"·name="a73f4dce02f2a786af18426ba63ba2960"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a73f4dce02f2a786af18426ba63ba2960">&#9670;&#160;</a></span>MOPACInputFile()·<span·class="overload">[1/2]</span></h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a73f4dce02f2a786af18426ba63ba2960">&#9670;&#160;</a></span>MOPACInputFile()·<span·class="overload">[1/2]</span></h2>
  
404 <div·class="memitem">404 <div·class="memitem">
405 <div·class="memproto">405 <div·class="memproto">
406 ······<table·class="memname">406 ······<table·class="memname">
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626 ··</td>626 ··</td>
627 ··<td·class="mlabels-right">627 ··<td·class="mlabels-right">
628 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>628 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
629 ··</tr>629 ··</tr>
630 </table>630 </table>
631 </div><div·class="memdoc">631 </div><div·class="memdoc">
  
632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d34/a01298_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d4/d34/a01298_source.html">MOPACInputFile.h</a>.</p>632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d46/a00890_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d7/d46/a00890_source.html">MOPACInputFile.h</a>.</p>
  
633 </div>633 </div>
634 </div>634 </div>
635 </div><!--·contents·-->635 </div><!--·contents·-->
636 <!--·start·footer·part·-->636 <!--·start·footer·part·-->
637 <hr·class="footer"/><address·class="footer"><small>637 <hr·class="footer"/><address·class="footer"><small>
638 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8638 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d9/df1/a04179.html">List·of·all·members</a>··</div>78 <a·href="../../d9/df1/a04179.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEND·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordEND·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:ac985fbb01e666f49e21eb3ac16940460"·id="r_ac985fbb01e666f49e21eb3ac16940460"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ac985fbb01e666f49e21eb3ac16940460">record_type</a></td></tr>86 <tr·class="memitem:ac985fbb01e666f49e21eb3ac16940460"·id="r_ac985fbb01e666f49e21eb3ac16940460"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ac985fbb01e666f49e21eb3ac16940460">record_type</a></td></tr>
87 <tr·class="separator:ac985fbb01e666f49e21eb3ac16940460"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ac985fbb01e666f49e21eb3ac16940460"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ad9ede8358c9046aed1effa39519253bf"·id="r_ad9ede8358c9046aed1effa39519253bf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ad9ede8358c9046aed1effa39519253bf">record_name</a></td></tr>88 <tr·class="memitem:ad9ede8358c9046aed1effa39519253bf"·id="r_ad9ede8358c9046aed1effa39519253bf"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/da0/a04182.html#ad9ede8358c9046aed1effa39519253bf">record_name</a></td></tr>
89 <tr·class="separator:ad9ede8358c9046aed1effa39519253bf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ad9ede8358c9046aed1effa39519253bf"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00620">620</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00620">620</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="ad9ede8358c9046aed1effa39519253bf"·name="ad9ede8358c9046aed1effa39519253bf"></a>95 <a·id="ad9ede8358c9046aed1effa39519253bf"·name="ad9ede8358c9046aed1effa39519253bf"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9ede8358c9046aed1effa39519253bf">&#9670;&#160;</a></span>record_name</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9ede8358c9046aed1effa39519253bf">&#9670;&#160;</a></span>record_name</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordEND::record_name</td>101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordEND::record_name</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00623">623</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00623">623</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="ac985fbb01e666f49e21eb3ac16940460"·name="ac985fbb01e666f49e21eb3ac16940460"></a>108 <a·id="ac985fbb01e666f49e21eb3ac16940460"·name="ac985fbb01e666f49e21eb3ac16940460"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#ac985fbb01e666f49e21eb3ac16940460">&#9670;&#160;</a></span>record_type</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#ac985fbb01e666f49e21eb3ac16940460">&#9670;&#160;</a></span>record_type</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEND::record_type</td>119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordEND::record_type</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00622">622</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00622">622</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/dbb/a08207.html">List·of·all·members</a>··</div>77 <a·href="../../dd/dbb/a08207.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TwoColoredLine·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d2a/a00632_source.html">BALL/VIEW/PRIMITIVES/twoColoredLine.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d25/a01406_source.html">BALL/VIEW/PRIMITIVES/twoColoredLine.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::TwoColoredLine:</div>83 Inheritance·diagram·for·BALL::VIEW::TwoColoredLine:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/da2/a08210.png"·usemap="#BALL::VIEW::TwoColoredLine_map"·alt=""/>86 ··<img·src="../../dd/da2/a08210.png"·usemap="#BALL::VIEW::TwoColoredLine_map"·alt=""/>
87 ··<map·id="BALL::VIEW::TwoColoredLine_map"·name="BALL::VIEW::TwoColoredLine_map">87 ··<map·id="BALL::VIEW::TwoColoredLine_map"·name="BALL::VIEW::TwoColoredLine_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,180,24"/>
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252 <li>color2·-·the·color·for·the·second·vertex·of·the·line</li>252 <li>color2·-·the·color·for·the·second·vertex·of·the·line</li>
253 <li>vertex1·-·the·first·vertex·of·the·line</li>253 <li>vertex1·-·the·first·vertex·of·the·line</li>
254 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·a·line·that·is·half·colored·in·the·color·1·and·in·color·2.·The·line·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>254 <li>vertex2·-·the·second·vertex·of·the·line·<dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·a·line·that·is·half·colored·in·the·color·1·and·in·color·2.·The·line·is·exactly·divided·in·the·middle.·One·half·(starting·from·vertex1·til·middle·vertex)·is·colored·by·the·color1·and·the·other·half·(starting·from·middle·vertex·to·vertex2)·is·colored·by·color2.·The·class·<a·class="el"·href="../../dd/da2/a08210.html">TwoColoredLine</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>,·<a·class="el"·href="../../d6/d89/a07446.html">ColorExtension2</a>·and·<a·class="el"·href="../../d6/d83/a07514.html">Vertex2</a>.·See·these·classes·for·further·information·concerning·interface·and·additional·methods.·</dd></dl>
255 <dl·class="section·user"><dt></dt><dd></dd></dl>255 <dl·class="section·user"><dt></dt><dd></dd></dl>
256 </li>256 </li>
257 </ul>257 </ul>
  
258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d2a/a00632_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d4/d2a/a00632_source.html">twoColoredLine.h</a>.</p>258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d25/a01406_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dc/d25/a01406_source.html">twoColoredLine.h</a>.</p>
259 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>259 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
260 <a·id="a68e975ca75c53c63cb30ae19ebf5753b"·name="a68e975ca75c53c63cb30ae19ebf5753b"></a>260 <a·id="a68e975ca75c53c63cb30ae19ebf5753b"·name="a68e975ca75c53c63cb30ae19ebf5753b"></a>
261 <h2·class="memtitle"><span·class="permalink"><a·href="#a68e975ca75c53c63cb30ae19ebf5753b">&#9670;&#160;</a></span>TwoColoredLine()·<span·class="overload">[1/2]</span></h2>261 <h2·class="memtitle"><span·class="permalink"><a·href="#a68e975ca75c53c63cb30ae19ebf5753b">&#9670;&#160;</a></span>TwoColoredLine()·<span·class="overload">[1/2]</span></h2>
  
262 <div·class="memitem">262 <div·class="memitem">
263 <div·class="memproto">263 <div·class="memproto">
264 ······<table·class="memname">264 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d5/dac/a08455.html">List·of·all·members</a>··</div>79 <a·href="../../d5/dac/a08455.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BoolEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::BoolEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::BoolEditorWidget:</div>85 Inheritance·diagram·for·BALL::VIEW::BoolEditorWidget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dd/da3/a08458.png"·usemap="#BALL::VIEW::BoolEditorWidget_map"·alt=""/>88 ··<img·src="../../dd/da3/a08458.png"·usemap="#BALL::VIEW::BoolEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::BoolEditorWidget_map"·name="BALL::VIEW::BoolEditorWidget_map">89 ··<map·id="BALL::VIEW::BoolEditorWidget_map"·name="BALL::VIEW::BoolEditorWidget_map">
90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,184,80"/>
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138 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>138 <tr·class="memitem:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"·id="r_a46403e234f863163cb9af4c8641d036b"><td·class="memItemLeft"·align="right"·valign="top">QString&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a46403e234f863163cb9af4c8641d036b">name_</a></td></tr>
139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a2f3b049556910b721cd3b1fdc10ae1bd"·name="a2f3b049556910b721cd3b1fdc10ae1bd"></a>147 <a·id="a2f3b049556910b721cd3b1fdc10ae1bd"·name="a2f3b049556910b721cd3b1fdc10ae1bd"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f3b049556910b721cd3b1fdc10ae1bd">&#9670;&#160;</a></span>BoolEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a2f3b049556910b721cd3b1fdc10ae1bd">&#9670;&#160;</a></span>BoolEditorWidget()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/d2f/a06207.html">List·of·all·members</a>··</div>78 <a·href="../../d3/d2f/a06207.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BurialDepth·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BurialDepth·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/da1/a01976_source.html">BALL/SCORING/COMPONENTS/burialDepth.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/db2/a02036_source.html">BALL/SCORING/COMPONENTS/burialDepth.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::BurialDepth:</div>84 Inheritance·diagram·for·BALL::BurialDepth:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dd/dab/a06210.png"·usemap="#BALL::BurialDepth_map"·alt=""/>87 ··<img·src="../../dd/dab/a06210.png"·usemap="#BALL::BurialDepth_map"·alt=""/>
88 ··<map·id="BALL::BurialDepth_map"·name="BALL::BurialDepth_map">88 ··<map·id="BALL::BurialDepth_map"·name="BALL::BurialDepth_map">
89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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182 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>182 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
183 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>183 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
184 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>184 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
185 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock">188 <div·class="textblock">
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/da1/a01976_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d9/da1/a01976_source.html">burialDepth.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db2/a02036_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../d7/db2/a02036_source.html">burialDepth.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="a5ab33214ce9ba10facba845ba93d690a"·name="a5ab33214ce9ba10facba845ba93d690a"></a>191 <a·id="a5ab33214ce9ba10facba845ba93d690a"·name="a5ab33214ce9ba10facba845ba93d690a"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ab33214ce9ba10facba845ba93d690a">&#9670;&#160;</a></span>BurialDepth()</h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ab33214ce9ba10facba845ba93d690a">&#9670;&#160;</a></span>BurialDepth()</h2>
  
193 <div·class="memitem">193 <div·class="memitem">
194 <div·class="memproto">194 <div·class="memproto">
195 ······<table·class="memname">195 ······<table·class="memname">
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3 <head>3 <head>
4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>4 <meta·http-equiv="Content-Type"·content="text/xhtml;charset=UTF-8"/>
5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>5 <meta·http-equiv="X-UA-Compatible"·content="IE=11"/>
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·CIFFile.h·File·Reference</title>8 <title>BALL:·snapShotVisualisation.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">CIFFile.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">snapShotVisualisation.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../db/db6/a00074_source.html">BALL/DATATYPE/stringHashMap.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/UIC/ui_snapShotVisualisation.h&gt;</code><br·/>
85 <code>#include·&lt;map&gt;</code><br·/>84 <code>#include·&lt;QtWidgets/QDialog&gt;</code><br·/>
86 </div>85 </div>
87 <p><a·href="../../dd/dad/a01235_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/dad/a01235_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">87 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>89 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d2a/a03850.html">BALL::CIFFile</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d4c/a07734.html">BALL::VIEW::SnapshotVisualisationDialog</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d83/a03854.html">BALL::CIFFile::Item</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d61/a03858.html">BALL::CIFFile::SaveFrame</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d31/a03862.html">BALL::CIFFile::Datacontent</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d06/a03866.html">BALL::CIFFile::Datablock</a></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/db8/a03870.html">BALL::CIFFile::State</a></td></tr> 
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 </table><table·class="memberdecls">92 </table><table·class="memberdecls">
104 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
105 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
106 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
108 </table><table·class="memberdecls"> 
109 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
110 Macros</h2></td></tr> 
111 <tr·class="memitem:ab45d0e74c5682e547513a407ac99df80"·id="r_ab45d0e74c5682e547513a407ac99df80"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dad/a01235.html#ab45d0e74c5682e547513a407ac99df80">CIFPARSER_LINE_LENGTH</a>&#160;&#160;&#160;2550</td></tr> 
112 <tr·class="separator:ab45d0e74c5682e547513a407ac99df80"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
113 </table>99 </table>
114 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
115 <a·id="ab45d0e74c5682e547513a407ac99df80"·name="ab45d0e74c5682e547513a407ac99df80"></a> 
116 <h2·class="memtitle"><span·class="permalink"><a·href="#ab45d0e74c5682e547513a407ac99df80">&#9670;&#160;</a></span>CIFPARSER_LINE_LENGTH</h2> 
  
117 <div·class="memitem"> 
118 <div·class="memproto"> 
119 ······<table·class="memname"> 
120 ········<tr> 
121 ··········<td·class="memname">#define·CIFPARSER_LINE_LENGTH&#160;&#160;&#160;2550</td> 
122 ········</tr> 
123 ······</table> 
124 </div><div·class="memdoc"> 
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/dad/a01235_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../dd/dad/a01235_source.html">CIFFile.h</a>.</p> 
  
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127 </div> 
128 </div><!--·contents·-->100 </div><!--·contents·-->
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130 <hr·class="footer"/><address·class="footer"><small>102 <hr·class="footer"/><address·class="footer"><small>
131 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../db/d46/a07399.html">List·of·all·members</a>··</div>79 <a·href="../../db/d46/a07399.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TCPServer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TCPServer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/SYSTEM/networking.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::TCPServer:</div>85 Inheritance·diagram·for·BALL::TCPServer:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dd/db0/a07402.png"·usemap="#BALL::TCPServer_map"·alt=""/>88 ··<img·src="../../dd/db0/a07402.png"·usemap="#BALL::TCPServer_map"·alt=""/>
89 ··<map·id="BALL::TCPServer_map"·name="BALL::TCPServer_map">89 ··<map·id="BALL::TCPServer_map"·name="BALL::TCPServer_map">
90 <area·href="../../d4/d87/a07406.html"·alt="BALL::TCPServerThread"·shape="rect"·coords="0,56,267,80"/>90 <area·href="../../d4/d87/a07406.html"·alt="BALL::TCPServerThread"·shape="rect"·coords="0,56,267,80"/>
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128 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:acc4a0792f3c40c7ff81093c18bd121e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>This·class·provides·a·base·for·very·simple·TCP-based·servers.</p>131 <div·class="textblock"><p>This·class·provides·a·base·for·very·simple·TCP-based·servers.</p>
132 <p>By·default,·the·server·handles·only·one·connection.·The·first·request·is·accepted·and·converted·into·a·<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>.·If·restart_·is·set·to·true·(default),·the·server·listens·again·after·the·connection·has·been·terminated.</p>132 <p>By·default,·the·server·handles·only·one·connection.·The·first·request·is·accepted·and·converted·into·a·<a·class="el"·href="../../d6/d49/a07398.html">TCPIOStream</a>.·If·restart_·is·set·to·true·(default),·the·server·listens·again·after·the·connection·has·been·terminated.</p>
133 <p>Note·that·the·server·is·not·automatically·started·but·rather·waits·for·a·call·to·"run".·</p>133 <p>Note·that·the·server·is·not·automatically·started·but·rather·waits·for·a·call·to·"run".·</p>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="ab3cbb4a59ae00af290ee6f2ffdba6c9a"·name="ab3cbb4a59ae00af290ee6f2ffdba6c9a"></a>136 <a·id="ab3cbb4a59ae00af290ee6f2ffdba6c9a"·name="ab3cbb4a59ae00af290ee6f2ffdba6c9a"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3cbb4a59ae00af290ee6f2ffdba6c9a">&#9670;&#160;</a></span>TCPServer()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3cbb4a59ae00af290ee6f2ffdba6c9a">&#9670;&#160;</a></span>TCPServer()</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 <table·class="mlabels">140 <table·class="mlabels">
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164 ··</td>164 ··</td>
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166 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>166 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
167 ··</tr>167 ··</tr>
168 </table>168 </table>
169 </div><div·class="memdoc">169 </div><div·class="memdoc">
  
170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>170 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
171 </div>171 </div>
172 </div>172 </div>
173 <a·id="accb081287d8435a6a102cbc01ff359b0"·name="accb081287d8435a6a102cbc01ff359b0"></a>173 <a·id="accb081287d8435a6a102cbc01ff359b0"·name="accb081287d8435a6a102cbc01ff359b0"></a>
174 <h2·class="memtitle"><span·class="permalink"><a·href="#accb081287d8435a6a102cbc01ff359b0">&#9670;&#160;</a></span>~TCPServer()</h2>174 <h2·class="memtitle"><span·class="permalink"><a·href="#accb081287d8435a6a102cbc01ff359b0">&#9670;&#160;</a></span>~TCPServer()</h2>
  
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379 ··</td>379 ··</td>
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382 ··</tr>382 ··</tr>
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390 <div·class="memitem">390 <div·class="memitem">
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403 ··</td>403 ··</td>
404 ··<td·class="mlabels-right">404 ··<td·class="mlabels-right">
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406 ··</tr>406 ··</tr>
407 </table>407 </table>
408 </div><div·class="memdoc">408 </div><div·class="memdoc">
  
409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00085">85</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
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427 ··</td>427 ··</td>
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430 ··</tr>430 ··</tr>
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434 </div>434 </div>
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454 ··</tr>454 ··</tr>
455 </table>455 </table>
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457 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>457 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00082">82</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
458 </div>458 </div>
459 </div>459 </div>
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461 <h2·class="memtitle"><span·class="permalink"><a·href="#a32a6ea35d92a286181e3a9d3a89abeb5">&#9670;&#160;</a></span>restart_</h2>461 <h2·class="memtitle"><span·class="permalink"><a·href="#a32a6ea35d92a286181e3a9d3a89abeb5">&#9670;&#160;</a></span>restart_</h2>
  
462 <div·class="memitem">462 <div·class="memitem">
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475 ··</td>475 ··</td>
476 ··<td·class="mlabels-right">476 ··<td·class="mlabels-right">
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478 ··</tr>478 ··</tr>
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480 </div><div·class="memdoc">480 </div><div·class="memdoc">
  
481 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">networking.h</a>.</p>481 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dce/a00740_source.html#l00083">83</a>·of·file·<a·class="el"·href="../../dc/dce/a00740_source.html">networking.h</a>.</p>
  
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8 <title>BALL:·plane3.h·File·Reference</title>8 <title>BALL:·solvation.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">plane3.h·File·Reference</div></div>75 ··<div·class="headertitle"><div·class="title">solvation.h·File·Reference</div></div>
79 </div><!--header-->76 </div><!--header-->
80 <div·class="contents">77 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;cmath&gt;</code><br·/> 
82 <code>#include·&lt;iostream&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dc/dce/a00740_source.html">BALL/MATHS/line3.h</a>&gt;</code><br·/>78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/dce/a01946_source.html">BALL/SOLVATION/poissonBoltzmann.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../d7/da8/a20377_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/> 
86 </div>79 </div>
87 <p><a·href="../../dd/db2/a00737_source.html">Go·to·the·source·code·of·this·file.</a></p>80 <p><a·href="../../dd/db2/a00737_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls"> 
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
90 Classes</h2></td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d58/a04886.html">BALL::TPlane3&lt;·T·&gt;</a></td></tr> 
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93 </table><table·class="memberdecls"> 
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103 <tr·class="memitem:ga5fec0b96f2519d2b1f62607835f6038f"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga5fec0b96f2519d2b1f62607835f6038f">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../d1/d58/a04886.html">TPlane3</a>&lt;·T·&gt;·&amp;plane)</td></tr> 
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106 <tr·class="memitem:ga301e0136e191362e320922cb113d9505"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga301e0136e191362e320922cb113d9505">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d1/d58/a04886.html">TPlane3</a>&lt;·T·&gt;·&amp;plane)</td></tr> 
107 <tr·class="separator:ga301e0136e191362e320922cb113d9505"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 </table> 
109 </div><!--·contents·-->81 </div><!--·contents·-->
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8 <title>BALL:·expressionTree.h·File·Reference</title>8 <title>BALL:·baseFunctor.h·File·Reference</title>
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10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">expressionTree.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">baseFunctor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d41/a00881_source.html">BALL/KERNEL/expressionPredicate.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../dd/db2/a00866_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../dd/db2/a00866_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>86 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d1c/a04522.html">BALL::ExpressionTree</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html">BALL::UnaryFunctor&lt;·ArgumentType,·ResultType·&gt;</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/dd5/a03214.html">BALL::BinaryFunctor&lt;·FirstArgumentType,·SecondArgumentType,·ResultType·&gt;</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/dbb/a07943.html">List·of·all·members</a>··</div>78 <a·href="../../df/dbb/a07943.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::NotCompositeObject·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ServerWidget::NotCompositeObject·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/db1/a00200_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d71/a01055_source.html">BALL/VIEW/KERNEL/serverWidget.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ServerWidget::NotCompositeObject:</div>84 Inheritance·diagram·for·BALL::VIEW::ServerWidget::NotCompositeObject:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../dd/db3/a07946.png"·usemap="#BALL::VIEW::ServerWidget::NotCompositeObject_map"·alt=""/>87 ··<img·src="../../dd/db3/a07946.png"·usemap="#BALL::VIEW::ServerWidget::NotCompositeObject_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ServerWidget::NotCompositeObject_map"·name="BALL::VIEW::ServerWidget::NotCompositeObject_map">88 ··<map·id="BALL::VIEW::ServerWidget::NotCompositeObject_map"·name="BALL::VIEW::ServerWidget::NotCompositeObject_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,283,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,283,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../dd/db3/a07946.html">NotCompositeObject</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·was·received·that·was·not·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../dd/db3/a07946.html">NotCompositeObject</a>·<a·class="el"·href="../../de/d59/a02219.html">Exception</a>·class.·This·exeption·will·be·thrown·if·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·was·received·that·was·not·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·object.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html#a398de7f7a5d657c9a635f52d13a38c6d"·title="Default·constructor.">GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/db1/a00200_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d3/db1/a00200_source.html">serverWidget.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d71/a01055_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d2/d71/a01055_source.html">serverWidget.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="af084265fc1ebf5162d91467353fb3e2b"·name="af084265fc1ebf5162d91467353fb3e2b"></a>147 <a·id="af084265fc1ebf5162d91467353fb3e2b"·name="af084265fc1ebf5162d91467353fb3e2b"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#af084265fc1ebf5162d91467353fb3e2b">&#9670;&#160;</a></span>NotCompositeObject()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#af084265fc1ebf5162d91467353fb3e2b">&#9670;&#160;</a></span>NotCompositeObject()</h2>
  
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8 <title>BALL:·helpViewer.h·File·Reference</title>8 <title>BALL:·snBModel.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>15 <link·href="../../doxygen.css"·rel="stylesheet"·type="text/css"·/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">helpViewer.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">snBModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;QtWidgets/QTextBrowser&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../dd/d63/a00455_source.html">BALL/QSAR/statistics.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d0/dc4/a00443_source.html">BALL/QSAR/bayesModel.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../dd/db5/a00365_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/db5/a00365_source.html">Go·to·the·source·code·of·this·file.</a></p>
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87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/df7/a08402.html">BALL::VIEW::MyTextBrowser</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d8f/a08406.html">BALL::VIEW::HelpViewer</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d0f/a06034.html">BALL::QSAR::SNBModel</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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94 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>98 </table>
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102 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
103 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d01/a03375.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d01/a03375.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TimeStamp·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TimeStamp·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/dbc/a01391_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d2d/a00815_source.html">BALL/CONCEPT/timeStamp.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:ae5f4b735765638b5ddd2cfd840749931"·id="r_ae5f4b735765638b5ddd2cfd840749931"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#ae5f4b735765638b5ddd2cfd840749931">TimeStamp</a>·()</td></tr>86 <tr·class="memitem:ae5f4b735765638b5ddd2cfd840749931"·id="r_ae5f4b735765638b5ddd2cfd840749931"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#ae5f4b735765638b5ddd2cfd840749931">TimeStamp</a>·()</td></tr>
87 <tr·class="separator:ae5f4b735765638b5ddd2cfd840749931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:ae5f4b735765638b5ddd2cfd840749931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a4a53377b72461a0d27b788b032133e8f"·id="r_a4a53377b72461a0d27b788b032133e8f"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4a53377b72461a0d27b788b032133e8f">~TimeStamp</a>·()</td></tr>88 <tr·class="memitem:a4a53377b72461a0d27b788b032133e8f"·id="r_a4a53377b72461a0d27b788b032133e8f"><td·class="memItemLeft"·align="right"·valign="top">virtual&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4a53377b72461a0d27b788b032133e8f">~TimeStamp</a>·()</td></tr>
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117 <tr·class="separator:a1243acadfd7815ccab4fc969d49a96a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>117 <tr·class="separator:a1243acadfd7815ccab4fc969d49a96a5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
118 <tr·class="memitem:a4ce61268e6ff4724a12ad899d94cd39c"·id="r_a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4ce61268e6ff4724a12ad899d94cd39c">read</a>·(<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager</a>·&amp;pm)</td></tr>118 <tr·class="memitem:a4ce61268e6ff4724a12ad899d94cd39c"·id="r_a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dbb/a03378.html#a4ce61268e6ff4724a12ad899d94cd39c">read</a>·(<a·class="el"·href="../../d7/d2e/a03310.html">PersistenceManager</a>·&amp;pm)</td></tr>
119 <tr·class="separator:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>119 <tr·class="separator:a4ce61268e6ff4724a12ad899d94cd39c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
120 </table>120 </table>
121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>121 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
122 <div·class="textblock"><p>Time·stamp·concept.·This·class·implements·a·so-called·time·stamp.·It·is·used·to·store·modification·or·creation·times·of·objects.·<b>Interface:</b>·<code>Storable</code>·</p><dl·class="section·user"><dt></dt><dd></dd></dl>122 <div·class="textblock"><p>Time·stamp·concept.·This·class·implements·a·so-called·time·stamp.·It·is·used·to·store·modification·or·creation·times·of·objects.·<b>Interface:</b>·<code>Storable</code>·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>124 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
125 <a·id="ae5f4b735765638b5ddd2cfd840749931"·name="ae5f4b735765638b5ddd2cfd840749931"></a>125 <a·id="ae5f4b735765638b5ddd2cfd840749931"·name="ae5f4b735765638b5ddd2cfd840749931"></a>
126 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5f4b735765638b5ddd2cfd840749931">&#9670;&#160;</a></span>TimeStamp()</h2>126 <h2·class="memtitle"><span·class="permalink"><a·href="#ae5f4b735765638b5ddd2cfd840749931">&#9670;&#160;</a></span>TimeStamp()</h2>
  
127 <div·class="memitem">127 <div·class="memitem">
128 <div·class="memproto">128 <div·class="memproto">
129 ······<table·class="memname">129 ······<table·class="memname">
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425 ··<td·class="mlabels-right">425 ··<td·class="mlabels-right">
426 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>426 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
427 ··</tr>427 ··</tr>
428 </table>428 </table>
429 </div><div·class="memdoc">429 </div><div·class="memdoc">
430 <p>The·time·stamp.·</p>430 <p>The·time·stamp.·</p>
  
431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dbc/a01391_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../dc/dbc/a01391_source.html">timeStamp.h</a>.</p>431 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d2d/a00815_source.html#l00272">272</a>·of·file·<a·class="el"·href="../../d8/d2d/a00815_source.html">timeStamp.h</a>.</p>
  
432 </div>432 </div>
433 </div>433 </div>
434 </div><!--·contents·-->434 </div><!--·contents·-->
435 <!--·start·footer·part·-->435 <!--·start·footer·part·-->
436 <hr·class="footer"/><address·class="footer"><small>436 <hr·class="footer"/><address·class="footer"><small>
437 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8437 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·common.h·File·Reference</title>8 <title>BALL:·line3.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
 77 <a·href="#namespaces">Namespaces</a>··</div>
75 ··<div·class="headertitle"><div·class="title">common.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">line3.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/> 
79 <code>#include·&lt;<a·class="el"·href="../../dc/d19/a01190_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../d6/df2/a01175_source.html">BALL/COMMON/create.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
81 <code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/COMMON/version.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d61/a01205_source.html">BALL/COMMON/macros.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d4/d5d/a01202_source.html">BALL/COMMON/logStream.h</a>&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../dd/dc1/a00212_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dd/dc1/a00212_source.html">Go·to·the·source·code·of·this·file.</a></p>
 85 <table·class="memberdecls">
 86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
 87 Classes</h2></td></tr>
 88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/daa/a04862.html">BALL::TLine3&lt;·T·&gt;</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 </table><table·class="memberdecls">
 91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
 92 Namespaces</h2></td></tr>
 93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
 94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 </table><table·class="memberdecls">
 96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr>
 97 <tr·class="memitem:ga3777f89390952c2d8e760c1d84df8d5f"·id="r_ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga3777f89390952c2d8e760c1d84df8d5f">BALL::Line3</a></td></tr>
 98 <tr·class="separator:ga3777f89390952c2d8e760c1d84df8d5f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 99 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"·id="r_ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 100 <tr·class="memitem:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga723eeb0a794fb25edf492bd37bf78243">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;·T·&gt;·&amp;line)</td></tr>
 101 <tr·class="separator:ga723eeb0a794fb25edf492bd37bf78243"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"·id="r_gac5568e56795faccf490a92f96a120407"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr>
 103 <tr·class="memitem:gac5568e56795faccf490a92f96a120407"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gac5568e56795faccf490a92f96a120407">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../d5/daa/a04862.html">TLine3</a>&lt;·T·&gt;·&amp;line)</td></tr>
 104 <tr·class="separator:gac5568e56795faccf490a92f96a120407"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 105 </table>
87 </div><!--·contents·-->106 </div><!--·contents·-->
88 <!--·start·footer·part·-->107 <!--·start·footer·part·-->
89 <hr·class="footer"/><address·class="footer"><small>108 <hr·class="footer"/><address·class="footer"><small>
90 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
91 </small></address>110 </small></address>
92 </body>111 </body>
93 </html>112 </html>
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../de/d9e/a04459.html">List·of·all·members</a>··</div>77 <a·href="../../de/d9e/a04459.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::XYZFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::XYZFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/FORMAT/XYZFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/FORMAT/XYZFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::XYZFile:</div>83 Inheritance·diagram·for·BALL::XYZFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/dc6/a04462.png"·usemap="#BALL::XYZFile_map"·alt=""/>86 ··<img·src="../../dd/dc6/a04462.png"·usemap="#BALL::XYZFile_map"·alt=""/>
87 ··<map·id="BALL::XYZFile_map"·name="BALL::XYZFile_map">87 ··<map·id="BALL::XYZFile_map"·name="BALL::XYZFile_map">
88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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392 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>392 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
393 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>393 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
394 </table>394 </table>
395 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>395 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
396 <div·class="textblock"><p>XYZ·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·XMol·XYZ·files.·The·XYZ·format·is·a·very·simple·molecular·file·format.·In·general·it·contains·only·the·atom·type·(i.e.,·the·element)·and·the·cartesian·coordinates·of·the·structure.·Newer·versions·of·this·file·format·also·contain·bonds·(without·bond·order)·and·atom·names.</p><dl·class="section·user"><dt></dt><dd>The·first·line·of·each·XYZ·file·contains·a·single·integer·number:·the·number·of·atoms·in·the·file.·The·second·line·is·just·a·comment·line.·When·reading·a·XYZ·file,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·stores·this·comment·as·the·name·attribute·of·the·system·read.·Similarly,·on·writing·the·system,·it's·name·is·written·to·this·comment·line.·All·remaining·lines·contain·the·element·symbol·and·the·three·coordinates·in·free·format.·</dd></dl>396 <div·class="textblock"><p>XYZ·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·XMol·XYZ·files.·The·XYZ·format·is·a·very·simple·molecular·file·format.·In·general·it·contains·only·the·atom·type·(i.e.,·the·element)·and·the·cartesian·coordinates·of·the·structure.·Newer·versions·of·this·file·format·also·contain·bonds·(without·bond·order)·and·atom·names.</p><dl·class="section·user"><dt></dt><dd>The·first·line·of·each·XYZ·file·contains·a·single·integer·number:·the·number·of·atoms·in·the·file.·The·second·line·is·just·a·comment·line.·When·reading·a·XYZ·file,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·stores·this·comment·as·the·name·attribute·of·the·system·read.·Similarly,·on·writing·the·system,·it's·name·is·written·to·this·comment·line.·All·remaining·lines·contain·the·element·symbol·and·the·three·coordinates·in·free·format.·</dd></dl>
397 <dl·class="section·user"><dt></dt><dd></dd></dl>397 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">XYZFile.h</a>.</p>398 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">XYZFile.h</a>.</p>
399 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>399 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
400 <a·id="a9db672ddf5fc263305d9a0e35a756f2f"·name="a9db672ddf5fc263305d9a0e35a756f2f"></a>400 <a·id="a9db672ddf5fc263305d9a0e35a756f2f"·name="a9db672ddf5fc263305d9a0e35a756f2f"></a>
401 <h2·class="memtitle"><span·class="permalink"><a·href="#a9db672ddf5fc263305d9a0e35a756f2f">&#9670;&#160;</a></span>XYZFile()·<span·class="overload">[1/2]</span></h2>401 <h2·class="memtitle"><span·class="permalink"><a·href="#a9db672ddf5fc263305d9a0e35a756f2f">&#9670;&#160;</a></span>XYZFile()·<span·class="overload">[1/2]</span></h2>
  
402 <div·class="memitem">402 <div·class="memitem">
403 <div·class="memproto">403 <div·class="memproto">
404 ······<table·class="memname">404 ······<table·class="memname">
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503 ··</td>503 ··</td>
504 ··<td·class="mlabels-right">504 ··<td·class="mlabels-right">
505 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>505 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
506 ··</tr>506 ··</tr>
507 </table>507 </table>
508 </div><div·class="memdoc">508 </div><div·class="memdoc">
  
509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">XYZFile.h</a>.</p>509 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00090">90</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">XYZFile.h</a>.</p>
  
510 </div>510 </div>
511 </div>511 </div>
512 <a·id="a40c59416e3207fb47383c1db9926f09f"·name="a40c59416e3207fb47383c1db9926f09f"></a>512 <a·id="a40c59416e3207fb47383c1db9926f09f"·name="a40c59416e3207fb47383c1db9926f09f"></a>
513 <h2·class="memtitle"><span·class="permalink"><a·href="#a40c59416e3207fb47383c1db9926f09f">&#9670;&#160;</a></span>read()·<span·class="overload">[1/2]</span></h2>513 <h2·class="memtitle"><span·class="permalink"><a·href="#a40c59416e3207fb47383c1db9926f09f">&#9670;&#160;</a></span>read()·<span·class="overload">[1/2]</span></h2>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/dfb/a07087.html">List·of·all·members</a>··</div>78 <a·href="../../dc/dfb/a07087.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::RGroupAssembler·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::RGroupAssembler·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/rGroupAssembler.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/STRUCTURE/rGroupAssembler.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a70c391f86a996d8afeddb997a4c3d489"·id="r_a70c391f86a996d8afeddb997a4c3d489"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a70c391f86a996d8afeddb997a4c3d489">RGroupAssembler</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;scaffold,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>86 <tr·class="memitem:a70c391f86a996d8afeddb997a4c3d489"·id="r_a70c391f86a996d8afeddb997a4c3d489"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a70c391f86a996d8afeddb997a4c3d489">RGroupAssembler</a>·(<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;scaffold,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>
87 <tr·class="separator:a70c391f86a996d8afeddb997a4c3d489"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a70c391f86a996d8afeddb997a4c3d489"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a8742149f65e6dee5b2deb09aefa30d29"·id="r_a8742149f65e6dee5b2deb09aefa30d29"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a8742149f65e6dee5b2deb09aefa30d29">RGroupAssembler</a>·(std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;scaffolds,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>88 <tr·class="memitem:a8742149f65e6dee5b2deb09aefa30d29"·id="r_a8742149f65e6dee5b2deb09aefa30d29"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#a8742149f65e6dee5b2deb09aefa30d29">RGroupAssembler</a>·(std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&amp;scaffolds,·std::map&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·std::vector&lt;·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&gt;·&gt;·&amp;rgroups)</td></tr>
89 <tr·class="separator:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a8742149f65e6dee5b2deb09aefa30d29"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aa4b332dbc7b815b8d619207caeb6b17d"·id="r_aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#aa4b332dbc7b815b8d619207caeb6b17d">~RGroupAssembler</a>·()</td></tr>90 <tr·class="memitem:aa4b332dbc7b815b8d619207caeb6b17d"·id="r_aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#aa4b332dbc7b815b8d619207caeb6b17d">~RGroupAssembler</a>·()</td></tr>
91 <tr·class="separator:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aa4b332dbc7b815b8d619207caeb6b17d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:ac33529682be7fcbe61b3c7a5dfef09af"·id="r_ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#ac33529682be7fcbe61b3c7a5dfef09af">generateNextMolecule</a>·()</td></tr>92 <tr·class="memitem:ac33529682be7fcbe61b3c7a5dfef09af"·id="r_ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd2/a07090.html#ac33529682be7fcbe61b3c7a5dfef09af">generateNextMolecule</a>·()</td></tr>
93 <tr·class="separator:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:ac33529682be7fcbe61b3c7a5dfef09af"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d26/a01700_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d4/d26/a01700_source.html">rGroupAssembler.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">rGroupAssembler.h</a>.</p>
98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>98 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
99 <a·id="a70c391f86a996d8afeddb997a4c3d489"·name="a70c391f86a996d8afeddb997a4c3d489"></a>99 <a·id="a70c391f86a996d8afeddb997a4c3d489"·name="a70c391f86a996d8afeddb997a4c3d489"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#a70c391f86a996d8afeddb997a4c3d489">&#9670;&#160;</a></span>RGroupAssembler()·<span·class="overload">[1/2]</span></h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#a70c391f86a996d8afeddb997a4c3d489">&#9670;&#160;</a></span>RGroupAssembler()·<span·class="overload">[1/2]</span></h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 ······<table·class="memname">103 ······<table·class="memname">
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79 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AromaticityProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../dd/dd6/a05602.html#details">More...</a></p>83 ·<a·href="../../dd/dd6/a05602.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code></p>
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.·</p>
  
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117 <p>overwrite·bond·orders·or·storing·the·bond·order·as·a·property·</p>117 <p>overwrite·bond·orders·or·storing·the·bond·order·as·a·property·</p>
  
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 103 <tr·class="memitem:ga1a143f5511b66cb6472ad8913046b8d3"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga1a143f5511b66cb6472ad8913046b8d3">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../da/dd2/a04898.html">TSimpleBox3</a>&lt;·T·&gt;·&amp;box)</td></tr>
 104 <tr·class="separator:ga1a143f5511b66cb6472ad8913046b8d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 </div><!--·contents·-->106 </div><!--·contents·-->
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
 78 <a·href="#typedef-members">Typedefs</a>··</div>
78 ··<div·class="headertitle"><div·class="title">renderSetup.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">surface.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/VIEW/RENDERING/RENDERERS/glRenderer.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/d61/a00302_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../df/d95/a00299_source.html">BALL/VIEW/RENDERING/glRenderWindow.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
86 <code>#include·&lt;QtCore/QWaitCondition&gt;</code><br·/> 
87 <code>#include·&lt;boost/enable_shared_from_this.hpp&gt;</code><br·/> 
88 <code>#include·&lt;deque&gt;</code><br·/> 
89 </div>83 </div>
90 <p><a·href="../../dd/dd7/a00260_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../dd/dd7/a00260_source.html">Go·to·the·source·code·of·this·file.</a></p>
91 <table·class="memberdecls">85 <table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
93 Classes</h2></td></tr>87 Classes</h2></td></tr>
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d14/a08330.html">BALL::VIEW::RenderSetup</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/dca/a04906.html">BALL::TSurface&lt;·T·&gt;</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/ddf/a08334.html">BALL::VIEW::RenderToBufferFinishedEvent</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de6/a04910.html">BALL::TSurface&lt;·T·&gt;::Triangle</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
103 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>97 </table><table·class="memberdecls">
 98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 99 Typedefs</h2></td></tr>
 100 <tr·class="memitem:gaa84e6d848adb90d3b7014c41c6e6e8e9"·id="r_gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d0/dca/a04906.html">TSurface</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d38/a02166.html#gaa84e6d848adb90d3b7014c41c6e6e8e9">BALL::Surface</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:gaa84e6d848adb90d3b7014c41c6e6e8e9"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d8/d46/a06971.html">List·of·all·members</a>··</div>78 <a·href="../../d8/d46/a06971.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::LogP·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::LogP·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/logP.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/dfb/a01874_source.html">BALL/STRUCTURE/logP.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:a77add605d628cae23f3dbbcc894ee974"·id="r_a77add605d628cae23f3dbbcc894ee974"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a77add605d628cae23f3dbbcc894ee974">LogP</a>·()</td></tr>86 <tr·class="memitem:a77add605d628cae23f3dbbcc894ee974"·id="r_a77add605d628cae23f3dbbcc894ee974"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a77add605d628cae23f3dbbcc894ee974">LogP</a>·()</td></tr>
87 <tr·class="separator:a77add605d628cae23f3dbbcc894ee974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a77add605d628cae23f3dbbcc894ee974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a76fab78f5d4211465f5099c5444501db"·id="r_a76fab78f5d4211465f5099c5444501db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a76fab78f5d4211465f5099c5444501db">~LogP</a>·()</td></tr>88 <tr·class="memitem:a76fab78f5d4211465f5099c5444501db"·id="r_a76fab78f5d4211465f5099c5444501db"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#a76fab78f5d4211465f5099c5444501db">~LogP</a>·()</td></tr>
89 <tr·class="separator:a76fab78f5d4211465f5099c5444501db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a76fab78f5d4211465f5099c5444501db"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ac2652dd8ae4d2bd1b466d5125febc67e"·id="r_ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#ac2652dd8ae4d2bd1b466d5125febc67e">calculate</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;usmile)</td></tr>90 <tr·class="memitem:ac2652dd8ae4d2bd1b466d5125febc67e"·id="r_ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd7/a06974.html#ac2652dd8ae4d2bd1b466d5125febc67e">calculate</a>·(const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;usmile)</td></tr>
91 <tr·class="separator:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ac2652dd8ae4d2bd1b466d5125febc67e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>Class·for·calculation·of·the·Octonal/Water·partition·coefficient.<br··/>94 <div·class="textblock"><p>Class·for·calculation·of·the·Octonal/Water·partition·coefficient.<br··/>
95 Based·on·Wildman·and·Crippen,·J.·Chem.·Inf.·Comput.·Sci.·1999,·39,·868-873·</p>95 Based·on·Wildman·and·Crippen,·J.·Chem.·Inf.·Comput.·Sci.·1999,·39,·868-873·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d53/a01688_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d6/d53/a01688_source.html">logP.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dfb/a01874_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../de/dfb/a01874_source.html">logP.h</a>.</p>
97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>97 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
98 <a·id="a77add605d628cae23f3dbbcc894ee974"·name="a77add605d628cae23f3dbbcc894ee974"></a>98 <a·id="a77add605d628cae23f3dbbcc894ee974"·name="a77add605d628cae23f3dbbcc894ee974"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#a77add605d628cae23f3dbbcc894ee974">&#9670;&#160;</a></span>LogP()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#a77add605d628cae23f3dbbcc894ee974">&#9670;&#160;</a></span>LogP()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 ······<table·class="memname">102 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d27/a05799.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d27/a05799.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::TotalNegativePartialCharge·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::TotalNegativePartialCharge·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../db/daf/a01019_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/dd7/a00362_source.html">BALL/QSAR/partialChargeDescriptors.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::TotalNegativePartialCharge:</div>83 Inheritance·diagram·for·BALL::TotalNegativePartialCharge:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../dd/dd9/a05802.png"·usemap="#BALL::TotalNegativePartialCharge_map"·alt=""/>86 ··<img·src="../../dd/dd9/a05802.png"·usemap="#BALL::TotalNegativePartialCharge_map"·alt=""/>
87 ··<map·id="BALL::TotalNegativePartialCharge_map"·name="BALL::TotalNegativePartialCharge_map">87 ··<map·id="BALL::TotalNegativePartialCharge_map"·name="BALL::TotalNegativePartialCharge_map">
88 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>88 <area·href="../../d4/dc2/a05794.html"·alt="BALL::PartialChargeBase"·shape="rect"·coords="0,168,341,192"/>
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183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>183 <tr·class="inherit_header·pro_attribs_a05794"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a05794')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d4/dc2/a05794.html">BALL::PartialChargeBase</a></td></tr>
184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>184 <tr·class="memitem:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"·id="r_a9f9a683d15b8d2e2aafddb9d0d31616c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc2/a05794.html#a9f9a683d15b8d2e2aafddb9d0d31616c">data_folder_</a></td></tr>
185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>185 <tr·class="separator:a9f9a683d15b8d2e2aafddb9d0d31616c·inherit·pro_attribs_a05794"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
186 </table>186 </table>
187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>187 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
188 <div·class="textblock"><p>This·descriptor·adds·up·all·negative·partial·charges·over·all·atoms.·</p>188 <div·class="textblock"><p>This·descriptor·adds·up·all·negative·partial·charges·over·all·atoms.·</p>
  
189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/daf/a01019_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../db/daf/a01019_source.html">partialChargeDescriptors.h</a>.</p>189 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/dd7/a00362_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../de/dd7/a00362_source.html">partialChargeDescriptors.h</a>.</p>
190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>190 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
191 <a·id="a76a88a079d838d97e9b6ac41f05a45ed"·name="a76a88a079d838d97e9b6ac41f05a45ed"></a>191 <a·id="a76a88a079d838d97e9b6ac41f05a45ed"·name="a76a88a079d838d97e9b6ac41f05a45ed"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#a76a88a079d838d97e9b6ac41f05a45ed">&#9670;&#160;</a></span>TotalNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#a76a88a079d838d97e9b6ac41f05a45ed">&#9670;&#160;</a></span>TotalNegativePartialCharge()·<span·class="overload">[1/2]</span></h2>
  
193 <div·class="memitem">193 <div·class="memitem">
194 <div·class="memproto">194 <div·class="memproto">
195 ······<table·class="memname">195 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">DNAMutator.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">DNAMutator.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d4/d07/a01913_source.html">BALL/STRUCTURE/mutator.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d9/d88/a01823_source.html">BALL/STRUCTURE/mutator.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../da/d18/a01850_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/nucleotideMapping.h</a>&gt;</code><br·/>
86 <code>#include·&lt;deque&gt;</code><br·/>86 <code>#include·&lt;deque&gt;</code><br·/>
87 <code>#include·&lt;map&gt;</code><br·/>87 <code>#include·&lt;map&gt;</code><br·/>
88 </div>88 </div>
89 <p><a·href="../../dd/ddc/a01802_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../dd/ddc/a01802_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">90 <table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
92 Classes</h2></td></tr>92 Classes</h2></td></tr>
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../dd/d3c/a03735.html">List·of·all·members</a>··</div>82 <a·href="../../dd/d3c/a03735.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::EvolutionaryDocking·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::EvolutionaryDocking·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbf/a01109_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::EvolutionaryDocking:</div>88 Inheritance·diagram·for·BALL::EvolutionaryDocking:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../dd/ddd/a03738.png"·usemap="#BALL::EvolutionaryDocking_map"·alt=""/>91 ··<img·src="../../dd/ddd/a03738.png"·usemap="#BALL::EvolutionaryDocking_map"·alt=""/>
92 ··<map·id="BALL::EvolutionaryDocking_map"·name="BALL::EvolutionaryDocking_map">92 ··<map·id="BALL::EvolutionaryDocking_map"·name="BALL::EvolutionaryDocking_map">
93 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,166,24"/>93 <area·href="../../d2/db1/a03646.html"·alt="BALL::DockingAlgorithm"·shape="rect"·coords="0,0,166,24"/>
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270 <tr·class="inherit_header·pro_static_methods_a03646"><td·colspan="2"·onclick="javascript:toggleInherit('pro_static_methods_a03646')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>270 <tr·class="inherit_header·pro_static_methods_a03646"><td·colspan="2"·onclick="javascript:toggleInherit('pro_static_methods_a03646')"><img·src="../../closed.png"·alt="-"/>&#160;Static·Protected·Member·Functions·inherited·from·<a·class="el"·href="../../d2/db1/a03646.html">BALL::DockingAlgorithm</a></td></tr>
271 <tr·class="memitem:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"·id="r_ad53fd4ab10218b9221d11b9d72fa13b1"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html#ad53fd4ab10218b9221d11b9d72fa13b1">writeSubcategories_</a>·(<a·class="el"·href="../../d0/d31/a03558.html">Options</a>·&amp;category,·std::ostream·&amp;out)</td></tr>271 <tr·class="memitem:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"·id="r_ad53fd4ab10218b9221d11b9d72fa13b1"><td·class="memItemLeft"·align="right"·valign="top">static·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/db1/a03646.html#ad53fd4ab10218b9221d11b9d72fa13b1">writeSubcategories_</a>·(<a·class="el"·href="../../d0/d31/a03558.html">Options</a>·&amp;category,·std::ostream·&amp;out)</td></tr>
272 <tr·class="separator:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>272 <tr·class="separator:ad53fd4ab10218b9221d11b9d72fa13b1·inherit·pro_static_methods_a03646"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
273 </table>273 </table>
274 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>274 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
275 <div·class="textblock"><p>class·<a·class="el"·href="../../dd/ddd/a03738.html">EvolutionaryDocking</a>·This·class·is·derived·from·class·<a·class="el"·href="../../d2/db1/a03646.html">DockingAlgorithm</a>.·small·ligand·docking·algorithm·via·a·genetic·Algorithm.·</p>275 <div·class="textblock"><p>class·<a·class="el"·href="../../dd/ddd/a03738.html">EvolutionaryDocking</a>·This·class·is·derived·from·class·<a·class="el"·href="../../d2/db1/a03646.html">DockingAlgorithm</a>.·small·ligand·docking·algorithm·via·a·genetic·Algorithm.·</p>
  
276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">evolutionaryDocking.h</a>.</p>276 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
277 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>277 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
278 <a·id="afb7499d3f2d3640c479905e7171f6fe1"·name="afb7499d3f2d3640c479905e7171f6fe1"></a>278 <a·id="afb7499d3f2d3640c479905e7171f6fe1"·name="afb7499d3f2d3640c479905e7171f6fe1"></a>
279 <h2·class="memtitle"><span·class="permalink"><a·href="#afb7499d3f2d3640c479905e7171f6fe1">&#9670;&#160;</a></span>EvolutionaryDocking()·<span·class="overload">[1/2]</span></h2>279 <h2·class="memtitle"><span·class="permalink"><a·href="#afb7499d3f2d3640c479905e7171f6fe1">&#9670;&#160;</a></span>EvolutionaryDocking()·<span·class="overload">[1/2]</span></h2>
  
280 <div·class="memitem">280 <div·class="memitem">
281 <div·class="memproto">281 <div·class="memproto">
282 ······<table·class="memname">282 ······<table·class="memname">
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713 ··<td·class="mlabels-right">713 ··<td·class="mlabels-right">
714 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>714 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
715 ··</tr>715 ··</tr>
716 </table>716 </table>
717 </div><div·class="memdoc">717 </div><div·class="memdoc">
718 <p>mapping·class·for·docking·</p>718 <p>mapping·class·for·docking·</p>
  
719 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">evolutionaryDocking.h</a>.</p>719 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00129">129</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
720 </div>720 </div>
721 </div>721 </div>
722 <a·id="a85c967c699d06fe032e4b70db25d4eba"·name="a85c967c699d06fe032e4b70db25d4eba"></a>722 <a·id="a85c967c699d06fe032e4b70db25d4eba"·name="a85c967c699d06fe032e4b70db25d4eba"></a>
723 <h2·class="memtitle"><span·class="permalink"><a·href="#a85c967c699d06fe032e4b70db25d4eba">&#9670;&#160;</a></span>ga_</h2>723 <h2·class="memtitle"><span·class="permalink"><a·href="#a85c967c699d06fe032e4b70db25d4eba">&#9670;&#160;</a></span>ga_</h2>
  
724 <div·class="memitem">724 <div·class="memitem">
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738 ··<td·class="mlabels-right">738 ··<td·class="mlabels-right">
739 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>739 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
740 ··</tr>740 ··</tr>
741 </table>741 </table>
742 </div><div·class="memdoc">742 </div><div·class="memdoc">
743 <p>optimization·method·</p>743 <p>optimization·method·</p>
  
744 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">evolutionaryDocking.h</a>.</p>744 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00125">125</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
745 </div>745 </div>
746 </div>746 </div>
747 <a·id="a7339e969afe9c0c0c71d9f27148c1104"·name="a7339e969afe9c0c0c71d9f27148c1104"></a>747 <a·id="a7339e969afe9c0c0c71d9f27148c1104"·name="a7339e969afe9c0c0c71d9f27148c1104"></a>
748 <h2·class="memtitle"><span·class="permalink"><a·href="#a7339e969afe9c0c0c71d9f27148c1104">&#9670;&#160;</a></span>reference_center_</h2>748 <h2·class="memtitle"><span·class="permalink"><a·href="#a7339e969afe9c0c0c71d9f27148c1104">&#9670;&#160;</a></span>reference_center_</h2>
  
749 <div·class="memitem">749 <div·class="memitem">
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763 ··<td·class="mlabels-right">763 ··<td·class="mlabels-right">
764 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>764 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
765 ··</tr>765 ··</tr>
766 </table>766 </table>
767 </div><div·class="memdoc">767 </div><div·class="memdoc">
768 <p>the·geometrical·center·of·the·reference·ligand·</p>768 <p>the·geometrical·center·of·the·reference·ligand·</p>
  
769 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbf/a01109_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d8/dbf/a01109_source.html">evolutionaryDocking.h</a>.</p>769 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d83/a01544_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d6/d83/a01544_source.html">evolutionaryDocking.h</a>.</p>
  
770 </div>770 </div>
771 </div>771 </div>
772 </div><!--·contents·-->772 </div><!--·contents·-->
773 <!--·start·footer·part·-->773 <!--·start·footer·part·-->
774 <hr·class="footer"/><address·class="footer"><small>774 <hr·class="footer"/><address·class="footer"><small>
775 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8775 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d5/d2f/a08331.html">List·of·all·members</a>··</div>79 <a·href="../../d5/d2f/a08331.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderToBufferFinishedEvent·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::RenderToBufferFinishedEvent·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d9b/a01433_source.html">BALL/VIEW/RENDERING/renderSetup.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::RenderToBufferFinishedEvent:</div>85 Inheritance·diagram·for·BALL::VIEW::RenderToBufferFinishedEvent:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../dd/ddf/a08334.png"·usemap="#BALL::VIEW::RenderToBufferFinishedEvent_map"·alt=""/>88 ··<img·src="../../dd/ddf/a08334.png"·usemap="#BALL::VIEW::RenderToBufferFinishedEvent_map"·alt=""/>
89 ··<map·id="BALL::VIEW::RenderToBufferFinishedEvent_map"·name="BALL::VIEW::RenderToBufferFinishedEvent_map">89 ··<map·id="BALL::VIEW::RenderToBufferFinishedEvent_map"·name="BALL::VIEW::RenderToBufferFinishedEvent_map">
90 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,256,24"/>90 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,256,24"/>
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103 Protected·Attributes</h2></td></tr>103 Protected·Attributes</h2></td></tr>
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105 <tr·class="separator:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:adbb3547ffadec5d4fd78a6ab684eab37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 </table>106 </table>
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108 <div·class="textblock"><p>This·class·is·used·for·communication·of·render·events·over·thread·boundaries.·</p>108 <div·class="textblock"><p>This·class·is·used·for·communication·of·render·events·over·thread·boundaries.·</p>
  
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182 ··</td>182 ··</td>
183 ··<td·class="mlabels-right">183 ··<td·class="mlabels-right">
184 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>184 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
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79 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
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83 ·<a·href="../../dd/de0/a05478.html#details">More...</a></p>83 ·<a·href="../../dd/de0/a05478.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../dd/de0/a05478.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01070_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d5/d67/a01070_source.html">empiricalHSShiftProcessor.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00063">63</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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119 </div>119 </div>
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8 <title>BALL:·pyWidget.h·File·Reference</title>8 <title>BALL:·python.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">pyWidget.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">python.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../da/de0/a00317_source.html">BALL/VIEW/WIDGETS/textEditorWidget.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;QtGui/QDragEnterEvent&gt;</code><br·/> 
86 <code>#include·&lt;QtGui/QKeyEvent&gt;</code><br·/> 
87 <code>#include·&lt;QtGui/QDropEvent&gt;</code><br·/> 
88 <code>#include·&lt;QtWidgets/QLineEdit&gt;</code><br·/> 
89 <code>#include·&lt;QtWidgets/QComboBox&gt;</code><br·/> 
90 <code>#include·&lt;QtWidgets/QTabWidget&gt;</code><br·/> 
91 <code>#include·&lt;QtGui/QSyntaxHighlighter&gt;</code><br·/> 
92 <code>#include·&lt;QtGui/QValidator&gt;</code><br·/> 
93 <code>#include·&lt;QtCore/QStringList&gt;</code><br·/> 
94 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
95 </div> 
96 <p><a·href="../../dd/de2/a00320_source.html">Go·to·the·source·code·of·this·file.</a></p> 
97 <table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html">BALL::VIEW::PythonValidator</a></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d3b/a08510.html">BALL::VIEW::Hotkey</a></td></tr> 
107 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
110 </table><table·class="memberdecls"> 
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83 <code>#include·&lt;random&gt;</code><br·/> 
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85 <p><a·href="../../dd/de4/a01121_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dd/de4/a01121_source.html">Go·to·the·source·code·of·this·file.</a></p>
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84 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
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86 <code>#include·&lt;<a·class="el"·href="../../d3/d13/a00836_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/> 
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88 <code>#include·&lt;list&gt;</code><br·/> 
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90 <code>#include·&lt;algorithm&gt;</code><br·/> 
91 </div>86 </div>
92 <p><a·href="../../dd/de7/a01868_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../dd/de7/a01868_source.html">Go·to·the·source·code·of·this·file.</a></p>
93 <table·class="memberdecls">88 <table·class="memberdecls">
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113 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
114 Functions</h2></td></tr> 
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67 </div>67 </div>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">assignTypes.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">shiftModel2D.h·File·Reference</div></div>
79 </div><!--header-->80 </div><!--header-->
80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/NMR/spectrum.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/>84 <code>#include·&lt;vector&gt;</code><br·/>
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85 <p><a·href="../../dd/deb/a01628_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../dd/deb/a01628_source.html">Go·to·the·source·code·of·this·file.</a></p>
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105 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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79 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Peptides::NameConverter::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../dd/deb/a07018.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../dd/deb/a07018.html#details">More...</a></p>83 ·<a·href="../../dd/deb/a07018.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d9/d7d/a01880_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d2/d45/a01826_source.html">BALL/STRUCTURE/peptides.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00163">163</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
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97 <a·id="a7059d79f24096e7ddccafb2ceff62994"·name="a7059d79f24096e7ddccafb2ceff62994"></a>97 <a·id="a7059d79f24096e7ddccafb2ceff62994"·name="a7059d79f24096e7ddccafb2ceff62994"></a>
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115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
116 ··</tr>116 ··</tr>
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118 </div><div·class="memdoc">118 </div><div·class="memdoc">
119 <p>The·conversion·table·file·</p>119 <p>The·conversion·table·file·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00167">167</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
121 </div>121 </div>
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123 <a·id="a1d86d949ee69930f09fe48928eb90c66"·name="a1d86d949ee69930f09fe48928eb90c66"></a>123 <a·id="a1d86d949ee69930f09fe48928eb90c66"·name="a1d86d949ee69930f09fe48928eb90c66"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d86d949ee69930f09fe48928eb90c66">&#9670;&#160;</a></span>PSEUDO_ATOMS_INIFile</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a1d86d949ee69930f09fe48928eb90c66">&#9670;&#160;</a></span>PSEUDO_ATOMS_INIFile</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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140 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>140 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
141 ··</tr>141 ··</tr>
142 </table>142 </table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
144 <p>The·pseudo·atoms·conversion·table·file·</p>144 <p>The·pseudo·atoms·conversion·table·file·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d7d/a01880_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d9/d7d/a01880_source.html">peptides.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d45/a01826_source.html#l00171">171</a>·of·file·<a·class="el"·href="../../d2/d45/a01826_source.html">peptides.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
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149 <!--·start·footer·part·-->149 <!--·start·footer·part·-->
150 <hr·class="footer"/><address·class="footer"><small>150 <hr·class="footer"/><address·class="footer"><small>
151 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8151 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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81 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>81 ··<div·class="headertitle"><div·class="title">BALL::MMFF94AtomTypes·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
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87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../dd/df0/a05262.png"·usemap="#BALL::MMFF94AtomTypes_map"·alt=""/>89 ··<img·src="../../dd/df0/a05262.png"·usemap="#BALL::MMFF94AtomTypes_map"·alt=""/>
90 ··<map·id="BALL::MMFF94AtomTypes_map"·name="BALL::MMFF94AtomTypes_map">90 ··<map·id="BALL::MMFF94AtomTypes_map"·name="BALL::MMFF94AtomTypes_map">
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140 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>140 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
141 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·atom·types·(see·MMFFPROP.PAR)·</p>144 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·atom·types·(see·MMFFPROP.PAR)·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00157">157</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="aafb16b5476351c61edbe36f0562f209e"·name="aafb16b5476351c61edbe36f0562f209e"></a>147 <a·id="aafb16b5476351c61edbe36f0562f209e"·name="aafb16b5476351c61edbe36f0562f209e"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb16b5476351c61edbe36f0562f209e">&#9670;&#160;</a></span>MMFF94AtomTypes()·<span·class="overload">[1/2]</span></h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb16b5476351c61edbe36f0562f209e">&#9670;&#160;</a></span>MMFF94AtomTypes()·<span·class="overload">[1/2]</span></h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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199 ··</td>199 ··</td>
200 ··<td·class="mlabels-right">200 ··<td·class="mlabels-right">
201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>201 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
202 ··</tr>202 ··</tr>
203 </table>203 </table>
204 </div><div·class="memdoc">204 </div><div·class="memdoc">
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 <h2·class="groupheader">Member·Function·Documentation</h2>208 <h2·class="groupheader">Member·Function·Documentation</h2>
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210 <h2·class="memtitle"><span·class="permalink"><a·href="#af0991a8205cd774c175e6da9df503691">&#9670;&#160;</a></span>getAtomTypes()</h2>210 <h2·class="memtitle"><span·class="permalink"><a·href="#af0991a8205cd774c175e6da9df503691">&#9670;&#160;</a></span>getAtomTypes()</h2>
  
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227 ··</td>227 ··</td>
228 ··<td·class="mlabels-right">228 ··<td·class="mlabels-right">
229 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>229 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
230 ··</tr>230 ··</tr>
231 </table>231 </table>
232 </div><div·class="memdoc">232 </div><div·class="memdoc">
  
233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>233 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00172">172</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
234 </div>234 </div>
235 </div>235 </div>
236 <a·id="a06a83f5e5858f2ea7088e51debb2f000"·name="a06a83f5e5858f2ea7088e51debb2f000"></a>236 <a·id="a06a83f5e5858f2ea7088e51debb2f000"·name="a06a83f5e5858f2ea7088e51debb2f000"></a>
237 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a83f5e5858f2ea7088e51debb2f000">&#9670;&#160;</a></span>setup_()</h2>237 <h2·class="memtitle"><span·class="permalink"><a·href="#a06a83f5e5858f2ea7088e51debb2f000">&#9670;&#160;</a></span>setup_()</h2>
  
238 <div·class="memitem">238 <div·class="memitem">
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280 ··</td>280 ··</td>
281 ··<td·class="mlabels-right">281 ··<td·class="mlabels-right">
282 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>282 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
283 ··</tr>283 ··</tr>
284 </table>284 </table>
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65 </div>65 </div>
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70 ··<ul>70 ··<ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">fieldLineCreator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">automaticModelCreator.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d9/d01/a00227_source.html">BALL/VIEW/KERNEL/representation.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../dd/df5/a00386_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../dd/df5/a00386_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
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79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BuriedPolar::Option·Struct·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
  
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81 ··<div·class="headertitle"><div·class="title">BALL::INIFile::IteratorTraits_·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::INIFile::IteratorTraits_·Class·Reference</div></div>
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83 <div·class="contents">83 <div·class="contents">
  
84 <p>Interface·for·the·LineIterator.··84 <p>Interface·for·the·LineIterator.··
85 ·<a·href="../../de/d08/a03934.html#details">More...</a></p>85 ·<a·href="../../de/d08/a03934.html#details">More...</a></p>
  
86 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01301_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../d5/dd3/a00902_source.html">BALL/FORMAT/INIFile.h</a>&gt;</code></p>
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89 Public·Member·Functions</h2></td></tr>89 Public·Member·Functions</h2></td></tr>
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153 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>153 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
154 <div·class="textblock"><p>Interface·for·the·LineIterator.·</p>154 <div·class="textblock"><p>Interface·for·the·LineIterator.·</p>
  
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79 ··<div·class="headertitle"><div·class="title">randomEvaluation.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">rescoring.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/daf/a01169_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/FORMAT/genericMolFile.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/QSAR/QSARData.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../d2/dea/a02057_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../de/df8/a00440_source.html">BALL/QSAR/regressionModel.h</a>&gt;</code><br·/>
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 </div>86 </div>
87 <p><a·href="../../de/d0a/a02015_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../de/d0a/a02015_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>90 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/db0/a06414.html">BALL::RandomEvaluation</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d53/a06418.html">BALL::Rescoring</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc1/a06422.html">BALL::Rescoring::RescoreQSARData</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
95 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d6/d46/a07907.html">List·of·all·members</a>··</div>81 <a·href="../../d6/d46/a07907.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoveMode·Class·Reference</div></div>82 ··<div·class="headertitle"><div·class="title">BALL::VIEW::MoveMode·Class·Reference</div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../d7/d25/a00182_source.html">BALL/VIEW/KERNEL/MODES/moveMode.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../d6/dcf/a01031_source.html">BALL/VIEW/KERNEL/MODES/moveMode.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::VIEW::MoveMode:</div>87 Inheritance·diagram·for·BALL::VIEW::MoveMode:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../de/d0e/a07910.png"·usemap="#BALL::VIEW::MoveMode_map"·alt=""/>90 ··<img·src="../../de/d0e/a07910.png"·usemap="#BALL::VIEW::MoveMode_map"·alt=""/>
91 ··<map·id="BALL::VIEW::MoveMode_map"·name="BALL::VIEW::MoveMode_map">91 ··<map·id="BALL::VIEW::MoveMode_map"·name="BALL::VIEW::MoveMode_map">
92 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>92 <area·href="../../d0/d9f/a07902.html"·alt="BALL::VIEW::InteractionMode"·shape="rect"·coords="0,56,177,80"/>
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195 Additional·Inherited·Members</h2></td></tr>195 Additional·Inherited·Members</h2></td></tr>
196 <tr·class="inherit_header·signals_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('signals_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Signals·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>196 <tr·class="inherit_header·signals_a07902"><td·colspan="2"·onclick="javascript:toggleInherit('signals_a07902')"><img·src="../../closed.png"·alt="-"/>&#160;Signals·inherited·from·<a·class="el"·href="../../d0/d9f/a07902.html">BALL::VIEW::InteractionMode</a></td></tr>
197 <tr·class="memitem:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"·id="r_a75116b4028f01c27bb5baa88ca236d2e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a75116b4028f01c27bb5baa88ca236d2e">requestModeChange</a>·(<a·class="el"·href="../../d0/d9f/a07902.html">InteractionMode</a>·*mode)</td></tr>197 <tr·class="memitem:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"·id="r_a75116b4028f01c27bb5baa88ca236d2e"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d9f/a07902.html#a75116b4028f01c27bb5baa88ca236d2e">requestModeChange</a>·(<a·class="el"·href="../../d0/d9f/a07902.html">InteractionMode</a>·*mode)</td></tr>
198 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>198 <tr·class="separator:a75116b4028f01c27bb5baa88ca236d2e·inherit·signals_a07902"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
199 </table>199 </table>
200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>200 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
201 <div·class="textblock">201 <div·class="textblock">
202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">moveMode.h</a>.</p>202 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00011">11</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>203 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
204 <a·id="ac06eae4c8928d99879aebdebeb6ad0a1"·name="ac06eae4c8928d99879aebdebeb6ad0a1"></a>204 <a·id="ac06eae4c8928d99879aebdebeb6ad0a1"·name="ac06eae4c8928d99879aebdebeb6ad0a1"></a>
205 <h2·class="memtitle"><span·class="permalink"><a·href="#ac06eae4c8928d99879aebdebeb6ad0a1">&#9670;&#160;</a></span>MoveMode()</h2>205 <h2·class="memtitle"><span·class="permalink"><a·href="#ac06eae4c8928d99879aebdebeb6ad0a1">&#9670;&#160;</a></span>MoveMode()</h2>
  
206 <div·class="memitem">206 <div·class="memitem">
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322 ··</tr>322 ··</tr>
323 </table>323 </table>
324 </div><div·class="memdoc">324 </div><div·class="memdoc">
  
325 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>325 <p>Implements·<a·class="el"·href="../../d0/d9f/a07902.html#aa6a86daf896a4764b74aabb305d0ba45">BALL::VIEW::InteractionMode</a>.</p>
  
326 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">moveMode.h</a>.</p>326 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
  
327 </div>327 </div>
328 </div>328 </div>
329 <a·id="ae76c3cff754ec25cff76969a4e7d55e0"·name="ae76c3cff754ec25cff76969a4e7d55e0"></a>329 <a·id="ae76c3cff754ec25cff76969a4e7d55e0"·name="ae76c3cff754ec25cff76969a4e7d55e0"></a>
330 <h2·class="memtitle"><span·class="permalink"><a·href="#ae76c3cff754ec25cff76969a4e7d55e0">&#9670;&#160;</a></span>mouseMoveEventImpl_()</h2>330 <h2·class="memtitle"><span·class="permalink"><a·href="#ae76c3cff754ec25cff76969a4e7d55e0">&#9670;&#160;</a></span>mouseMoveEventImpl_()</h2>
  
331 <div·class="memitem">331 <div·class="memitem">
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481 ··</td>481 ··</td>
482 ··<td·class="mlabels-right">482 ··<td·class="mlabels-right">
483 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>483 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
484 ··</tr>484 ··</tr>
485 </table>485 </table>
486 </div><div·class="memdoc">486 </div><div·class="memdoc">
  
487 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d25/a00182_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/d25/a00182_source.html">moveMode.h</a>.</p>487 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dcf/a01031_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d6/dcf/a01031_source.html">moveMode.h</a>.</p>
  
488 </div>488 </div>
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491 <!--·start·footer·part·-->491 <!--·start·footer·part·-->
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72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>72 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">smartsParser.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">atomBijection.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
83 <code>#include·&lt;map&gt;</code><br·/> 
84 <code>#include·&lt;set&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../de/d0f/a01727_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d0f/a01727_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d05/a07222.html">BALL::SmartsParser::SPBond</a></td></tr> 
93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·representation·of·the·smarts·parser.··<a·href="../../d5/d05/a07222.html#details">More...</a><br·/></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/dd4/a07226.html">BALL::SmartsParser::SPAtom</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/dc9/a06650.html">BALL::AtomBijection</a></td></tr>
96 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Smarts·Parser·<a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·class.··<a·href="../../d8/dd4/a07226.html#details">More...</a><br·/></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">union·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da4/a07230.html">BALL::SmartsParser::SPAtom::PropertyValue</a></td></tr> 
99 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">possible·types·of·the·properties··<a·href="../../d2/da4/a07230.html#details">More...</a><br·/></td></tr> 
100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d8c/a07234.html">BALL::SmartsParser::SPAtom::Property</a></td></tr> 
102 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d4/d8c/a07234.html"·title="Property·struct·of·smarts·parser·atom.">Property</a>·struct·of·smarts·parser·atom.··<a·href="../../d4/d8c/a07234.html#details">More...</a><br·/></td></tr> 
103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddc/a07238.html">BALL::SmartsParser::SPEdge</a></td></tr> 
105 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Edge·representation·of·the·smarts·parser·graph.··<a·href="../../d1/ddc/a07238.html#details">More...</a><br·/></td></tr> 
106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
107 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d34/a07242.html">BALL::SmartsParser::SPNode</a></td></tr> 
108 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Representation·of·a·node·in·the·smarts·parser·graph.··<a·href="../../d3/d34/a07242.html#details">More...</a><br·/></td></tr> 
109 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">atomVector.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">HBondShiftProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/de5/a00503_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;map&gt;</code><br·/>
83 </div>87 </div>
84 <p><a·href="../../de/d14/a01640_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../de/d14/a01640_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">89 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d59/a05062.html">BALL::AtomVector</a></td></tr>92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dc0/a05502.html">BALL::HBondShiftProcessor</a></td></tr>
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92 Namespaces</h2></td></tr>96 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d5/d64/a04719.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d64/a04719.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TripleBondsPredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TripleBondsPredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TripleBondsPredicate:</div>84 Inheritance·diagram·for·BALL::TripleBondsPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/d18/a04722.png"·usemap="#BALL::TripleBondsPredicate_map"·alt=""/>87 ··<img·src="../../de/d18/a04722.png"·usemap="#BALL::TripleBondsPredicate_map"·alt=""/>
88 ··<map·id="BALL::TripleBondsPredicate_map"·name="BALL::TripleBondsPredicate_map">88 ··<map·id="BALL::TripleBondsPredicate_map"·name="BALL::TripleBondsPredicate_map">
89 <area·href="../../d9/d82/a04718.html"·alt="BALL::DoubleBondsPredicate"·shape="rect"·coords="0,224,204,248"/>89 <area·href="../../d9/d82/a04718.html"·alt="BALL::DoubleBondsPredicate"·shape="rect"·coords="0,224,204,248"/>
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135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>135 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>136 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>137 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
138 </table>138 </table>
139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>139 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
140 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·triple·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>140 <div·class="textblock"><p>Predicate·class·for·atoms·bearing·triple·bonds.·Arguments·of·this·class·are·<b>·required·</b>·to·consist·of·an·relational·operator·and·a·number·between·1·and·8.·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00415">415</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
142 </div><h2·class="groupheader">Member·Function·Documentation</h2>142 </div><h2·class="groupheader">Member·Function·Documentation</h2>
143 <a·id="a753b930b788668841be4f23567627984"·name="a753b930b788668841be4f23567627984"></a>143 <a·id="a753b930b788668841be4f23567627984"·name="a753b930b788668841be4f23567627984"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a753b930b788668841be4f23567627984">&#9670;&#160;</a></span>operator()()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a753b930b788668841be4f23567627984">&#9670;&#160;</a></span>operator()()</h2>
  
145 <div·class="memitem">145 <div·class="memitem">
146 <div·class="memproto">146 <div·class="memproto">
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">GAFFCESParser.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">conformation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/CONCEPT/property.h</a>&gt;</code><br·/>
83 <code>#include·&lt;set&gt;</code><br·/> 
84 <code>#include·&lt;map&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/>83 <code>#include·&lt;QtCore/QCryptographicHash&gt;</code><br·/>
86 </div>84 </div>
87 <p><a·href="../../de/d1a/a01559_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d1a/a01559_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
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86 <code>#include·&lt;boost/any.hpp&gt;</code><br·/>86 <code>#include·&lt;cstdio&gt;</code><br·/>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_ad1580e676f9584aa3f77966a7e41e8d.html">AMBER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>
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79 ··<div·class="headertitle"><div·class="title">amberNonBonded.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">dockProblem.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;vector&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d0/dc0/a01652_source.html">BALL/MOLMEC/PARAMETER/lennardJones.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
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84 <code>#include·&lt;<a·class="el"·href="../../df/ddd/a01655_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../d5/dee/a00518_source.html">BALL/KERNEL/protein.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../da/ded/a01547_source.html">BALL/DOCKING/GENETICDOCK/rotateBonds.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d5/dc8/a01541_source.html">BALL/DOCKING/GENETICDOCK/geneticAlgorithm.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d6/d83/a01544_source.html">BALL/DOCKING/GENETICDOCK/evolutionaryDocking.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d7/def/a01538_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
 93 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
85 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>94 <code>#include·&lt;<a·class="el"·href="../../d2/d2f/a01586_source.html">BALL/DOCKING/COMMON/conformationSet.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../d4/d49/a01643_source.html">BALL/MOLMEC/COMMON/support.h</a>&gt;</code><br·/> 
87 </div>95 </div>
88 <p><a·href="../../de/d2c/a01553_source.html">Go·to·the·source·code·of·this·file.</a></p>96 <p><a·href="../../de/d2c/a01553_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">97 <table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
91 Classes</h2></td></tr>99 Classes</h2></td></tr>
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d88/a04942.html">BALL::AmberNonBonded</a></td></tr>100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d2e/a03734.html">BALL::DockProblem</a></td></tr>
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96 Namespaces</h2></td></tr>104 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>105 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>106 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
101 Macros</h2></td></tr> 
102 <tr·class="memitem:a123bbb13717e24f338d0e9a5af1b9d09"·id="r_a123bbb13717e24f338d0e9a5af1b9d09"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d2c/a01553.html#a123bbb13717e24f338d0e9a5af1b9d09">AMBER_NB_ENABLED</a>&#160;&#160;&#160;&quot;enable·NB&quot;</td></tr> 
103 <tr·class="memdesc:a123bbb13717e24f338d0e9a5af1b9d09"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·NB··<br·/></td></tr> 
104 <tr·class="separator:a123bbb13717e24f338d0e9a5af1b9d09"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>107 </table>
106 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
107 <a·id="a123bbb13717e24f338d0e9a5af1b9d09"·name="a123bbb13717e24f338d0e9a5af1b9d09"></a> 
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a123bbb13717e24f338d0e9a5af1b9d09">&#9670;&#160;</a></span>AMBER_NB_ENABLED</h2> 
  
109 <div·class="memitem"> 
110 <div·class="memproto"> 
111 ······<table·class="memname"> 
112 ········<tr> 
113 ··········<td·class="memname">#define·AMBER_NB_ENABLED&#160;&#160;&#160;&quot;enable·NB&quot;</td> 
114 ········</tr> 
115 ······</table> 
116 </div><div·class="memdoc"> 
  
117 <p>flag·to·enable·NB·</p> 
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d2c/a01553_source.html#l00044">44</a>·of·file·<a·class="el"·href="../../de/d2c/a01553_source.html">amberNonBonded.h</a>.</p> 
  
119 </div> 
120 </div> 
121 </div><!--·contents·-->108 </div><!--·contents·-->
122 <!--·start·footer·part·-->109 <!--·start·footer·part·-->
123 <hr·class="footer"/><address·class="footer"><small>110 <hr·class="footer"/><address·class="footer"><small>
124 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8111 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·pubchemDownloader.h·File·Reference</title>8 <title>BALL:·molecularFileDialog.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_498938d7a876b18701efd3ca02fa882d.html">DIALOGS</a></li>··</ul>
72 </div>72 </div>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">pubchemDownloader.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularFileDialog.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../de/d9e/a01061_source.html">BALL/VIEW/KERNEL/modularWidget.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d29/a20374_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../de/d33/a01274_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d33/a01274_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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88 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Downloads·PubChem·entries.··<a·href="../../d0/d4c/a04422.html#details">More...</a><br·/></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;78 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
79 <a·href="../../d2/dc1/a06151.html">List·of·all·members</a>··</div>79 <a·href="../../d2/dc1/a06151.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Rescorer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Rescorer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d8b/a02060_source.html">BALL/SCORING/COMMON/rescorer.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d23/a01961_source.html">BALL/SCORING/COMMON/rescorer.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a8829fef7dc539ec466511a30aece3a84"·id="r_a8829fef7dc539ec466511a30aece3a84"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a8829fef7dc539ec466511a30aece3a84">operator=</a>·(const·<a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;rescorer)</td></tr>87 <tr·class="memitem:a8829fef7dc539ec466511a30aece3a84"·id="r_a8829fef7dc539ec466511a30aece3a84"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a8829fef7dc539ec466511a30aece3a84">operator=</a>·(const·<a·class="el"·href="../../de/d33/a06154.html">Rescorer</a>·&amp;rescorer)</td></tr>
88 <tr·class="separator:a8829fef7dc539ec466511a30aece3a84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a8829fef7dc539ec466511a30aece3a84"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
91 Static·Public·Member·Functions</h2></td></tr>91 Static·Public·Member·Functions</h2></td></tr>
92 <tr·class="memitem:a912664f59c583c372d598f642147b258"·id="r_a912664f59c583c372d598f642147b258"><td·class="memItemLeft"·align="right"·valign="top">static·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a912664f59c583c372d598f642147b258">runRescoring</a>·(<a·class="el"·href="../../d0/d34/a03874.html">CommandlineParser</a>·&amp;par,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·simple_rescoring,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·train)</td></tr>92 <tr·class="memitem:a912664f59c583c372d598f642147b258"·id="r_a912664f59c583c372d598f642147b258"><td·class="memItemLeft"·align="right"·valign="top">static·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d33/a06154.html#a912664f59c583c372d598f642147b258">runRescoring</a>·(<a·class="el"·href="../../d0/d34/a03874.html">CommandlineParser</a>·&amp;par,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·simple_rescoring,·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·train)</td></tr>
93 <tr·class="separator:a912664f59c583c372d598f642147b258"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a912664f59c583c372d598f642147b258"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock"><p>Class·that·performs·rescoring.·Taken·originally·from·CADDSuite.·</p>96 <div·class="textblock"><p>Class·that·performs·rescoring.·Taken·originally·from·CADDSuite.·</p>
  
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d8b/a02060_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d5/d8b/a02060_source.html">rescorer.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d23/a01961_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d2/d23/a01961_source.html">rescorer.h</a>.</p>
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78 ··<div·class="headertitle"><div·class="title">quadraticImproperTorsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">analyticalSES.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
83 </div>82 </div>
84 <p><a·href="../../de/d3e/a01676_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../de/d3e/a01676_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">84 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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96 Namespaces</h2></td></tr>86 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>87 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="../../df/d48/a04287.html">List·of·all·members</a>··</div>78 <a·href="../../df/d48/a04287.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX3·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX3·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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89 <tr·class="separator:a4a65a9a368209405342299f9809091c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a4a65a9a368209405342299f9809091c4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:aafb65b9be3c304a3b633435cba243385"·id="r_aafb65b9be3c304a3b633435cba243385"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#aafb65b9be3c304a3b633435cba243385">transformation_matrix</a>·[4]</td></tr>90 <tr·class="memitem:aafb65b9be3c304a3b633435cba243385"·id="r_aafb65b9be3c304a3b633435cba243385"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d3f/a04290.html#aafb65b9be3c304a3b633435cba243385">transformation_matrix</a>·[4]</td></tr>
91 <tr·class="separator:aafb65b9be3c304a3b633435cba243385"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:aafb65b9be3c304a3b633435cba243385"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00904">904</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00904">904</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
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108 </div>108 </div>
109 </div>109 </div>
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123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00906">906</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00906">906</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="aafb65b9be3c304a3b633435cba243385"·name="aafb65b9be3c304a3b633435cba243385"></a>128 <a·id="aafb65b9be3c304a3b633435cba243385"·name="aafb65b9be3c304a3b633435cba243385"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb65b9be3c304a3b633435cba243385">&#9670;&#160;</a></span>transformation_matrix</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#aafb65b9be3c304a3b633435cba243385">&#9670;&#160;</a></span>transformation_matrix</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX3::transformation_matrix[4]</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX3::transformation_matrix[4]</td>
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139 ······</table>139 ······</table>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_f03d71dde2003b483dd9e4436a4b37e3.html">MMFF94</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_bb4d961725705958607a6853b82051ac.html">COMMON</a></li>··</ul>
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78 ··<div·class="headertitle"><div·class="title">MMFF94Torsion.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">constraints.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d82/a01607_source.html">BALL/MOLMEC/COMMON/forceFieldComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/d7f/a00287_source.html">BALL/MATHS/matrix44.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d9/d39/a00257_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../df/d9e/a00686_source.html">BALL/DATATYPE/hashGrid.h</a>&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../de/d40/a01592_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../de/d40/a01592_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>90 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dcf/a05334.html">BALL::MMFF94Torsion</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html">BALL::Constraint</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da3/a05338.html">BALL::MMFF94Torsion::Torsion</a></td></tr>93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/df2/a03638.html">BALL::ReferenceArea</a></td></tr>
92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">see·MMFFTOR.PAR··<a·href="../../da/da3/a05338.html#details">More...</a><br·/></td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dd9/a03642.html">BALL::PharmacophoreConstraint</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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96 Namespaces</h2></td></tr>99 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
101 Macros</h2></td></tr> 
102 <tr><td·colspan="2"><div·class="groupHeader">Type·Definitions·&lt;br&gt;</div></td></tr> 
103 <tr·class="memitem:a49d176d52d345dbc6f2055613ca84ddf"·id="r_a49d176d52d345dbc6f2055613ca84ddf"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d40/a01592.html#a49d176d52d345dbc6f2055613ca84ddf">MMFF94_TORSIONS_ENABLED</a>&#160;&#160;&#160;&quot;enable·Torsions&quot;</td></tr> 
104 <tr·class="memdesc:a49d176d52d345dbc6f2055613ca84ddf"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">flag·to·enable·Torsions··<br·/></td></tr> 
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106 </table>104 </table>
107 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
108 <a·id="a49d176d52d345dbc6f2055613ca84ddf"·name="a49d176d52d345dbc6f2055613ca84ddf"></a> 
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a49d176d52d345dbc6f2055613ca84ddf">&#9670;&#160;</a></span>MMFF94_TORSIONS_ENABLED</h2> 
  
110 <div·class="memitem"> 
111 <div·class="memproto"> 
112 ······<table·class="memname"> 
113 ········<tr> 
114 ··········<td·class="memname">#define·MMFF94_TORSIONS_ENABLED&#160;&#160;&#160;&quot;enable·Torsions&quot;</td> 
115 ········</tr> 
116 ······</table> 
117 </div><div·class="memdoc"> 
  
118 <p>flag·to·enable·Torsions·</p> 
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">MMFF94Torsion.h</a>.</p> 
  
120 </div> 
121 </div> 
122 </div><!--·contents·-->105 </div><!--·contents·-->
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125 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8108 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;79 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
80 <a·href="../../dc/d6b/a04731.html">List·of·all·members</a>··</div>80 <a·href="../../dc/d6b/a04731.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate::CTPNode·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::ConnectedToPredicate::CTPNode·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
87 Public·Types</h2></td></tr>87 Public·Types</h2></td></tr>
88 <tr·class="memitem:ae89af724912c5c6be3fb8545e9ccaaa2"·id="r_ae89af724912c5c6be3fb8545e9ccaaa2"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2">BondType</a>·{·<br·/>88 <tr·class="memitem:ae89af724912c5c6be3fb8545e9ccaaa2"·id="r_ae89af724912c5c6be3fb8545e9ccaaa2"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2">BondType</a>·{·<br·/>
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90 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a19c65b2d46a9fd23fc8bccc8d86dbb6f">BONDTYPE__ANY</a>·=·190 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2a19c65b2d46a9fd23fc8bccc8d86dbb6f">BONDTYPE__ANY</a>·=·1
91 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe">BONDTYPE__SINGLE</a>·=·291 ,·<a·class="el"·href="../../de/d41/a04734.html#ae89af724912c5c6be3fb8545e9ccaaa2ac6a75d7d1af3f6fadc4546a5442bddbe">BONDTYPE__SINGLE</a>·=·2
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160 <tr·class="memitem:a474f9e30655d64f87ff709dfc3591c7a"·id="r_a474f9e30655d64f87ff709dfc3591c7a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#a474f9e30655d64f87ff709dfc3591c7a">linkWith</a>·(<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*partner)</td></tr>160 <tr·class="memitem:a474f9e30655d64f87ff709dfc3591c7a"·id="r_a474f9e30655d64f87ff709dfc3591c7a"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#a474f9e30655d64f87ff709dfc3591c7a">linkWith</a>·(<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*partner)</td></tr>
161 <tr·class="separator:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>161 <tr·class="separator:a474f9e30655d64f87ff709dfc3591c7a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
162 <tr·class="memitem:aec146ae4d9206a36f27be9e94c1e7f1b"·id="r_aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;·<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#aec146ae4d9206a36f27be9e94c1e7f1b">getLinkSet</a>·()·const</td></tr>162 <tr·class="memitem:aec146ae4d9206a36f27be9e94c1e7f1b"·id="r_aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d4/d8b/a03538.html">HashSet</a>&lt;·<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>·*·&gt;·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d41/a04734.html#aec146ae4d9206a36f27be9e94c1e7f1b">getLinkSet</a>·()·const</td></tr>
163 <tr·class="separator:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:aec146ae4d9206a36f27be9e94c1e7f1b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 </table>164 </table>
165 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>165 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
166 <div·class="textblock">166 <div·class="textblock">
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00486">486</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
168 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>168 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
169 <a·id="a7251cb8ff0f13789296c2f053878e90b"·name="a7251cb8ff0f13789296c2f053878e90b"></a>169 <a·id="a7251cb8ff0f13789296c2f053878e90b"·name="a7251cb8ff0f13789296c2f053878e90b"></a>
170 <h2·class="memtitle"><span·class="permalink"><a·href="#a7251cb8ff0f13789296c2f053878e90b">&#9670;&#160;</a></span>ConstIterator</h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#a7251cb8ff0f13789296c2f053878e90b">&#9670;&#160;</a></span>ConstIterator</h2>
  
171 <div·class="memitem">171 <div·class="memitem">
172 <div·class="memproto">172 <div·class="memproto">
173 ······<table·class="memname">173 ······<table·class="memname">
174 ········<tr>174 ········<tr>
175 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::const_iterator·<a·class="el"·href="../../de/d41/a04734.html#a7251cb8ff0f13789296c2f053878e90b">BALL::ConnectedToPredicate::CTPNode::ConstIterator</a></td>175 ··········<td·class="memname">typedef·std::list&lt;<a·class="el"·href="../../de/d41/a04734.html">CTPNode</a>*&gt;::const_iterator·<a·class="el"·href="../../de/d41/a04734.html#a7251cb8ff0f13789296c2f053878e90b">BALL::ConnectedToPredicate::CTPNode::ConstIterator</a></td>
176 ········</tr>176 ········</tr>
177 ······</table>177 ······</table>
178 </div><div·class="memdoc">178 </div><div·class="memdoc">
  
179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>179 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00502">502</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
  
180 </div>180 </div>
181 </div>181 </div>
182 <a·id="afe81cda4625040643f07e06f8790118e"·name="afe81cda4625040643f07e06f8790118e"></a>182 <a·id="afe81cda4625040643f07e06f8790118e"·name="afe81cda4625040643f07e06f8790118e"></a>
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184 <div·class="memitem">184 <div·class="memitem">
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190 ······<table·class="memname">190 ······<table·class="memname">
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223 </div>223 </div>
224 </div>224 </div>
225 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>225 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">lipophilic.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">scoringComponent.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/deb/a02090_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d8/d98/a02009_source.html">BALL/SCORING/COMPONENTS/fresnoTypes.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d9/d19/a00560_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>
84 </div>85 </div>
85 <p><a·href="../../de/d46/a01967_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../de/d46/a01967_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">87 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d71/a06306.html">BALL::Lipophilic::Option</a></td></tr> 
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
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78 ··<div·class="headertitle"><div·class="title">shortcutTableView.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyKernel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d7e/a20347_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d7e/a00434_source.html">BALL/VIEW/DIALOGS/editSingleShortcut.h</a>&gt;</code><br·/>82 <code>#include·&lt;Python.h&gt;</code><br·/>
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83 <code>#include·&lt;QtWidgets/QTableView&gt;</code><br·/>84 <code>#include·&lt;string&gt;</code><br·/>
84 <code>#include·&lt;QtWidgets/QItemDelegate&gt;</code><br·/> 
85 <code>#include·&lt;QtWidgets/QPushButton&gt;</code><br·/>85 <code>#include·&lt;utility&gt;</code><br·/>
86 </div>86 </div>
87 <p><a·href="../../de/d55/a00323_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../de/d55/a00323_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">88 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
90 Classes</h2></td></tr>90 Classes</h2></td></tr>
91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d80/a08546.html">BALL::VIEW::ShortcutTableView</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d20/a05586.html">BALL::PyKernel</a></td></tr>
92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html">BALL::VIEW::ShortcutTableModel</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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97 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 </table>98 </table>
103 </div><!--·contents·-->99 </div><!--·contents·-->
104 <!--·start·footer·part·-->100 <!--·start·footer·part·-->
105 <hr·class="footer"/><address·class="footer"><small>101 <hr·class="footer"/><address·class="footer"><small>
106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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150 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7f/a03150.html">TooManyErrors</a></td></tr>151 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d7f/a03150.html">TooManyErrors</a></td></tr>
152 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··<a·href="../../db/d7f/a03150.html#details">More...</a><br·/></td></tr>152 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·to·be·thrown·if·too·many·errors·occur,·e.g.·in·<a·class="el"·href="../../d9/d65/a05074.html">ForceField</a>.··<a·href="../../db/d7f/a03150.html#details">More...</a><br·/></td></tr>
153 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>153 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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155 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>155 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="var-members"·name="var-members"></a>
156 Variables</h2></td></tr>156 Variables</h2></td></tr>
157 <tr·class="memitem:a74b3b1d3e12ef0a3b0796d6808a59445"·id="r_a74b3b1d3e12ef0a3b0796d6808a59445"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../d1/db4/a03174.html">GlobalExceptionHandler</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d59/a02219.html#a74b3b1d3e12ef0a3b0796d6808a59445">globalHandler</a></td></tr>157 <tr·class="memitem:a74b3b1d3e12ef0a3b0796d6808a59445"·id="r_a74b3b1d3e12ef0a3b0796d6808a59445"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../d1/db4/a03174.html">GlobalExceptionHandler</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d59/a02219.html#a74b3b1d3e12ef0a3b0796d6808a59445">globalHandler</a></td></tr>
158 <tr·class="separator:a74b3b1d3e12ef0a3b0796d6808a59445"><td·class="memSeparator"·colspan="2">&#160;</td></tr>158 <tr·class="separator:a74b3b1d3e12ef0a3b0796d6808a59445"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
159 </table>159 </table>
160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>160 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
161 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>161 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>
162 <p>RingProcessor·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>162 <p>RingProcessor·<a·class="el"·href="../../de/d59/a02219.html">Exception</a></p>
163 <p>It·is·possible·that·due·to·invalid·input·or·the·failure·of·the·algorithim,·we·can·not·assign·the·SSSR·correctly.·In·such·a·case·we·throw·a·<a·class="el"·href="../../d7/d69/a05862.html">RingProcessorException</a>·</p>163 <p>It·is·possible·that·due·to·invalid·input·or·the·failure·of·the·algorithim,·we·can·not·assign·the·SSSR·correctly.·In·such·a·case·we·throw·a·<a·class="el"·href="../../d7/d69/a05862.html">RingProcessorException</a>·</p>
164 </div><h2·class="groupheader">Variable·Documentation</h2>164 </div><h2·class="groupheader">Variable·Documentation</h2>
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168 <div·class="memitem">168 <div·class="memitem">
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175 ··········<td·class="memname"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../d1/db4/a03174.html">GlobalExceptionHandler</a>·BALL::Exception::globalHandler</td>175 ··········<td·class="memname"><a·class="el"·href="../../d2/d7e/a20347.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../d1/db4/a03174.html">GlobalExceptionHandler</a>·BALL::Exception::globalHandler</td>
176 ········</tr>176 ········</tr>
177 ······</table>177 ······</table>
178 ··</td>178 ··</td>
179 ··<td·class="mlabels-right">179 ··<td·class="mlabels-right">
180 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>180 <span·class="mlabels"><span·class="mlabel">extern</span></span>··</td>
181 ··</tr>181 ··</tr>
182 </table>182 </table>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../d4/d3a/a04139.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d3a/a04139.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON062·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordCON062·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:aea53cbf757358ce8267a76d7e33b904c"·id="r_aea53cbf757358ce8267a76d7e33b904c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea53cbf757358ce8267a76d7e33b904c">clear</a>·()</td></tr>87 <tr·class="memitem:aea53cbf757358ce8267a76d7e33b904c"·id="r_aea53cbf757358ce8267a76d7e33b904c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea53cbf757358ce8267a76d7e33b904c">clear</a>·()</td></tr>
88 <tr·class="separator:aea53cbf757358ce8267a76d7e33b904c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:aea53cbf757358ce8267a76d7e33b904c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
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97 <tr·class="memitem:a107a912ba6999eeb38fccfa868122dda"·id="r_a107a912ba6999eeb38fccfa868122dda"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#a107a912ba6999eeb38fccfa868122dda">atom_serial_number</a></td></tr>97 <tr·class="memitem:a107a912ba6999eeb38fccfa868122dda"·id="r_a107a912ba6999eeb38fccfa868122dda"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#a107a912ba6999eeb38fccfa868122dda">atom_serial_number</a></td></tr>
98 <tr·class="separator:a107a912ba6999eeb38fccfa868122dda"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a107a912ba6999eeb38fccfa868122dda"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:aea9d1e463aa1773fff3fdbb80fcb293a"·id="r_aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea9d1e463aa1773fff3fdbb80fcb293a">bond_atom</a>·[1]</td></tr>99 <tr·class="memitem:aea9d1e463aa1773fff3fdbb80fcb293a"·id="r_aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d5a/a04142.html#aea9d1e463aa1773fff3fdbb80fcb293a">bond_atom</a>·[1]</td></tr>
100 <tr·class="separator:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:aea9d1e463aa1773fff3fdbb80fcb293a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock">103 <div·class="textblock">
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00513">513</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
105 </div><h2·class="groupheader">Member·Function·Documentation</h2>105 </div><h2·class="groupheader">Member·Function·Documentation</h2>
106 <a·id="aea53cbf757358ce8267a76d7e33b904c"·name="aea53cbf757358ce8267a76d7e33b904c"></a>106 <a·id="aea53cbf757358ce8267a76d7e33b904c"·name="aea53cbf757358ce8267a76d7e33b904c"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#aea53cbf757358ce8267a76d7e33b904c">&#9670;&#160;</a></span>clear()</h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#aea53cbf757358ce8267a76d7e33b904c">&#9670;&#160;</a></span>clear()</h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 <table·class="mlabels">110 <table·class="mlabels">
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122 ··</td>122 ··</td>
123 ··<td·class="mlabels-right">123 ··<td·class="mlabels-right">
124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>124 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
125 ··</tr>125 ··</tr>
126 </table>126 </table>
127 </div><div·class="memdoc">127 </div><div·class="memdoc">
  
128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00520">520</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00520">520</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
129 </div>129 </div>
130 </div>130 </div>
131 <h2·class="groupheader">Member·Data·Documentation</h2>131 <h2·class="groupheader">Member·Data·Documentation</h2>
132 <a·id="a107a912ba6999eeb38fccfa868122dda"·name="a107a912ba6999eeb38fccfa868122dda"></a>132 <a·id="a107a912ba6999eeb38fccfa868122dda"·name="a107a912ba6999eeb38fccfa868122dda"></a>
133 <h2·class="memtitle"><span·class="permalink"><a·href="#a107a912ba6999eeb38fccfa868122dda">&#9670;&#160;</a></span>atom_serial_number</h2>133 <h2·class="memtitle"><span·class="permalink"><a·href="#a107a912ba6999eeb38fccfa868122dda">&#9670;&#160;</a></span>atom_serial_number</h2>
  
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139 ······<table·class="memname">139 ······<table·class="memname">
140 ········<tr>140 ········<tr>
141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::atom_serial_number</td>141 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::atom_serial_number</td>
142 ········</tr>142 ········</tr>
143 ······</table>143 ······</table>
144 </div><div·class="memdoc">144 </div><div·class="memdoc">
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00517">517</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00517">517</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
146 </div>146 </div>
147 </div>147 </div>
148 <a·id="aea9d1e463aa1773fff3fdbb80fcb293a"·name="aea9d1e463aa1773fff3fdbb80fcb293a"></a>148 <a·id="aea9d1e463aa1773fff3fdbb80fcb293a"·name="aea9d1e463aa1773fff3fdbb80fcb293a"></a>
149 <h2·class="memtitle"><span·class="permalink"><a·href="#aea9d1e463aa1773fff3fdbb80fcb293a">&#9670;&#160;</a></span>bond_atom</h2>149 <h2·class="memtitle"><span·class="permalink"><a·href="#aea9d1e463aa1773fff3fdbb80fcb293a">&#9670;&#160;</a></span>bond_atom</h2>
  
150 <div·class="memitem">150 <div·class="memitem">
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155 ······<table·class="memname">155 ······<table·class="memname">
156 ········<tr>156 ········<tr>
157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::bond_atom[1]</td>157 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordCON062::bond_atom[1]</td>
158 ········</tr>158 ········</tr>
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77 <a·href="#func-members">Functions</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">coulomb.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">vertex2.h·File·Reference</div></div>
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 82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;BALL/VIEW/DATATYPE/vertex2.iC&gt;</code><br·/>
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83 <p><a·href="../../de/d5c/a01358_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d5c/a01358_source.html">Go·to·the·source·code·of·this·file.</a></p>
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172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>175 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_172821828ed838e714d67791f53a2f5a.html">ENERGY</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul>
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76 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
77 <a·href="#func-members">Functions</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">atomicContactEnergy.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">colorUnitHue.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/MATHS/common.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d3/da4/a01343_source.html">BALL/VIEW/DATATYPE/colorUnit.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;iostream&gt;</code><br·/>
 86 <code>#include·&lt;cstdio&gt;</code><br·/>
 87 <code>#include·&lt;BALL/VIEW/DATATYPE/colorUnitHue.iC&gt;</code><br·/>
82 </div>88 </div>
83 <p><a·href="../../de/d6c/a01349_source.html">Go·to·the·source·code·of·this·file.</a></p>89 <p><a·href="../../de/d6c/a01349_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">90 <table·class="memberdecls">
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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87 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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89 </table><table·class="memberdecls"> 
90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
91 Functions</h2></td></tr> 
92 <tr·class="memitem:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"·id="r_ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d13/a02139.html#ga8cb2233419a5e4c9e52e1d1ac34e1c7e">BALL::calculateACE</a>·(const·<a·class="el"·href="../../dc/d50/a04474.html">AtomContainer</a>·&amp;atom_container,·const·string·&amp;type_filename=&quot;energy/ACE_types.dat&quot;,·const·string·&amp;parameter_filename=&quot;energy/ACE_parameters.dat&quot;)</td></tr> 
93 <tr·class="separator:ga8cb2233419a5e4c9e52e1d1ac34e1c7e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>102 </table>
95 </div><!--·contents·-->103 </div><!--·contents·-->
96 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·concept.doc·File·Reference</title>8 <title>BALL:·simpleBox.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
 69 <div·id="nav-path"·class="navpath">
 70 ··<ul>
 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
 72 </div>
69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#nested-classes">Classes</a>·&#124;
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71 ··<div·class="headertitle"><div·class="title">concept.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">simpleBox.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00248_source.html">BALL/MATHS/simpleBox3.h</a>&gt;</code><br·/>
 83 </div>
 84 <p><a·href="../../de/d70/a01415_source.html">Go·to·the·source·code·of·this·file.</a></p>
 85 <table·class="memberdecls">
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 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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74 </div><!--·contents·-->98 </div><!--·contents·-->
75 <!--·start·footer·part·-->99 <!--·start·footer·part·-->
76 <hr·class="footer"/><address·class="footer"><small>100 <hr·class="footer"/><address·class="footer"><small>
77 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/d06/a08527.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d06/a08527.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AnimationThread·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::AnimationThread·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d6/d80/a00371_source.html">BALL/VIEW/WIDGETS/scene.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbd/a01100_source.html">BALL/VIEW/WIDGETS/scene.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::AnimationThread:</div>85 Inheritance·diagram·for·BALL::VIEW::AnimationThread:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
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89 ··<map·id="BALL::VIEW::AnimationThread_map"·name="BALL::VIEW::AnimationThread_map">89 ··<map·id="BALL::VIEW::AnimationThread_map"·name="BALL::VIEW::AnimationThread_map">
90 <area·href="../../dc/d88/a20007.html"·alt="QThread"·shape="rect"·coords="0,0,181,24"/>90 <area·href="../../dc/d88/a20007.html"·alt="QThread"·shape="rect"·coords="0,0,181,24"/>
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108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>108 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pro-attribs"·name="pro-attribs"></a>
109 Protected·Attributes</h2></td></tr>109 Protected·Attributes</h2></td></tr>
110 <tr·class="memitem:acb94b894437f10bd965078c622893931"·id="r_acb94b894437f10bd965078c622893931"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d71/a08530.html#acb94b894437f10bd965078c622893931">scene_</a></td></tr>110 <tr·class="memitem:acb94b894437f10bd965078c622893931"·id="r_acb94b894437f10bd965078c622893931"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d15/a08526.html">Scene</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d71/a08530.html#acb94b894437f10bd965078c622893931">scene_</a></td></tr>
111 <tr·class="separator:acb94b894437f10bd965078c622893931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:acb94b894437f10bd965078c622893931"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00935">935</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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119 <div·class="memitem">119 <div·class="memitem">
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134 ··<td·class="mlabels-right">134 ··<td·class="mlabels-right">
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139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00941">941</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>139 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00941">941</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
140 </div>140 </div>
141 </div>141 </div>
142 <h2·class="groupheader">Member·Function·Documentation</h2>142 <h2·class="groupheader">Member·Function·Documentation</h2>
143 <a·id="a7f41dcb0dd927fc4780b68c55f9a6fea"·name="a7f41dcb0dd927fc4780b68c55f9a6fea"></a>143 <a·id="a7f41dcb0dd927fc4780b68c55f9a6fea"·name="a7f41dcb0dd927fc4780b68c55f9a6fea"></a>
144 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f41dcb0dd927fc4780b68c55f9a6fea">&#9670;&#160;</a></span>getScene()</h2>144 <h2·class="memtitle"><span·class="permalink"><a·href="#a7f41dcb0dd927fc4780b68c55f9a6fea">&#9670;&#160;</a></span>getScene()</h2>
  
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161 ··</td>161 ··</td>
162 ··<td·class="mlabels-right">162 ··<td·class="mlabels-right">
163 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>163 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
164 ··</tr>164 ··</tr>
165 </table>165 </table>
166 </div><div·class="memdoc">166 </div><div·class="memdoc">
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00953">953</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00953">953</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
168 </div>168 </div>
169 </div>169 </div>
170 <a·id="a38ffbb66356c89958d19089daf077538"·name="a38ffbb66356c89958d19089daf077538"></a>170 <a·id="a38ffbb66356c89958d19089daf077538"·name="a38ffbb66356c89958d19089daf077538"></a>
171 <h2·class="memtitle"><span·class="permalink"><a·href="#a38ffbb66356c89958d19089daf077538">&#9670;&#160;</a></span>mySleep()</h2>171 <h2·class="memtitle"><span·class="permalink"><a·href="#a38ffbb66356c89958d19089daf077538">&#9670;&#160;</a></span>mySleep()</h2>
  
172 <div·class="memitem">172 <div·class="memitem">
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206 ··</td>206 ··</td>
207 ··<td·class="mlabels-right">207 ··<td·class="mlabels-right">
208 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>208 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
209 ··</tr>209 ··</tr>
210 </table>210 </table>
211 </div><div·class="memdoc">211 </div><div·class="memdoc">
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00944">944</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
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216 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0c089eac894d298dcdb33ec3d6ec7b8">&#9670;&#160;</a></span>setScene()</h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#aa0c089eac894d298dcdb33ec3d6ec7b8">&#9670;&#160;</a></span>setScene()</h2>
  
217 <div·class="memitem">217 <div·class="memitem">
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234 ··</td>234 ··</td>
235 ··<td·class="mlabels-right">235 ··<td·class="mlabels-right">
236 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>236 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
237 ··</tr>237 ··</tr>
238 </table>238 </table>
239 </div><div·class="memdoc">239 </div><div·class="memdoc">
  
240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>240 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00950">950</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
241 </div>241 </div>
242 </div>242 </div>
243 <h2·class="groupheader">Member·Data·Documentation</h2>243 <h2·class="groupheader">Member·Data·Documentation</h2>
244 <a·id="acb94b894437f10bd965078c622893931"·name="acb94b894437f10bd965078c622893931"></a>244 <a·id="acb94b894437f10bd965078c622893931"·name="acb94b894437f10bd965078c622893931"></a>
245 <h2·class="memtitle"><span·class="permalink"><a·href="#acb94b894437f10bd965078c622893931">&#9670;&#160;</a></span>scene_</h2>245 <h2·class="memtitle"><span·class="permalink"><a·href="#acb94b894437f10bd965078c622893931">&#9670;&#160;</a></span>scene_</h2>
  
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259 ··</td>259 ··</td>
260 ··<td·class="mlabels-right">260 ··<td·class="mlabels-right">
261 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>261 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
262 ··</tr>262 ··</tr>
263 </table>263 </table>
264 </div><div·class="memdoc">264 </div><div·class="memdoc">
  
265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d80/a00371_source.html#l00957">957</a>·of·file·<a·class="el"·href="../../d6/d80/a00371_source.html">scene.h</a>.</p>265 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbd/a01100_source.html#l00957">957</a>·of·file·<a·class="el"·href="../../d3/dbd/a01100_source.html">scene.h</a>.</p>
  
266 </div>266 </div>
267 </div>267 </div>
268 </div><!--·contents·-->268 </div><!--·contents·-->
269 <!--·start·footer·part·-->269 <!--·start·footer·part·-->
270 <hr·class="footer"/><address·class="footer"><small>270 <hr·class="footer"/><address·class="footer"><small>
271 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8271 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d1/d4b/a07031.html">List·of·all·members</a>··</div>77 <a·href="../../d1/d4b/a07031.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::RDFParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::RDFParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dc/dc3/a02190.html">Radial·Distribution·Functions</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d6/d3d/a01784_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/de7/a01868_source.html">BALL/STRUCTURE/RDFParameter.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::RDFParameter:</div>83 Inheritance·diagram·for·BALL::RDFParameter:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d75/a07034.png"·usemap="#BALL::RDFParameter_map"·alt=""/>86 ··<img·src="../../de/d75/a07034.png"·usemap="#BALL::RDFParameter_map"·alt=""/>
87 ··<map·id="BALL::RDFParameter_map"·name="BALL::RDFParameter_map">87 ··<map·id="BALL::RDFParameter_map"·name="BALL::RDFParameter_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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190 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>190 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
191 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>191 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
192 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>192 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
193 </table>193 </table>
194 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>194 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
195 <div·class="textblock"><p>Parametersection·for·radial·distribution·function·?????·</p>195 <div·class="textblock"><p>Parametersection·for·radial·distribution·function·?????·</p>
  
196 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">RDFParameter.h</a>.</p>196 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
197 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>197 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
198 <a·id="a730b653c5ce94e5f9eb34c059bfc7ce4"·name="a730b653c5ce94e5f9eb34c059bfc7ce4"></a>198 <a·id="a730b653c5ce94e5f9eb34c059bfc7ce4"·name="a730b653c5ce94e5f9eb34c059bfc7ce4"></a>
199 <h2·class="memtitle"><span·class="permalink"><a·href="#a730b653c5ce94e5f9eb34c059bfc7ce4">&#9670;&#160;</a></span>RDFParameter()·<span·class="overload">[1/2]</span></h2>199 <h2·class="memtitle"><span·class="permalink"><a·href="#a730b653c5ce94e5f9eb34c059bfc7ce4">&#9670;&#160;</a></span>RDFParameter()·<span·class="overload">[1/2]</span></h2>
  
200 <div·class="memitem">200 <div·class="memitem">
201 <div·class="memproto">201 <div·class="memproto">
202 ······<table·class="memname">202 ······<table·class="memname">
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541 ··</td>541 ··</td>
542 ··<td·class="mlabels-right">542 ··<td·class="mlabels-right">
543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>543 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
544 ··</tr>544 ··</tr>
545 </table>545 </table>
546 </div><div·class="memdoc">546 </div><div·class="memdoc">
  
547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">RDFParameter.h</a>.</p>547 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
  
548 </div>548 </div>
549 </div>549 </div>
550 <a·id="a9fda0da303708fe82ef366d3f54c39fb"·name="a9fda0da303708fe82ef366d3f54c39fb"></a>550 <a·id="a9fda0da303708fe82ef366d3f54c39fb"·name="a9fda0da303708fe82ef366d3f54c39fb"></a>
551 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fda0da303708fe82ef366d3f54c39fb">&#9670;&#160;</a></span>rdf_list_</h2>551 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fda0da303708fe82ef366d3f54c39fb">&#9670;&#160;</a></span>rdf_list_</h2>
  
552 <div·class="memitem">552 <div·class="memitem">
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565 ··</td>565 ··</td>
566 ··<td·class="mlabels-right">566 ··<td·class="mlabels-right">
567 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>567 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
568 ··</tr>568 ··</tr>
569 </table>569 </table>
570 </div><div·class="memdoc">570 </div><div·class="memdoc">
  
571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d3d/a01784_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../d6/d3d/a01784_source.html">RDFParameter.h</a>.</p>571 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de7/a01868_source.html#l00143">143</a>·of·file·<a·class="el"·href="../../dd/de7/a01868_source.html">RDFParameter.h</a>.</p>
  
572 </div>572 </div>
573 </div>573 </div>
574 </div><!--·contents·-->574 </div><!--·contents·-->
575 <!--·start·footer·part·-->575 <!--·start·footer·part·-->
576 <hr·class="footer"/><address·class="footer"><small>576 <hr·class="footer"/><address·class="footer"><small>
577 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8577 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d3/d14/a08175.html">List·of·all·members</a>··</div>77 <a·href="../../d3/d14/a08175.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Mesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Mesh·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/dd1/a02212.html">Geometric·Objects</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../da/dd1/a00629_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a01382_source.html">BALL/VIEW/PRIMITIVES/mesh.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::Mesh:</div>83 Inheritance·diagram·for·BALL::VIEW::Mesh:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d75/a08178.png"·usemap="#BALL::VIEW::Mesh_map"·alt=""/>86 ··<img·src="../../de/d75/a08178.png"·usemap="#BALL::VIEW::Mesh_map"·alt=""/>
87 ··<map·id="BALL::VIEW::Mesh_map"·name="BALL::VIEW::Mesh_map">87 ··<map·id="BALL::VIEW::Mesh_map"·name="BALL::VIEW::Mesh_map">
88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>88 <area·href="../../df/d1d/a07806.html"·alt="BALL::VIEW::GeometricObject"·shape="rect"·coords="0,0,198,24"/>
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282 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>282 <tr·class="separator:ab0eb1042ec225a9d403977ba0704c306·inherit·pub_attribs_a07450"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
283 </table>283 </table>
284 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>284 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
285 <div·class="textblock"><p><a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·class.·<br··/>285 <div·class="textblock"><p><a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·class.·<br··/>
286 ·An·instance·of·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·represents·an·instance·of·the·geometric·representation·"mesh".·</p><dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Surface.·The·data·structures·defining·the·mesh·are·implemented·in·the·class·Surface.·Therefore·one·can·use·this·mesh·in·the·same·fashion·as·Surface.·</dd></dl>286 ·An·instance·of·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·represents·an·instance·of·the·geometric·representation·"mesh".·</p><dl·class="section·user"><dt></dt><dd>The·class·<a·class="el"·href="../../de/d75/a08178.html">Mesh</a>·is·derived·from·the·classes·<a·class="el"·href="../../df/d1d/a07806.html">GeometricObject</a>·and·Surface.·The·data·structures·defining·the·mesh·are·implemented·in·the·class·Surface.·Therefore·one·can·use·this·mesh·in·the·same·fashion·as·Surface.·</dd></dl>
287 <dl·class="section·user"><dt></dt><dd>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</dd></dl>287 <dl·class="section·user"><dt></dt><dd>The·colors·belonging·to·each·vertex.·If·this·list·has·<em>less</em>·entries·than·there·are·vertices·in·this·mesh,·we·take·the·first·element·to·color·the·whole·mesh.·If·it·is·<em>empty</em>,·we·use·the·color·white.·</dd></dl>
  
288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd1/a00629_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../da/dd1/a00629_source.html">mesh.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a01382_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../de/d9d/a01382_source.html">mesh.h</a>.</p>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_3df5a5ad7754ea960e604448eda1468f.html">DATATYPE</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">colorMap.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">MMFF94.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d1e/a00149_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../df/dbb/a00698_source.html">BALL/MATHS/vector4.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 </div> 
85 <p><a·href="../../de/d76/a00134_source.html">Go·to·the·source·code·of·this·file.</a></p> 
86 <table·class="memberdecls"> 
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
88 Classes</h2></td></tr> 
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91 </table><table·class="memberdecls"> 
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96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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98 </table> 
99 </div><!--·contents·-->74 </div><!--·contents·-->
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_46bde4670535f76c6409b9b449574944.html">MINIMIZATION</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">snapshotManagerInterface.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">lineSearch.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/da1/a01613_source.html">BALL/MOLMEC/COMMON/snapShotManager.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;vector&gt;</code><br·/> 
83 <code>#include·&lt;deque&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../de/d79/a00203_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../de/d79/a00203_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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99 </div><!--·contents·-->95 </div><!--·contents·-->
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 ··<div·class="headertitle"><div·class="title">BALL::HINFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::HINFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d0b/a01253_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d7/d98/a00983_source.html">BALL/FORMAT/HINFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::HINFile:</div>83 Inheritance·diagram·for·BALL::HINFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d7e/a03914.png"·usemap="#BALL::HINFile_map"·alt=""/>86 ··<img·src="../../de/d7e/a03914.png"·usemap="#BALL::HINFile_map"·alt=""/>
87 ··<map·id="BALL::HINFile_map"·name="BALL::HINFile_map">87 ··<map·id="BALL::HINFile_map"·name="BALL::HINFile_map">
88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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406 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>406 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
407 </table>407 </table>
408 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>408 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
409 <div·class="textblock"><p>HyperChem·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·HyperChem·HIN·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>409 <div·class="textblock"><p>HyperChem·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·HyperChem·HIN·files.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
410 <p>Note:·HIN·defines·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·as·a·connected·component·in·the·molecule·graph·If·you·read·e.g.·a·protein·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>,·such·that·no·bonds·are·set·each·atom·will·be·placed·into·its·own·molecule.·To·prevent·this·from·happening·use·the·<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB·to·build·missing·bonds.·</a></p>410 <p>Note:·HIN·defines·a·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>·as·a·connected·component·in·the·molecule·graph·If·you·read·e.g.·a·protein·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>,·such·that·no·bonds·are·set·each·atom·will·be·placed·into·its·own·molecule.·To·prevent·this·from·happening·use·the·<a·class="el"·href="../../d7/d89/a06862.html">FragmentDB·to·build·missing·bonds.·</a></p>
  
411 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">HINFile.h</a>.</p>411 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
412 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>412 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
413 <a·id="ac193e63ddad695f969a0ad5ee5f5d7a7"·name="ac193e63ddad695f969a0ad5ee5f5d7a7"></a>413 <a·id="ac193e63ddad695f969a0ad5ee5f5d7a7"·name="ac193e63ddad695f969a0ad5ee5f5d7a7"></a>
414 <h2·class="memtitle"><span·class="permalink"><a·href="#ac193e63ddad695f969a0ad5ee5f5d7a7">&#9670;&#160;</a></span>HINFile()·<span·class="overload">[1/2]</span></h2>414 <h2·class="memtitle"><span·class="permalink"><a·href="#ac193e63ddad695f969a0ad5ee5f5d7a7">&#9670;&#160;</a></span>HINFile()·<span·class="overload">[1/2]</span></h2>
  
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790 ··</tr>790 ··</tr>
791 </table>791 </table>
792 </div><div·class="memdoc">792 </div><div·class="memdoc">
  
793 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">HINFile.h</a>.</p>793 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
  
794 </div>794 </div>
795 </div>795 </div>
796 <a·id="aea523169bfddf49dfd0a36fe67d8ca4f"·name="aea523169bfddf49dfd0a36fe67d8ca4f"></a>796 <a·id="aea523169bfddf49dfd0a36fe67d8ca4f"·name="aea523169bfddf49dfd0a36fe67d8ca4f"></a>
797 <h2·class="memtitle"><span·class="permalink"><a·href="#aea523169bfddf49dfd0a36fe67d8ca4f">&#9670;&#160;</a></span>temperature_</h2>797 <h2·class="memtitle"><span·class="permalink"><a·href="#aea523169bfddf49dfd0a36fe67d8ca4f">&#9670;&#160;</a></span>temperature_</h2>
  
798 <div·class="memitem">798 <div·class="memitem">
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811 ··</td>811 ··</td>
812 ··<td·class="mlabels-right">812 ··<td·class="mlabels-right">
813 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>813 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
814 ··</tr>814 ··</tr>
815 </table>815 </table>
816 </div><div·class="memdoc">816 </div><div·class="memdoc">
  
817 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d0b/a01253_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d3/d0b/a01253_source.html">HINFile.h</a>.</p>817 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d98/a00983_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d7/d98/a00983_source.html">HINFile.h</a>.</p>
  
818 </div>818 </div>
819 </div>819 </div>
820 </div><!--·contents·-->820 </div><!--·contents·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="../../d1/da9/a04807.html">List·of·all·members</a>··</div>78 <a·href="../../d1/da9/a04807.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::DoubleTraits·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::DoubleTraits·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d94/a00716_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d5e/a00275_source.html">BALL/MATHS/fftwCommon.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
85 Public·Types</h2></td></tr>85 Public·Types</h2></td></tr>
86 <tr·class="memitem:a4630d2ee2779ccdc3ff0b37f9030e8c0"·id="r_a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a4630d2ee2779ccdc3ff0b37f9030e8c0">ComplexPrecision</a></td></tr>86 <tr·class="memitem:a4630d2ee2779ccdc3ff0b37f9030e8c0"·id="r_a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a4630d2ee2779ccdc3ff0b37f9030e8c0">ComplexPrecision</a></td></tr>
87 <tr·class="separator:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a4630d2ee2779ccdc3ff0b37f9030e8c0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a092a7f8545ecb0c3ec5b02007ae1aff7"·id="r_a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftw_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">FftwPlan</a></td></tr>88 <tr·class="memitem:a092a7f8545ecb0c3ec5b02007ae1aff7"·id="r_a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memItemLeft"·align="right"·valign="top">typedef·fftw_plan&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">FftwPlan</a></td></tr>
89 <tr·class="separator:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a092a7f8545ecb0c3ec5b02007ae1aff7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d94/a00716_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d2/d94/a00716_source.html">fftwCommon.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00016">16</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
94 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>94 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
95 <a·id="a4630d2ee2779ccdc3ff0b37f9030e8c0"·name="a4630d2ee2779ccdc3ff0b37f9030e8c0"></a>95 <a·id="a4630d2ee2779ccdc3ff0b37f9030e8c0"·name="a4630d2ee2779ccdc3ff0b37f9030e8c0"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a4630d2ee2779ccdc3ff0b37f9030e8c0">&#9670;&#160;</a></span>ComplexPrecision</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a4630d2ee2779ccdc3ff0b37f9030e8c0">&#9670;&#160;</a></span>ComplexPrecision</h2>
  
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99 ······<table·class="memname">99 ······<table·class="memname">
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102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d94/a00716_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d2/d94/a00716_source.html">fftwCommon.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d5e/a00275_source.html#l00018">18</a>·of·file·<a·class="el"·href="../../d3/d5e/a00275_source.html">fftwCommon.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="a092a7f8545ecb0c3ec5b02007ae1aff7"·name="a092a7f8545ecb0c3ec5b02007ae1aff7"></a>108 <a·id="a092a7f8545ecb0c3ec5b02007ae1aff7"·name="a092a7f8545ecb0c3ec5b02007ae1aff7"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a092a7f8545ecb0c3ec5b02007ae1aff7">&#9670;&#160;</a></span>FftwPlan</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a092a7f8545ecb0c3ec5b02007ae1aff7">&#9670;&#160;</a></span>FftwPlan</h2>
  
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119 ··········<td·class="memname">typedef·fftw_plan·<a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">BALL::DoubleTraits::FftwPlan</a></td>119 ··········<td·class="memname">typedef·fftw_plan·<a·class="el"·href="../../de/d85/a04810.html#a092a7f8545ecb0c3ec5b02007ae1aff7">BALL::DoubleTraits::FftwPlan</a></td>
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124 </div>124 </div>
125 </div>125 </div>
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79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../de/d85/a07146.html#details">More...</a></p>83 ·<a·href="../../de/d85/a07146.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:abbd498930d524c56a0a7b0843ec9204e"·id="r_abbd498930d524c56a0a7b0843ec9204e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#abbd498930d524c56a0a7b0843ec9204e">SHOW_HYDROGENS</a></td></tr>88 <tr·class="memitem:abbd498930d524c56a0a7b0843ec9204e"·id="r_abbd498930d524c56a0a7b0843ec9204e"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#abbd498930d524c56a0a7b0843ec9204e">SHOW_HYDROGENS</a></td></tr>
89 <tr·class="separator:abbd498930d524c56a0a7b0843ec9204e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:abbd498930d524c56a0a7b0843ec9204e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a3aae100e603b4d4afad724effb5838ca"·id="r_a3aae100e603b4d4afad724effb5838ca"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#a3aae100e603b4d4afad724effb5838ca">STANDARD_BOND_LENGTH</a></td></tr>90 <tr·class="memitem:a3aae100e603b4d4afad724effb5838ca"·id="r_a3aae100e603b4d4afad724effb5838ca"><td·class="memItemLeft"·align="right"·valign="top">static·const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d85/a07146.html#a3aae100e603b4d4afad724effb5838ca">STANDARD_BOND_LENGTH</a></td></tr>
91 <tr·class="separator:a3aae100e603b4d4afad724effb5838ca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a3aae100e603b4d4afad724effb5838ca"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.·</p>94 <div·class="textblock"><p><a·class="el"·href="../../de/d85/a07146.html"·title="Option·names.">Option</a>·names.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00061">61</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="abbd498930d524c56a0a7b0843ec9204e"·name="abbd498930d524c56a0a7b0843ec9204e"></a>97 <a·id="abbd498930d524c56a0a7b0843ec9204e"·name="abbd498930d524c56a0a7b0843ec9204e"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#abbd498930d524c56a0a7b0843ec9204e">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#abbd498930d524c56a0a7b0843ec9204e">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>
  
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114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
119 <p>show·hydrogen·atoms.·</p>119 <p>show·hydrogen·atoms.·</p>
  
120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>120 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
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122 </div>122 </div>
123 <a·id="a3aae100e603b4d4afad724effb5838ca"·name="a3aae100e603b4d4afad724effb5838ca"></a>123 <a·id="a3aae100e603b4d4afad724effb5838ca"·name="a3aae100e603b4d4afad724effb5838ca"></a>
124 <h2·class="memtitle"><span·class="permalink"><a·href="#a3aae100e603b4d4afad724effb5838ca">&#9670;&#160;</a></span>STANDARD_BOND_LENGTH</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#a3aae100e603b4d4afad724effb5838ca">&#9670;&#160;</a></span>STANDARD_BOND_LENGTH</h2>
  
125 <div·class="memitem">125 <div·class="memitem">
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139 ··<td·class="mlabels-right">139 ··<td·class="mlabels-right">
140 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>140 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
141 ··</tr>141 ··</tr>
142 </table>142 </table>
143 </div><div·class="memdoc">143 </div><div·class="memdoc">
144 <p>the·standard·bond·length·for·structure·diagrams·</p>144 <p>the·standard·bond·length·for·structure·diagrams·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
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150 <hr·class="footer"/><address·class="footer"><small>150 <hr·class="footer"/><address·class="footer"><small>
151 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8151 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/d81/a07547.html">List·of·all·members</a>··</div>77 <a·href="../../dd/d81/a07547.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ClippingDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ClippingDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dc/d8e/a00473_source.html">BALL/VIEW/DIALOGS/clippingDialog.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/VIEW/DIALOGS/clippingDialog.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::ClippingDialog:</div>83 Inheritance·diagram·for·BALL::VIEW::ClippingDialog:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d8a/a07550.png"·usemap="#BALL::VIEW::ClippingDialog_map"·alt=""/>86 ··<img·src="../../de/d8a/a07550.png"·usemap="#BALL::VIEW::ClippingDialog_map"·alt=""/>
87 ··<map·id="BALL::VIEW::ClippingDialog_map"·name="BALL::VIEW::ClippingDialog_map">87 ··<map·id="BALL::VIEW::ClippingDialog_map"·name="BALL::VIEW::ClippingDialog_map">
88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,168,24"/>88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,168,24"/>
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116 <tr><td·colspan="2"><div·class="groupHeader">Protected·slots</div></td></tr>116 <tr><td·colspan="2"><div·class="groupHeader">Protected·slots</div></td></tr>
117 <tr·class="memitem:abce4ae3c7b553d532099eb539063a41c"·id="r_abce4ae3c7b553d532099eb539063a41c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8a/a07550.html#abce4ae3c7b553d532099eb539063a41c">clipping_plane_</a></td></tr>117 <tr·class="memitem:abce4ae3c7b553d532099eb539063a41c"·id="r_abce4ae3c7b553d532099eb539063a41c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/dbc/a07786.html">ClippingPlane</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8a/a07550.html#abce4ae3c7b553d532099eb539063a41c">clipping_plane_</a></td></tr>
118 <tr·class="separator:abce4ae3c7b553d532099eb539063a41c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>118 <tr·class="separator:abce4ae3c7b553d532099eb539063a41c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
119 </table>119 </table>
120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>120 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
121 <div·class="textblock"><p>Dialog·for·selcting·which·Representations·are·clipped·by·one·clipping·plane.·</p>121 <div·class="textblock"><p>Dialog·for·selcting·which·Representations·are·clipped·by·one·clipping·plane.·</p>
  
122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a00473_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../dc/d8e/a00473_source.html">clippingDialog.h</a>.</p>122 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>123 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
124 <a·id="afed2389df7c24bdc21fe68ed93ad6bc9"·name="afed2389df7c24bdc21fe68ed93ad6bc9"></a>124 <a·id="afed2389df7c24bdc21fe68ed93ad6bc9"·name="afed2389df7c24bdc21fe68ed93ad6bc9"></a>
125 <h2·class="memtitle"><span·class="permalink"><a·href="#afed2389df7c24bdc21fe68ed93ad6bc9">&#9670;&#160;</a></span>ClippingDialog()</h2>125 <h2·class="memtitle"><span·class="permalink"><a·href="#afed2389df7c24bdc21fe68ed93ad6bc9">&#9670;&#160;</a></span>ClippingDialog()</h2>
  
126 <div·class="memitem">126 <div·class="memitem">
127 <div·class="memproto">127 <div·class="memproto">
128 ······<table·class="memname">128 ······<table·class="memname">
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248 ··</td>248 ··</td>
249 ··<td·class="mlabels-right">249 ··<td·class="mlabels-right">
250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>250 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
251 ··</tr>251 ··</tr>
252 </table>252 </table>
253 </div><div·class="memdoc">253 </div><div·class="memdoc">
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a00473_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../dc/d8e/a00473_source.html">clippingDialog.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
  
255 </div>255 </div>
256 </div>256 </div>
257 <a·id="a0bbf079744135912a495e49d326e276d"·name="a0bbf079744135912a495e49d326e276d"></a>257 <a·id="a0bbf079744135912a495e49d326e276d"·name="a0bbf079744135912a495e49d326e276d"></a>
258 <h2·class="memtitle"><span·class="permalink"><a·href="#a0bbf079744135912a495e49d326e276d">&#9670;&#160;</a></span>setClippingPlane()</h2>258 <h2·class="memtitle"><span·class="permalink"><a·href="#a0bbf079744135912a495e49d326e276d">&#9670;&#160;</a></span>setClippingPlane()</h2>
  
259 <div·class="memitem">259 <div·class="memitem">
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276 ··</td>276 ··</td>
277 ··<td·class="mlabels-right">277 ··<td·class="mlabels-right">
278 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>278 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
279 ··</tr>279 ··</tr>
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281 </div><div·class="memdoc">281 </div><div·class="memdoc">
  
282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a00473_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../dc/d8e/a00473_source.html">clippingDialog.h</a>.</p>282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">clippingDialog.h</a>.</p>
  
283 </div>283 </div>
284 </div>284 </div>
285 <h2·class="groupheader">Member·Data·Documentation</h2>285 <h2·class="groupheader">Member·Data·Documentation</h2>
286 <a·id="abce4ae3c7b553d532099eb539063a41c"·name="abce4ae3c7b553d532099eb539063a41c"></a>286 <a·id="abce4ae3c7b553d532099eb539063a41c"·name="abce4ae3c7b553d532099eb539063a41c"></a>
287 <h2·class="memtitle"><span·class="permalink"><a·href="#abce4ae3c7b553d532099eb539063a41c">&#9670;&#160;</a></span>clipping_plane_</h2>287 <h2·class="memtitle"><span·class="permalink"><a·href="#abce4ae3c7b553d532099eb539063a41c">&#9670;&#160;</a></span>clipping_plane_</h2>
  
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301 ··</td>301 ··</td>
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308 </div>308 </div>
309 </div>309 </div>
310 </div><!--·contents·-->310 </div><!--·contents·-->
311 <!--·start·footer·part·-->311 <!--·start·footer·part·-->
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313 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8313 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d8/d73/a08235.html">List·of·all·members</a>··</div>79 <a·href="../../d8/d73/a08235.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLOffscreenTarget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GLOffscreenTarget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a00305_source.html">BALL/VIEW/RENDERING/glOffscreenTarget.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d85/a01436_source.html">BALL/VIEW/RENDERING/glOffscreenTarget.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::GLOffscreenTarget:</div>85 Inheritance·diagram·for·BALL::VIEW::GLOffscreenTarget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/d8b/a08238.png"·usemap="#BALL::VIEW::GLOffscreenTarget_map"·alt=""/>88 ··<img·src="../../de/d8b/a08238.png"·usemap="#BALL::VIEW::GLOffscreenTarget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::GLOffscreenTarget_map"·name="BALL::VIEW::GLOffscreenTarget_map">89 ··<map·id="BALL::VIEW::GLOffscreenTarget_map"·name="BALL::VIEW::GLOffscreenTarget_map">
90 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="0,56,377,80"/>90 <area·href="../../d2/d37/a08354.html"·alt="BALL::VIEW::TRenderWindow&lt;·taPixelDatatype·&gt;"·shape="rect"·coords="0,56,377,80"/>
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169 <tr·class="memitem:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"·id="r_ad44728efb3b78dd25c49ef472de991f1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d37/a08354.html#ad44728efb3b78dd25c49ef472de991f1">do_not_resize_</a></td></tr>169 <tr·class="memitem:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"·id="r_ad44728efb3b78dd25c49ef472de991f1"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d37/a08354.html#ad44728efb3b78dd25c49ef472de991f1">do_not_resize_</a></td></tr>
170 <tr·class="separator:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memSeparator"·colspan="2">&#160;</td></tr>170 <tr·class="separator:ad44728efb3b78dd25c49ef472de991f1·inherit·pro_attribs_a08354"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
171 </table>171 </table>
172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>172 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
173 <div·class="textblock"><p>Model·of·the·<a·class="el"·href="../../d4/dc0/a02225.html#ab88cb63c4928309f5d663a4f279d435f">RenderWindow</a>·which·uses·OpenGL·to·render·its·buffer·into·a·file.</p>173 <div·class="textblock"><p>Model·of·the·<a·class="el"·href="../../d4/dc0/a02225.html#ab88cb63c4928309f5d663a4f279d435f">RenderWindow</a>·which·uses·OpenGL·to·render·its·buffer·into·a·file.</p>
174 <p>The·class·will·try·to·use·a·pixel·buffer·target·if·this·is·available.·If·the·OpenGL·driver·has·no·support·for·PixelBufferObjects,·we·try·to·render·into·a·window·on·screen·instead.·</p>174 <p>The·class·will·try·to·use·a·pixel·buffer·target·if·this·is·available.·If·the·OpenGL·driver·has·no·support·for·PixelBufferObjects,·we·try·to·render·into·a·window·on·screen·instead.·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>176 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
177 <a·id="adec86d0195ad1c7850bd0e724747018a"·name="adec86d0195ad1c7850bd0e724747018a"></a>177 <a·id="adec86d0195ad1c7850bd0e724747018a"·name="adec86d0195ad1c7850bd0e724747018a"></a>
178 <h2·class="memtitle"><span·class="permalink"><a·href="#adec86d0195ad1c7850bd0e724747018a">&#9670;&#160;</a></span>GLOffscreenTarget()</h2>178 <h2·class="memtitle"><span·class="permalink"><a·href="#adec86d0195ad1c7850bd0e724747018a">&#9670;&#160;</a></span>GLOffscreenTarget()</h2>
  
179 <div·class="memitem">179 <div·class="memitem">
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181 ······<table·class="memname">181 ······<table·class="memname">
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478 ··</td>478 ··</td>
479 ··<td·class="mlabels-right">479 ··<td·class="mlabels-right">
480 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>480 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
481 ··</tr>481 ··</tr>
482 </table>482 </table>
483 </div><div·class="memdoc">483 </div><div·class="memdoc">
  
484 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>484 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00068">68</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
485 </div>485 </div>
486 </div>486 </div>
487 <a·id="a3c620827cd46f68e058718aa92af5fde"·name="a3c620827cd46f68e058718aa92af5fde"></a>487 <a·id="a3c620827cd46f68e058718aa92af5fde"·name="a3c620827cd46f68e058718aa92af5fde"></a>
488 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c620827cd46f68e058718aa92af5fde">&#9670;&#160;</a></span>filename_</h2>488 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c620827cd46f68e058718aa92af5fde">&#9670;&#160;</a></span>filename_</h2>
  
489 <div·class="memitem">489 <div·class="memitem">
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502 ··</td>502 ··</td>
503 ··<td·class="mlabels-right">503 ··<td·class="mlabels-right">
504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>504 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
505 ··</tr>505 ··</tr>
506 </table>506 </table>
507 </div><div·class="memdoc">507 </div><div·class="memdoc">
  
508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>508 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00060">60</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
509 </div>509 </div>
510 </div>510 </div>
511 <a·id="a21c063118576651f9859a37dac93b473"·name="a21c063118576651f9859a37dac93b473"></a>511 <a·id="a21c063118576651f9859a37dac93b473"·name="a21c063118576651f9859a37dac93b473"></a>
512 <h2·class="memtitle"><span·class="permalink"><a·href="#a21c063118576651f9859a37dac93b473">&#9670;&#160;</a></span>pixel_buffer_</h2>512 <h2·class="memtitle"><span·class="permalink"><a·href="#a21c063118576651f9859a37dac93b473">&#9670;&#160;</a></span>pixel_buffer_</h2>
  
513 <div·class="memitem">513 <div·class="memitem">
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526 ··</td>526 ··</td>
527 ··<td·class="mlabels-right">527 ··<td·class="mlabels-right">
528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>528 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
529 ··</tr>529 ··</tr>
530 </table>530 </table>
531 </div><div·class="memdoc">531 </div><div·class="memdoc">
  
532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>532 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00064">64</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
533 </div>533 </div>
534 </div>534 </div>
535 <a·id="ab47ad0d0d71295380eb092e5bb8c485d"·name="ab47ad0d0d71295380eb092e5bb8c485d"></a>535 <a·id="ab47ad0d0d71295380eb092e5bb8c485d"·name="ab47ad0d0d71295380eb092e5bb8c485d"></a>
536 <h2·class="memtitle"><span·class="permalink"><a·href="#ab47ad0d0d71295380eb092e5bb8c485d">&#9670;&#160;</a></span>share_from_</h2>536 <h2·class="memtitle"><span·class="permalink"><a·href="#ab47ad0d0d71295380eb092e5bb8c485d">&#9670;&#160;</a></span>share_from_</h2>
  
537 <div·class="memitem">537 <div·class="memitem">
Offset 550, 15 lines modifiedOffset 550, 15 lines modified
550 ··</td>550 ··</td>
551 ··<td·class="mlabels-right">551 ··<td·class="mlabels-right">
552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>552 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
553 ··</tr>553 ··</tr>
554 </table>554 </table>
555 </div><div·class="memdoc">555 </div><div·class="memdoc">
  
556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>556 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00062">62</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
557 </div>557 </div>
558 </div>558 </div>
559 <a·id="a5bf4b365356917fbb89fcbe0ddf1f076"·name="a5bf4b365356917fbb89fcbe0ddf1f076"></a>559 <a·id="a5bf4b365356917fbb89fcbe0ddf1f076"·name="a5bf4b365356917fbb89fcbe0ddf1f076"></a>
560 <h2·class="memtitle"><span·class="permalink"><a·href="#a5bf4b365356917fbb89fcbe0ddf1f076">&#9670;&#160;</a></span>use_pixel_buffer_</h2>560 <h2·class="memtitle"><span·class="permalink"><a·href="#a5bf4b365356917fbb89fcbe0ddf1f076">&#9670;&#160;</a></span>use_pixel_buffer_</h2>
  
561 <div·class="memitem">561 <div·class="memitem">
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574 ··</td>574 ··</td>
575 ··<td·class="mlabels-right">575 ··<td·class="mlabels-right">
576 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>576 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
577 ··</tr>577 ··</tr>
578 </table>578 </table>
579 </div><div·class="memdoc">579 </div><div·class="memdoc">
  
580 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a00305_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../d3/d07/a00305_source.html">glOffscreenTarget.h</a>.</p>580 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d85/a01436_source.html#l00066">66</a>·of·file·<a·class="el"·href="../../dc/d85/a01436_source.html">glOffscreenTarget.h</a>.</p>
  
581 </div>581 </div>
582 </div>582 </div>
583 </div><!--·contents·-->583 </div><!--·contents·-->
584 <!--·start·footer·part·-->584 <!--·start·footer·part·-->
585 <hr·class="footer"/><address·class="footer"><small>585 <hr·class="footer"/><address·class="footer"><small>
586 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8586 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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7.82 KB
./usr/share/doc/libball1.5/html/BALL/de/d8c/a06114.html
    
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/dda/a06111.html">List·of·all·members</a>··</div>77 <a·href="../../dc/dda/a06111.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Validation·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Validation·Class·Reference<span·class="mlabels"><span·class="mlabel">abstract</span></span></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d7/dd4/a00968_source.html">BALL/QSAR/validation.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d4a/a00479_source.html">BALL/QSAR/validation.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::Validation:</div>83 Inheritance·diagram·for·BALL::QSAR::Validation:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d8c/a06114.png"·usemap="#BALL::QSAR::Validation_map"·alt=""/>86 ··<img·src="../../de/d8c/a06114.png"·usemap="#BALL::QSAR::Validation_map"·alt=""/>
87 ··<map·id="BALL::QSAR::Validation_map"·name="BALL::QSAR::Validation_map">87 ··<map·id="BALL::QSAR::Validation_map"·name="BALL::QSAR::Validation_map">
88 <area·href="../../d4/dc8/a05622.html"·alt="BALL::QSAR::ClassificationValidation"·shape="rect"·coords="0,56,221,80"/>88 <area·href="../../d4/dc8/a05622.html"·alt="BALL::QSAR::ClassificationValidation"·shape="rect"·coords="0,56,221,80"/>
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146 <tr·class="separator:a0c29bd8de8b7845fa09744e25f404a7b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>146 <tr·class="separator:a0c29bd8de8b7845fa09744e25f404a7b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
147 <tr·class="memitem:ae7759060ada754153f6dc3ba03d50331"·id="r_ae7759060ada754153f6dc3ba03d50331"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#ae7759060ada754153f6dc3ba03d50331">yRand</a>·()</td></tr>147 <tr·class="memitem:ae7759060ada754153f6dc3ba03d50331"·id="r_ae7759060ada754153f6dc3ba03d50331"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8c/a06114.html#ae7759060ada754153f6dc3ba03d50331">yRand</a>·()</td></tr>
148 <tr·class="separator:ae7759060ada754153f6dc3ba03d50331"><td·class="memSeparator"·colspan="2">&#160;</td></tr>148 <tr·class="separator:ae7759060ada754153f6dc3ba03d50331"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
149 </table>149 </table>
150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>150 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
151 <div·class="textblock"><p>interface·class·for·validation·of·QSAR-models·</p>151 <div·class="textblock"><p>interface·class·for·validation·of·QSAR-models·</p>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00023">23</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>153 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
154 <a·id="ae846cd87a3c10c85a1fee9b5cd1c0b57"·name="ae846cd87a3c10c85a1fee9b5cd1c0b57"></a>154 <a·id="ae846cd87a3c10c85a1fee9b5cd1c0b57"·name="ae846cd87a3c10c85a1fee9b5cd1c0b57"></a>
155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae846cd87a3c10c85a1fee9b5cd1c0b57">&#9670;&#160;</a></span>Validation()</h2>155 <h2·class="memtitle"><span·class="permalink"><a·href="#ae846cd87a3c10c85a1fee9b5cd1c0b57">&#9670;&#160;</a></span>Validation()</h2>
  
156 <div·class="memitem">156 <div·class="memitem">
157 <div·class="memproto">157 <div·class="memproto">
158 ······<table·class="memname">158 ······<table·class="memname">
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693 ··<td·class="mlabels-right">693 ··<td·class="mlabels-right">
694 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>694 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
695 ··</tr>695 ··</tr>
696 </table>696 </table>
697 </div><div·class="memdoc">697 </div><div·class="memdoc">
698 <p>pointer·to·the·model,·which·the·object·of·this·class·should·test·</p>698 <p>pointer·to·the·model,·which·the·object·of·this·class·should·test·</p>
  
699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>699 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00114">114</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
700 </div>700 </div>
701 </div>701 </div>
702 <a·id="a592cdb17b89eef12ca135bb6f49968d9"·name="a592cdb17b89eef12ca135bb6f49968d9"></a>702 <a·id="a592cdb17b89eef12ca135bb6f49968d9"·name="a592cdb17b89eef12ca135bb6f49968d9"></a>
703 <h2·class="memtitle"><span·class="permalink"><a·href="#a592cdb17b89eef12ca135bb6f49968d9">&#9670;&#160;</a></span>substances_names_</h2>703 <h2·class="memtitle"><span·class="permalink"><a·href="#a592cdb17b89eef12ca135bb6f49968d9">&#9670;&#160;</a></span>substances_names_</h2>
  
704 <div·class="memitem">704 <div·class="memitem">
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718 ··<td·class="mlabels-right">718 ··<td·class="mlabels-right">
719 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>719 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
720 ··</tr>720 ··</tr>
721 </table>721 </table>
722 </div><div·class="memdoc">722 </div><div·class="memdoc">
723 <p>contains·the·names·of·all·current·test-substances·</p>723 <p>contains·the·names·of·all·current·test-substances·</p>
  
724 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>724 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
725 </div>725 </div>
726 </div>726 </div>
727 <a·id="a174064d5c1864cf7654d9088644e7a79"·name="a174064d5c1864cf7654d9088644e7a79"></a>727 <a·id="a174064d5c1864cf7654d9088644e7a79"·name="a174064d5c1864cf7654d9088644e7a79"></a>
728 <h2·class="memtitle"><span·class="permalink"><a·href="#a174064d5c1864cf7654d9088644e7a79">&#9670;&#160;</a></span>test_substances_</h2>728 <h2·class="memtitle"><span·class="permalink"><a·href="#a174064d5c1864cf7654d9088644e7a79">&#9670;&#160;</a></span>test_substances_</h2>
  
729 <div·class="memitem">729 <div·class="memitem">
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743 ··<td·class="mlabels-right">743 ··<td·class="mlabels-right">
744 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>744 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
745 ··</tr>745 ··</tr>
746 </table>746 </table>
747 </div><div·class="memdoc">747 </div><div·class="memdoc">
748 <p>contains·all·substances·whose·activities·are·to·be·predicted·by·the·next·call·of·testAllSubstances()·</p>748 <p>contains·all·substances·whose·activities·are·to·be·predicted·by·the·next·call·of·testAllSubstances()·</p>
  
749 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>749 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
750 </div>750 </div>
751 </div>751 </div>
752 <a·id="ac074a42d5eb165b26c1d99c15c78b4f0"·name="ac074a42d5eb165b26c1d99c15c78b4f0"></a>752 <a·id="ac074a42d5eb165b26c1d99c15c78b4f0"·name="ac074a42d5eb165b26c1d99c15c78b4f0"></a>
753 <h2·class="memtitle"><span·class="permalink"><a·href="#ac074a42d5eb165b26c1d99c15c78b4f0">&#9670;&#160;</a></span>test_Y_</h2>753 <h2·class="memtitle"><span·class="permalink"><a·href="#ac074a42d5eb165b26c1d99c15c78b4f0">&#9670;&#160;</a></span>test_Y_</h2>
  
754 <div·class="memitem">754 <div·class="memitem">
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768 ··<td·class="mlabels-right">768 ··<td·class="mlabels-right">
769 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>769 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
770 ··</tr>770 ··</tr>
771 </table>771 </table>
772 </div><div·class="memdoc">772 </div><div·class="memdoc">
773 <p>contains·the·experimentally·determined·results·(activities)·for·all·current·test-substances·in·one·column·for·each·activity·</p>773 <p>contains·the·experimentally·determined·results·(activities)·for·all·current·test-substances·in·one·column·for·each·activity·</p>
  
774 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>774 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
775 </div>775 </div>
776 </div>776 </div>
777 <a·id="ac34cbc0c32fd360aa2d718d5c400129a"·name="ac34cbc0c32fd360aa2d718d5c400129a"></a>777 <a·id="ac34cbc0c32fd360aa2d718d5c400129a"·name="ac34cbc0c32fd360aa2d718d5c400129a"></a>
778 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34cbc0c32fd360aa2d718d5c400129a">&#9670;&#160;</a></span>validation_statistic_</h2>778 <h2·class="memtitle"><span·class="permalink"><a·href="#ac34cbc0c32fd360aa2d718d5c400129a">&#9670;&#160;</a></span>validation_statistic_</h2>
  
779 <div·class="memitem">779 <div·class="memitem">
Offset 793, 15 lines modifiedOffset 793, 15 lines modified
793 ··<td·class="mlabels-right">793 ··<td·class="mlabels-right">
794 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>794 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
795 ··</tr>795 ··</tr>
796 </table>796 </table>
797 </div><div·class="memdoc">797 </div><div·class="memdoc">
798 <p>the·selected·validation·statistic·</p>798 <p>the·selected·validation·statistic·</p>
  
799 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>799 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00117">117</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
800 </div>800 </div>
801 </div>801 </div>
802 <a·id="acb39d3a5d33ea90657412bde99a8335c"·name="acb39d3a5d33ea90657412bde99a8335c"></a>802 <a·id="acb39d3a5d33ea90657412bde99a8335c"·name="acb39d3a5d33ea90657412bde99a8335c"></a>
803 <h2·class="memtitle"><span·class="permalink"><a·href="#acb39d3a5d33ea90657412bde99a8335c">&#9670;&#160;</a></span>yRand_results_</h2>803 <h2·class="memtitle"><span·class="permalink"><a·href="#acb39d3a5d33ea90657412bde99a8335c">&#9670;&#160;</a></span>yRand_results_</h2>
  
804 <div·class="memitem">804 <div·class="memitem">
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817 ··</td>817 ··</td>
818 ··<td·class="mlabels-right">818 ··<td·class="mlabels-right">
819 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>819 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
820 ··</tr>820 ··</tr>
821 </table>821 </table>
822 </div><div·class="memdoc">822 </div><div·class="memdoc">
  
823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/dd4/a00968_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d7/dd4/a00968_source.html">validation.h</a>.</p>823 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d4a/a00479_source.html#l00119">119</a>·of·file·<a·class="el"·href="../../d9/d4a/a00479_source.html">validation.h</a>.</p>
  
824 </div>824 </div>
825 </div>825 </div>
826 </div><!--·contents·-->826 </div><!--·contents·-->
827 <!--·start·footer·part·-->827 <!--·start·footer·part·-->
828 <hr·class="footer"/><address·class="footer"><small>828 <hr·class="footer"/><address·class="footer"><small>
829 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8829 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Resolution·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::Resolution·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d61/a00302_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/dd0/a01430_source.html">BALL/VIEW/RENDERING/renderTarget.h</a>&gt;</code></p>
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86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:a091c891abdcbaf8bdba44321be245831"·id="r_a091c891abdcbaf8bdba44321be245831"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a091c891abdcbaf8bdba44321be245831">Resolution</a>·()</td></tr>87 <tr·class="memitem:a091c891abdcbaf8bdba44321be245831"·id="r_a091c891abdcbaf8bdba44321be245831"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#a091c891abdcbaf8bdba44321be245831">Resolution</a>·()</td></tr>
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97 <tr·class="memitem:aaefd3ce04c49e68aee02af388bafa229"·id="r_aaefd3ce04c49e68aee02af388bafa229"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a></td></tr>97 <tr·class="memitem:aaefd3ce04c49e68aee02af388bafa229"·id="r_aaefd3ce04c49e68aee02af388bafa229"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d8f/a08338.html#aaefd3ce04c49e68aee02af388bafa229">height</a></td></tr>
98 <tr·class="separator:aaefd3ce04c49e68aee02af388bafa229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:aaefd3ce04c49e68aee02af388bafa229"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock"><p>Stores·a·resolution·consisting·of·width·and·height.·</p>101 <div·class="textblock"><p>Stores·a·resolution·consisting·of·width·and·height.·</p>
  
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
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104 <a·id="a091c891abdcbaf8bdba44321be245831"·name="a091c891abdcbaf8bdba44321be245831"></a>104 <a·id="a091c891abdcbaf8bdba44321be245831"·name="a091c891abdcbaf8bdba44321be245831"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#a091c891abdcbaf8bdba44321be245831">&#9670;&#160;</a></span>Resolution()·<span·class="overload">[1/2]</span></h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#a091c891abdcbaf8bdba44321be245831">&#9670;&#160;</a></span>Resolution()·<span·class="overload">[1/2]</span></h2>
  
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108 <table·class="mlabels">108 <table·class="mlabels">
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121 ··</td>121 ··</td>
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123 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>123 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
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131 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c36e351b0bef458a4516fbd1b40f5f8">&#9670;&#160;</a></span>Resolution()·<span·class="overload">[2/2]</span></h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#a3c36e351b0bef458a4516fbd1b40f5f8">&#9670;&#160;</a></span>Resolution()·<span·class="overload">[2/2]</span></h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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159 ··</td>159 ··</td>
160 ··<td·class="mlabels-right">160 ··<td·class="mlabels-right">
161 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>161 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
162 ··</tr>162 ··</tr>
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164 </div><div·class="memdoc">164 </div><div·class="memdoc">
  
165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>165 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00034">34</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
166 </div>166 </div>
167 </div>167 </div>
168 <h2·class="groupheader">Member·Data·Documentation</h2>168 <h2·class="groupheader">Member·Data·Documentation</h2>
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170 <h2·class="memtitle"><span·class="permalink"><a·href="#aaefd3ce04c49e68aee02af388bafa229">&#9670;&#160;</a></span>height</h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#aaefd3ce04c49e68aee02af388bafa229">&#9670;&#160;</a></span>height</h2>
  
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176 ······<table·class="memname">176 ······<table·class="memname">
177 ········<tr>177 ········<tr>
178 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::height</td>178 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::height</td>
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180 ······</table>180 ······</table>
181 </div><div·class="memdoc">181 </div><div·class="memdoc">
  
182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d61/a00302_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d0/d61/a00302_source.html">renderTarget.h</a>.</p>182 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dd0/a01430_source.html#l00027">27</a>·of·file·<a·class="el"·href="../../d8/dd0/a01430_source.html">renderTarget.h</a>.</p>
  
183 </div>183 </div>
184 </div>184 </div>
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186 <h2·class="memtitle"><span·class="permalink"><a·href="#a94a19d209928d9184c23243d98c8fed0">&#9670;&#160;</a></span>width</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a94a19d209928d9184c23243d98c8fed0">&#9670;&#160;</a></span>width</h2>
  
187 <div·class="memitem">187 <div·class="memitem">
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194 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::width</td>194 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::VIEW::Resolution::width</td>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">molFileFactory.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">motionTrackingEvent.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;QtCore/QEvent&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d5/df4/a01322_source.html">BALL/VIEW/INPUT/deviceEvent.h</a>&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d3/de5/a00209_source.html">BALL/MATHS/quaternion.h</a>&gt;</code><br·/>
82 </div>85 </div>
83 <p><a·href="../../de/d90/a01313_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../de/d90/a01313_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">87 <table·class="memberdecls">
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9b1ba56f93d5f2332ce0debc4bc04e32.html">SYSTEM</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_2797fba308c1ff15cee01237615ba27c.html">SOLVATION</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">file.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">solventParameter.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d93/a01955_source.html">BALL/SOLVATION/solventDescriptor.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/da9/a01934_source.html">BALL/SYSTEM/fileSystem.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d7/d92/a00887_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/MOLMEC/PARAMETER/forceFieldParameters.h</a>&gt;</code><br·/>
84 <code>#include·&lt;cstdlib&gt;</code><br·/> 
85 <code>#include·&lt;sys/stat.h&gt;</code><br·/> 
86 <code>#include·&lt;cstdio&gt;</code><br·/> 
87 <code>#include·&lt;algorithm&gt;</code><br·/> 
88 <code>#include·&lt;iostream&gt;</code><br·/> 
89 <code>#include·&lt;fstream&gt;</code><br·/> 
90 <code>#include·&lt;sys/types.h&gt;</code><br·/> 
91 <code>#include·&lt;map&gt;</code><br·/> 
92 <code>#include·&lt;BALL/SYSTEM/file.iC&gt;</code><br·/> 
93 </div>85 </div>
94 <p><a·href="../../de/d90/a01919_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../de/d90/a01919_source.html">Go·to·the·source·code·of·this·file.</a></p>
95 <table·class="memberdecls">87 <table·class="memberdecls">
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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107 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="../../d5/d7a/a03327.html">List·of·all·members</a>··</div>78 <a·href="../../d5/d7a/a03327.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Processor·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Processor·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
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86 <tr·class="memitem:a10dcd84f0f80bc95719620cbf2266e37"·id="r_a10dcd84f0f80bc95719620cbf2266e37"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom">{·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a36d988e0016b20fbdaa69cbb50174ea3">ABORT</a>·=·086 <tr·class="memitem:a10dcd84f0f80bc95719620cbf2266e37"·id="r_a10dcd84f0f80bc95719620cbf2266e37"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom">{·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a36d988e0016b20fbdaa69cbb50174ea3">ABORT</a>·=·0
87 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f">BREAK</a>·=·187 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f">BREAK</a>·=·1
88 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162">CONTINUE</a>·=·288 ,·<a·class="el"·href="../../de/d93/a03330.html#a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162">CONTINUE</a>·=·2
89 ·}</td></tr>89 ·}</td></tr>
90 <tr·class="separator:a10dcd84f0f80bc95719620cbf2266e37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:a10dcd84f0f80bc95719620cbf2266e37"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 <tr·class="memitem:afc8b424f41762b055b9b22f7e9c22e8a"·id="r_afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memItemLeft"·align="right"·valign="top">typedef·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">Result</a></td></tr>91 <tr·class="memitem:afc8b424f41762b055b9b22f7e9c22e8a"·id="r_afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memItemLeft"·align="right"·valign="top">typedef·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">Result</a></td></tr>
92 <tr·class="separator:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>92 <tr·class="separator:afc8b424f41762b055b9b22f7e9c22e8a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
93 </table>93 </table>
94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>94 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
95 <div·class="textblock"><p>Global·Types·and·Enums·for·Processors·</p>95 <div·class="textblock"><p>Global·Types·and·Enums·for·Processors·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
97 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>97 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
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99 <h2·class="memtitle"><span·class="permalink"><a·href="#afc8b424f41762b055b9b22f7e9c22e8a">&#9670;&#160;</a></span>Result</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#afc8b424f41762b055b9b22f7e9c22e8a">&#9670;&#160;</a></span>Result</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 ······<table·class="memname">102 ······<table·class="memname">
103 ········<tr>103 ········<tr>
104 ··········<td·class="memname">typedef·int·<a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">BALL::Processor::Result</a></td>104 ··········<td·class="memname">typedef·int·<a·class="el"·href="../../de/d93/a03330.html#afc8b424f41762b055b9b22f7e9c22e8a">BALL::Processor::Result</a></td>
105 ········</tr>105 ········</tr>
106 ······</table>106 ······</table>
107 </div><div·class="memdoc">107 </div><div·class="memdoc">
108 <p><a·class="el"·href="../../d5/d46/a03710.html">Result</a>·type·</p>108 <p><a·class="el"·href="../../d5/d46/a03710.html">Result</a>·type·</p>
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
112 <h2·class="groupheader">Member·Enumeration·Documentation</h2>112 <h2·class="groupheader">Member·Enumeration·Documentation</h2>
113 <a·id="a10dcd84f0f80bc95719620cbf2266e37"·name="a10dcd84f0f80bc95719620cbf2266e37"></a>113 <a·id="a10dcd84f0f80bc95719620cbf2266e37"·name="a10dcd84f0f80bc95719620cbf2266e37"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a10dcd84f0f80bc95719620cbf2266e37">&#9670;&#160;</a></span>anonymous·enum</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a10dcd84f0f80bc95719620cbf2266e37">&#9670;&#160;</a></span>anonymous·enum</h2>
  
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132 </td></tr>132 </td></tr>
133 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f"·name="a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f"></a>BREAK&#160;</td><td·class="fielddoc"><p>Break·</p>133 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f"·name="a10dcd84f0f80bc95719620cbf2266e37a719d298a893d4e375b4c495b2e90516f"></a>BREAK&#160;</td><td·class="fielddoc"><p>Break·</p>
134 </td></tr>134 </td></tr>
135 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"·name="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"></a>CONTINUE&#160;</td><td·class="fielddoc"><p>Continue·</p>135 <tr><td·class="fieldname"><a·id="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"·name="a10dcd84f0f80bc95719620cbf2266e37ae3f38a081c3ab196b7189484fee8c162"></a>CONTINUE&#160;</td><td·class="fielddoc"><p>Continue·</p>
136 </td></tr>136 </td></tr>
137 </table>137 </table>
  
138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">processor.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d5e/a00860_source.html#l00040">40</a>·of·file·<a·class="el"·href="../../d2/d5e/a00860_source.html">processor.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
141 </div><!--·contents·-->141 </div><!--·contents·-->
142 <!--·start·footer·part·-->142 <!--·start·footer·part·-->
143 <hr·class="footer"/><address·class="footer"><small>143 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/d98/a07371.html">List·of·all·members</a>··</div>78 <a·href="../../db/d98/a07371.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d19/a01922_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d7e/a00770_source.html">BALL/SYSTEM/mutex.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;:</div>84 Inheritance·diagram·for·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/d93/a07374.png"·usemap="#BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·alt=""/>87 ··<img·src="../../de/d93/a07374.png"·usemap="#BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·alt=""/>
88 ··<map·id="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·name="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map">88 ··<map·id="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map"·name="BALL::TMutexLocker_3C_20MutexLockerType_2C_20MutexType_20_3E_map">
89 <area·href="../../df/d1d/a20022.html"·alt="MutexLockerType"·shape="rect"·coords="0,0,325,24"/>89 <area·href="../../df/d1d/a20022.html"·alt="MutexLockerType"·shape="rect"·coords="0,0,325,24"/>
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97 <tr·class="separator:a5c7db7defc342fc8ba6a8dc3d5530d0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:a5c7db7defc342fc8ba6a8dc3d5530d0a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 </table>98 </table>
99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../df/d1d/a20022.html">MutexLockerType</a>,·class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>100 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·<a·class="el"·href="../../df/d1d/a20022.html">MutexLockerType</a>,·class·<a·class="el"·href="../../d2/ddf/a20018.html">MutexType</a>&gt;<br·/>
101 class·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutexLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>101 class·BALL::TMutexLocker&lt;·MutexLockerType,·MutexType·&gt;</div><p>This·class·provides·a·very·thin·wrapper·around·different·mutex·locker·types.·As·default,·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·supports·QMutexLocker,·but·it·can·be·easily·extended·to·support·the·same·functionality·with·classes·from·boost·or·Intel·Thread·Building·Blocks.</p>
102 <p>A·BALL-mutex·locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d2/d7a/a07366.html">TMutex</a>.·Upon·construction,·the·mutex·is·automatically·locked,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>102 <p>A·BALL-mutex·locker·needs·to·provide·a·constructor·which·is·called·with·a·pointer·to·a·corresponding·<a·class="el"·href="../../d2/d7a/a07366.html">TMutex</a>.·Upon·construction,·the·mutex·is·automatically·locked,·and·is·automatically·unlocked·when·the·mutex·runs·out·of·scope.·</p>
  
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00072">72</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a5c7db7defc342fc8ba6a8dc3d5530d0a"·name="a5c7db7defc342fc8ba6a8dc3d5530d0a"></a>105 <a·id="a5c7db7defc342fc8ba6a8dc3d5530d0a"·name="a5c7db7defc342fc8ba6a8dc3d5530d0a"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c7db7defc342fc8ba6a8dc3d5530d0a">&#9670;&#160;</a></span>TMutexLocker()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a5c7db7defc342fc8ba6a8dc3d5530d0a">&#9670;&#160;</a></span>TMutexLocker()</h2>
  
107 <div·class="memitem">107 <div·class="memitem">
108 <div·class="memproto">108 <div·class="memproto">
109 <div·class="memtemplate">109 <div·class="memtemplate">
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125 ··</td>125 ··</td>
126 ··<td·class="mlabels-right">126 ··<td·class="mlabels-right">
127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>127 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
128 ··</tr>128 ··</tr>
129 </table>129 </table>
130 </div><div·class="memdoc">130 </div><div·class="memdoc">
  
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d19/a01922_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../dd/d19/a01922_source.html">mutex.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d7e/a00770_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d0/d7e/a00770_source.html">mutex.h</a>.</p>
  
132 </div>132 </div>
133 </div>133 </div>
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135 <!--·start·footer·part·-->135 <!--·start·footer·part·-->
136 <hr·class="footer"/><address·class="footer"><small>136 <hr·class="footer"/><address·class="footer"><small>
137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8137 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/d12/a07271.html">List·of·all·members</a>··</div>77 <a·href="../../d0/d12/a07271.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SESComputer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SESComputer·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../dd/daf/a02191.html">Molecular·Surface·Computation</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/dc6/a01793_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../db/d7f/a01718_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code></p>
82 <table·class="memberdecls">82 <table·class="memberdecls">
83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>83 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
84 Public·Member·Functions</h2></td></tr>84 Public·Member·Functions</h2></td></tr>
85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>85 <tr><td·colspan="2"><div·class="groupHeader">Constructors·and·Destructors</div></td></tr>
86 <tr·class="memitem:a03a0cd316b0ecd38a67f5ccf3a43c8ad"·id="r_a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a03a0cd316b0ecd38a67f5ccf3a43c8ad">SESComputer</a>·()</td></tr>86 <tr·class="memitem:a03a0cd316b0ecd38a67f5ccf3a43c8ad"·id="r_a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a03a0cd316b0ecd38a67f5ccf3a43c8ad">SESComputer</a>·()</td></tr>
87 <tr·class="separator:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a03a0cd316b0ecd38a67f5ccf3a43c8ad"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a94414cae0f31d216621b6633191c569a"·id="r_a94414cae0f31d216621b6633191c569a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a94414cae0f31d216621b6633191c569a">SESComputer</a>·(<a·class="el"·href="../../d7/d12/a07270.html">SolventExcludedSurface</a>·*ses)</td></tr>88 <tr·class="memitem:a94414cae0f31d216621b6633191c569a"·id="r_a94414cae0f31d216621b6633191c569a"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#a94414cae0f31d216621b6633191c569a">SESComputer</a>·(<a·class="el"·href="../../d7/d12/a07270.html">SolventExcludedSurface</a>·*ses)</td></tr>
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98 <tr·class="separator:a200eff52eaefe489f970577256c23bdb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>98 <tr·class="separator:a200eff52eaefe489f970577256c23bdb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 <tr·class="memitem:ae8cb85a131e82658b7546accdd554f13"·id="r_ae8cb85a131e82658b7546accdd554f13"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#ae8cb85a131e82658b7546accdd554f13">run</a>·()</td></tr>99 <tr·class="memitem:ae8cb85a131e82658b7546accdd554f13"·id="r_ae8cb85a131e82658b7546accdd554f13"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d94/a07274.html#ae8cb85a131e82658b7546accdd554f13">run</a>·()</td></tr>
100 <tr·class="separator:ae8cb85a131e82658b7546accdd554f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:ae8cb85a131e82658b7546accdd554f13"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p>Generic·<a·class="el"·href="../../de/d94/a07274.html">SESComputer</a>·Class.·&lt;&gt;·</p>103 <div·class="textblock"><p>Generic·<a·class="el"·href="../../de/d94/a07274.html">SESComputer</a>·Class.·&lt;&gt;·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc6/a01793_source.html#l00317">317</a>·of·file·<a·class="el"·href="../../d4/dc6/a01793_source.html">solventExcludedSurface.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00317">317</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a03a0cd316b0ecd38a67f5ccf3a43c8ad"·name="a03a0cd316b0ecd38a67f5ccf3a43c8ad"></a>106 <a·id="a03a0cd316b0ecd38a67f5ccf3a43c8ad"·name="a03a0cd316b0ecd38a67f5ccf3a43c8ad"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a03a0cd316b0ecd38a67f5ccf3a43c8ad">&#9670;&#160;</a></span>SESComputer()·<span·class="overload">[1/2]</span></h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a03a0cd316b0ecd38a67f5ccf3a43c8ad">&#9670;&#160;</a></span>SESComputer()·<span·class="overload">[1/2]</span></h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 ······<table·class="memname">110 ······<table·class="memname">
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208 ··</td>208 ··</td>
209 ··<td·class="mlabels-right">209 ··<td·class="mlabels-right">
210 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>210 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
211 ··</tr>211 ··</tr>
212 </table>212 </table>
213 </div><div·class="memdoc">213 </div><div·class="memdoc">
  
214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc6/a01793_source.html#l00444">444</a>·of·file·<a·class="el"·href="../../d4/dc6/a01793_source.html">solventExcludedSurface.h</a>.</p>214 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00444">444</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
  
215 </div>215 </div>
216 </div>216 </div>
217 <a·id="a200eff52eaefe489f970577256c23bdb"·name="a200eff52eaefe489f970577256c23bdb"></a>217 <a·id="a200eff52eaefe489f970577256c23bdb"·name="a200eff52eaefe489f970577256c23bdb"></a>
218 <h2·class="memtitle"><span·class="permalink"><a·href="#a200eff52eaefe489f970577256c23bdb">&#9670;&#160;</a></span>vertex_grid_</h2>218 <h2·class="memtitle"><span·class="permalink"><a·href="#a200eff52eaefe489f970577256c23bdb">&#9670;&#160;</a></span>vertex_grid_</h2>
  
219 <div·class="memitem">219 <div·class="memitem">
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232 ··</td>232 ··</td>
233 ··<td·class="mlabels-right">233 ··<td·class="mlabels-right">
234 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>234 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
235 ··</tr>235 ··</tr>
236 </table>236 </table>
237 </div><div·class="memdoc">237 </div><div·class="memdoc">
  
238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/dc6/a01793_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../d4/dc6/a01793_source.html">solventExcludedSurface.h</a>.</p>238 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7f/a01718_source.html#l00447">447</a>·of·file·<a·class="el"·href="../../db/d7f/a01718_source.html">solventExcludedSurface.h</a>.</p>
  
239 </div>239 </div>
240 </div>240 </div>
241 </div><!--·contents·-->241 </div><!--·contents·-->
242 <!--·start·footer·part·-->242 <!--·start·footer·part·-->
243 <hr·class="footer"/><address·class="footer"><small>243 <hr·class="footer"/><address·class="footer"><small>
244 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8244 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li><li·class="navelem"><a·class="el"·href="../../dir_6ac6220cac5eaca96612654e61f12e3a.html">BONDORDERS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">forceFieldParameters.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">KGreedyBondOrderStrategy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/> 
84 </div>84 </div>
85 <p><a·href="../../de/d96/a01685_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d96/a01685_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d9e/a05378.html">BALL::ForceFieldParameters</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d52/a06806.html">BALL::KGreedyBondOrderStrategy</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d58/a06810.html">BALL::KGreedyBondOrderStrategy::Option</a></td></tr>
 92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/d58/a06810.html"·title="Option·names.">Option</a>·names.··<a·href="../../d9/d58/a06810.html#details">More...</a><br·/></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d85/a06814.html">BALL::KGreedyBondOrderStrategy::Default</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>99 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../df/d4a/a03051.html">List·of·all·members</a>··</div>79 <a·href="../../df/d4a/a03051.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexUnderflow·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::IndexUnderflow·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
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85 Inheritance·diagram·for·BALL::Exception::IndexUnderflow:</div>85 Inheritance·diagram·for·BALL::Exception::IndexUnderflow:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/d96/a03054.png"·usemap="#BALL::Exception::IndexUnderflow_map"·alt=""/>88 ··<img·src="../../de/d96/a03054.png"·usemap="#BALL::Exception::IndexUnderflow_map"·alt=""/>
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90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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149 ··<table·class="params">149 ··<table·class="params">
150 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>150 ····<tr><td·class="paramname">index</td><td>the·value·of·the·index·causing·the·problem·</td></tr>
151 ····<tr><td·class="paramname">size</td><td>smallest·value·allowed·for·index·</td></tr>151 ····<tr><td·class="paramname">size</td><td>smallest·value·allowed·for·index·</td></tr>
152 ··</table>152 ··</table>
153 ··</dd>153 ··</dd>
154 </dl>154 </dl>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00122">122</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
157 <a·id="ab9c991c0d60ca18250fbf128be92724d"·name="ab9c991c0d60ca18250fbf128be92724d"></a>157 <a·id="ab9c991c0d60ca18250fbf128be92724d"·name="ab9c991c0d60ca18250fbf128be92724d"></a>
158 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9c991c0d60ca18250fbf128be92724d">&#9670;&#160;</a></span>IndexUnderflow()</h2>158 <h2·class="memtitle"><span·class="permalink"><a·href="#ab9c991c0d60ca18250fbf128be92724d">&#9670;&#160;</a></span>IndexUnderflow()</h2>
  
159 <div·class="memitem">159 <div·class="memitem">
160 <div·class="memproto">160 <div·class="memproto">
161 ······<table·class="memname">161 ······<table·class="memname">
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212 ··</td>212 ··</td>
213 ··<td·class="mlabels-right">213 ··<td·class="mlabels-right">
214 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>214 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
215 ··</tr>215 ··</tr>
216 </table>216 </table>
217 </div><div·class="memdoc">217 </div><div·class="memdoc">
  
218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>218 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00133">133</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
219 </div>219 </div>
220 </div>220 </div>
221 <a·id="a482fbd763bc7e1145134b228c92f780b"·name="a482fbd763bc7e1145134b228c92f780b"></a>221 <a·id="a482fbd763bc7e1145134b228c92f780b"·name="a482fbd763bc7e1145134b228c92f780b"></a>
222 <h2·class="memtitle"><span·class="permalink"><a·href="#a482fbd763bc7e1145134b228c92f780b">&#9670;&#160;</a></span>size_</h2>222 <h2·class="memtitle"><span·class="permalink"><a·href="#a482fbd763bc7e1145134b228c92f780b">&#9670;&#160;</a></span>size_</h2>
  
223 <div·class="memitem">223 <div·class="memitem">
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236 ··</td>236 ··</td>
237 ··<td·class="mlabels-right">237 ··<td·class="mlabels-right">
238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>238 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
239 ··</tr>239 ··</tr>
240 </table>240 </table>
241 </div><div·class="memdoc">241 </div><div·class="memdoc">
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00132">132</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
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 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
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69 </div><!--·top·-->73 </div><!--·top·-->
70 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
 76 <a·href="#define-members">Macros</a>··</div>
71 ··<div·class="headertitle"><div·class="title">datatype.doc·File·Reference</div></div>77 ··<div·class="headertitle"><div·class="title">forEach.h·File·Reference</div></div>
72 </div><!--header-->78 </div><!--header-->
73 <div·class="contents">79 <div·class="contents">
 80 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 81 </div>
 82 <p><a·href="../../de/d98/a20341_source.html">Go·to·the·source·code·of·this·file.</a></p>
 83 <table·class="memberdecls">
 84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a>
 85 Macros</h2></td></tr>
 86 <tr·class="memitem:ae3d1bf0414c7338e893225c0544c2b2c"·id="r_ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d98/a20341.html#ae3d1bf0414c7338e893225c0544c2b2c">BALL_FOREACH</a>(container,··element_iterator)</td></tr>
 87 <tr·class="separator:ae3d1bf0414c7338e893225c0544c2b2c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 88 </table>
 89 <h2·class="groupheader">Macro·Definition·Documentation</h2>
 90 <a·id="ae3d1bf0414c7338e893225c0544c2b2c"·name="ae3d1bf0414c7338e893225c0544c2b2c"></a>
 91 <h2·class="memtitle"><span·class="permalink"><a·href="#ae3d1bf0414c7338e893225c0544c2b2c">&#9670;&#160;</a></span>BALL_FOREACH</h2>
  
 92 <div·class="memitem">
 93 <div·class="memproto">
 94 ······<table·class="memname">
 95 ········<tr>
 96 ··········<td·class="memname">#define·BALL_FOREACH</td>
 97 ··········<td>(</td>
 98 ··········<td·class="paramtype">&#160;</td>
 99 ··········<td·class="paramname">container,·</td>
 100 ········</tr>
 101 ········<tr>
 102 ··········<td·class="paramkey"></td>
 103 ··········<td></td>
 104 ··········<td·class="paramtype">&#160;</td>
 105 ··········<td·class="paramname">element_iterator&#160;</td>
 106 ········</tr>
 107 ········<tr>
 108 ··········<td></td>
 109 ··········<td>)</td>
 110 ··········<td></td><td></td>
 111 ········</tr>
 112 ······</table>
 113 </div><div·class="memdoc">
 114 <b>Value:</b><div·class="fragment"><div·class="line"><span·class="keywordflow">for</span>·(element_iterator·=·container.begin();·\</div>
 115 <div·class="line">·····!element_iterator.isEnd();·\</div>
 116 <div·class="line">·····++element_iterator)</div>
 117 </div><!--·fragment·--><p>Container·Iteration·Macro.·Use·this·macro·for·convenient·iteration·over·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·container·classes.·</p><dl·class="section·user"><dt></dt><dd><b>Example:</b>·</dd></dl>
 118 <dl·class="section·user"><dt></dt><dd><pre·class="fragment">····HashMap&lt;int,int&gt;·hm;
 119 ····HashMap&lt;int,int&gt;::Iterator·it;
 120 ····BALL_FOREACH(p,it)
 121 ····{
 122 ······cout·&lt;&lt;·it-&gt;first·&lt;&lt;·endl;
 123 ····}
 124 </pre>·<pre·class="fragment">@param·container·an·instance·of·a·BALL·container·class
 125 @param·element_iterator·an·iterator·of·the·container·class
  
 126 \ingroup··DatatypeMiscellaneous
 127 </pre>·</dd></dl>
  
 128 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d98/a20341_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../de/d98/a20341_source.html">DATATYPE/forEach.h</a>.</p>
  
 129 </div>
 130 </div>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/d93/a06887.html">List·of·all·members</a>··</div>77 <a·href="../../d8/d93/a06887.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::FragmentDistanceCollector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::FragmentDistanceCollector·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../dc/d3c/a02188.html">Molecular·Structure</a>·&raquo;·<a·class="el"·href="../../d8/db0/a02196.html">Geometric·property·processors.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::FragmentDistanceCollector:</div>83 Inheritance·diagram·for·BALL::FragmentDistanceCollector:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/d9b/a06890.png"·usemap="#BALL::FragmentDistanceCollector_map"·alt=""/>86 ··<img·src="../../de/d9b/a06890.png"·usemap="#BALL::FragmentDistanceCollector_map"·alt=""/>
87 ··<map·id="BALL::FragmentDistanceCollector_map"·name="BALL::FragmentDistanceCollector_map">87 ··<map·id="BALL::FragmentDistanceCollector_map"·name="BALL::FragmentDistanceCollector_map">
88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>88 <area·href="../../db/dee/a03338.html"·alt="BALL::ConstUnaryProcessor&lt;·Composite·&gt;"·shape="rect"·coords="0,56,316,80"/>
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153 <div·class="textblock"><p>Collects·all·MolecularFragments·that·are·close·enough·to·another·molecular·fragment.·This·processor·examines·the·distances·between·every·atom·of·a·given·fragment·(further·referred·to·as·the·reference·fragment)·and·all·other·atoms·in·a·molecular·object·he·is·applied·to.·If·any·atom·of·a·fragment·is·closer·to·any·atom·of·the·reference·fragment,·the·whole·fragment·is·collected·in·an·array.·</p><dl·class="section·user"><dt></dt><dd>The·reference·fragment·itself·is·also·contained·in·this·array,·if·it·is·part·of·the·molecular·object·the·collector·is·applied·to.·</dd></dl>153 <div·class="textblock"><p>Collects·all·MolecularFragments·that·are·close·enough·to·another·molecular·fragment.·This·processor·examines·the·distances·between·every·atom·of·a·given·fragment·(further·referred·to·as·the·reference·fragment)·and·all·other·atoms·in·a·molecular·object·he·is·applied·to.·If·any·atom·of·a·fragment·is·closer·to·any·atom·of·the·reference·fragment,·the·whole·fragment·is·collected·in·an·array.·</p><dl·class="section·user"><dt></dt><dd>The·reference·fragment·itself·is·also·contained·in·this·array,·if·it·is·part·of·the·molecular·object·the·collector·is·applied·to.·</dd></dl>
154 <dl·class="section·user"><dt></dt><dd>The·array·only·contains·pointers·to·the·fragments,·the·fragments·are·neither·changed,·nor·removed·from·the·molecular·object.·</dd></dl>154 <dl·class="section·user"><dt></dt><dd>The·array·only·contains·pointers·to·the·fragments,·the·fragments·are·neither·changed,·nor·removed·from·the·molecular·object.·</dd></dl>
155 <dl·class="section·user"><dt></dt><dd>The·reference·fragment·may·either·be·given·by·a·specialized·constructor·(also·together·with·the·distance)·or·using·<a·class="el"·href="../../">setFragment·</a>·.·</dd></dl>155 <dl·class="section·user"><dt></dt><dd>The·reference·fragment·may·either·be·given·by·a·specialized·constructor·(also·together·with·the·distance)·or·using·<a·class="el"·href="../../">setFragment·</a>·.·</dd></dl>
156 <dl·class="section·user"><dt></dt><dd>The·fragment·array·is·emptied·prior·to·each·collection·run.·</dd></dl>156 <dl·class="section·user"><dt></dt><dd>The·fragment·array·is·emptied·prior·to·each·collection·run.·</dd></dl>
157 <dl·class="section·user"><dt></dt><dd></dd></dl>157 <dl·class="section·user"><dt></dt><dd></dd></dl>
158 <dl·class="section·user"><dt></dt><dd></dd></dl>158 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>160 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
161 <a·id="aa9e528b8f8d56ac1e0dc66fec0837d2c"·name="aa9e528b8f8d56ac1e0dc66fec0837d2c"></a>161 <a·id="aa9e528b8f8d56ac1e0dc66fec0837d2c"·name="aa9e528b8f8d56ac1e0dc66fec0837d2c"></a>
162 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9e528b8f8d56ac1e0dc66fec0837d2c">&#9670;&#160;</a></span>FragmentDistanceCollector()·<span·class="overload">[1/3]</span></h2>162 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9e528b8f8d56ac1e0dc66fec0837d2c">&#9670;&#160;</a></span>FragmentDistanceCollector()·<span·class="overload">[1/3]</span></h2>
  
163 <div·class="memitem">163 <div·class="memitem">
164 <div·class="memproto">164 <div·class="memproto">
165 ······<table·class="memname">165 ······<table·class="memname">
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255 ··</td>255 ··</td>
256 ··<td·class="mlabels-right">256 ··<td·class="mlabels-right">
257 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>257 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
258 ··</tr>258 ··</tr>
259 </table>259 </table>
260 </div><div·class="memdoc">260 </div><div·class="memdoc">
  
261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00227">227</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>261 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00227">227</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
262 </div>262 </div>
263 </div>263 </div>
264 <h2·class="groupheader">Member·Function·Documentation</h2>264 <h2·class="groupheader">Member·Function·Documentation</h2>
265 <a·id="a812cb3ee7a4e94d31e567144d8cc9bc0"·name="a812cb3ee7a4e94d31e567144d8cc9bc0"></a>265 <a·id="a812cb3ee7a4e94d31e567144d8cc9bc0"·name="a812cb3ee7a4e94d31e567144d8cc9bc0"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#a812cb3ee7a4e94d31e567144d8cc9bc0">&#9670;&#160;</a></span>finish()</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#a812cb3ee7a4e94d31e567144d8cc9bc0">&#9670;&#160;</a></span>finish()</h2>
  
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465 ··</td>465 ··</td>
466 ··<td·class="mlabels-right">466 ··<td·class="mlabels-right">
467 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>467 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
468 ··</tr>468 ··</tr>
469 </table>469 </table>
470 </div><div·class="memdoc">470 </div><div·class="memdoc">
  
471 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00294">294</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>471 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00294">294</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
472 </div>472 </div>
473 </div>473 </div>
474 <a·id="aa3780e41a88637dfd74aaa5a0c7d316a"·name="aa3780e41a88637dfd74aaa5a0c7d316a"></a>474 <a·id="aa3780e41a88637dfd74aaa5a0c7d316a"·name="aa3780e41a88637dfd74aaa5a0c7d316a"></a>
475 <h2·class="memtitle"><span·class="permalink"><a·href="#aa3780e41a88637dfd74aaa5a0c7d316a">&#9670;&#160;</a></span>fragments</h2>475 <h2·class="memtitle"><span·class="permalink"><a·href="#aa3780e41a88637dfd74aaa5a0c7d316a">&#9670;&#160;</a></span>fragments</h2>
  
476 <div·class="memitem">476 <div·class="memitem">
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482 ········<tr>482 ········<tr>
483 ··········<td·class="memname">std::vector&lt;const·<a·class="el"·href="../../db/da2/a04526.html">Fragment</a>*&gt;·BALL::FragmentDistanceCollector::fragments</td>483 ··········<td·class="memname">std::vector&lt;const·<a·class="el"·href="../../db/da2/a04526.html">Fragment</a>*&gt;·BALL::FragmentDistanceCollector::fragments</td>
484 ········</tr>484 ········</tr>
485 ······</table>485 ······</table>
486 </div><div·class="memdoc">486 </div><div·class="memdoc">
487 <p>The·array·containing·all·molecular·fragments·collected·</p>487 <p>The·array·containing·all·molecular·fragments·collected·</p>
  
488 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00289">289</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>488 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00289">289</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
489 </div>489 </div>
490 </div>490 </div>
491 <a·id="a8939d30687428d1dc2a6d7b84ca5574f"·name="a8939d30687428d1dc2a6d7b84ca5574f"></a>491 <a·id="a8939d30687428d1dc2a6d7b84ca5574f"·name="a8939d30687428d1dc2a6d7b84ca5574f"></a>
492 <h2·class="memtitle"><span·class="permalink"><a·href="#a8939d30687428d1dc2a6d7b84ca5574f">&#9670;&#160;</a></span>reference_composite_</h2>492 <h2·class="memtitle"><span·class="permalink"><a·href="#a8939d30687428d1dc2a6d7b84ca5574f">&#9670;&#160;</a></span>reference_composite_</h2>
  
493 <div·class="memitem">493 <div·class="memitem">
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506 ··</td>506 ··</td>
507 ··<td·class="mlabels-right">507 ··<td·class="mlabels-right">
508 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>508 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
509 ··</tr>509 ··</tr>
510 </table>510 </table>
511 </div><div·class="memdoc">511 </div><div·class="memdoc">
  
512 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00295">295</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>512 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00295">295</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
513 </div>513 </div>
514 </div>514 </div>
515 <a·id="a51bffb13cfa25a8371934ca3452bbbfb"·name="a51bffb13cfa25a8371934ca3452bbbfb"></a>515 <a·id="a51bffb13cfa25a8371934ca3452bbbfb"·name="a51bffb13cfa25a8371934ca3452bbbfb"></a>
516 <h2·class="memtitle"><span·class="permalink"><a·href="#a51bffb13cfa25a8371934ca3452bbbfb">&#9670;&#160;</a></span>squared_distance_</h2>516 <h2·class="memtitle"><span·class="permalink"><a·href="#a51bffb13cfa25a8371934ca3452bbbfb">&#9670;&#160;</a></span>squared_distance_</h2>
  
517 <div·class="memitem">517 <div·class="memitem">
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530 ··</td>530 ··</td>
531 ··<td·class="mlabels-right">531 ··<td·class="mlabels-right">
532 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>532 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
533 ··</tr>533 ··</tr>
534 </table>534 </table>
535 </div><div·class="memdoc">535 </div><div·class="memdoc">
  
536 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d0d/a01904_source.html#l00296">296</a>·of·file·<a·class="el"·href="../../d4/d0d/a01904_source.html">geometricProperties.h</a>.</p>536 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00296">296</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">geometricProperties.h</a>.</p>
  
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538 </div>538 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">baseIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">mesh.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dd7/a00260_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d8/dbe/a01370_source.html">BALL/VIEW/DATATYPE/colorExtensions.h</a>&gt;</code><br·/>
84 </div>84 </div>
85 <p><a·href="../../de/d9d/a01382_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/d9d/a01382_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">86 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>88 Classes</h2></td></tr>
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93 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">diffScoringFunction.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">aromaticRingStacking.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d15/a00416_source.html">BALL/QSAR/aromaticityProcessor.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d3/d29/a00419_source.html">BALL/QSAR/ringPerceptionProcessor.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../de/d46/a01967_source.html">BALL/SCORING/COMMON/scoringComponent.h</a>&gt;</code><br·/>
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d50/a02081_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d5/dd7/a01970_source.html">BALL/SCORING/COMMON/scoringFunction.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d3a/a01622_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>86 <code>#include·&lt;<a·class="el"·href="../../da/d14/a02066_source.html">BALL/SCORING/COMPONENTS/CHPI.h</a>&gt;</code><br·/>
83 </div>87 </div>
84 <p><a·href="../../de/d9d/a02072_source.html">Go·to·the·source·code·of·this·file.</a></p>88 <p><a·href="../../de/d9d/a02072_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">89 <table·class="memberdecls">
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">shiftModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">modularWidget.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d0d/a01091_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/d30/a00848_source.html">BALL/CONCEPT/embeddable.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d6/d8d/a01007_source.html">BALL/VIEW/KERNEL/connectionObject.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/dd8/a01265_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/VIEW/KERNEL/UIOperationMode.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;QtGui/QKeySequence&gt;</code><br·/>
 85 <code>#include·&lt;QtWidgets/QToolBar&gt;</code><br·/>
84 </div>86 </div>
85 <p><a·href="../../de/d9e/a01061_source.html">Go·to·the·source·code·of·this·file.</a></p>87 <p><a·href="../../de/d9e/a01061_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">88 <table·class="memberdecls">
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97 </div><!--·contents·-->101 </div><!--·contents·-->
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79 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PierottiCavFreeEnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/dba/a01940_source.html">BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::PierottiCavFreeEnergyProcessor:</div>84 Inheritance·diagram·for·BALL::PierottiCavFreeEnergyProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/d9f/a06554.png"·usemap="#BALL::PierottiCavFreeEnergyProcessor_map"·alt=""/>87 ··<img·src="../../de/d9f/a06554.png"·usemap="#BALL::PierottiCavFreeEnergyProcessor_map"·alt=""/>
88 ··<map·id="BALL::PierottiCavFreeEnergyProcessor_map"·name="BALL::PierottiCavFreeEnergyProcessor_map">88 ··<map·id="BALL::PierottiCavFreeEnergyProcessor_map"·name="BALL::PierottiCavFreeEnergyProcessor_map">
89 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>89 <area·href="../../de/db6/a03826.html"·alt="BALL::EnergyProcessor"·shape="rect"·coords="0,112,341,136"/>
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174 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>174 <tr·class="memitem:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"·id="r_a3ea3669e5486c28c28cc24716f7b058b"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db6/a03826.html#a3ea3669e5486c28c28cc24716f7b058b">valid_</a></td></tr>
175 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>175 <tr·class="separator:a3ea3669e5486c28c28cc24716f7b058b·inherit·pro_attribs_a03826"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
176 </table>176 </table>
177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>177 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>Energy·returned·in·units·of·kJ/mol.·</dd></dl>178 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·the·computation·of·the·cavitation·free·energy.·This·processor·is·using·the·SPT·theory·approach·by·Pierotti,·Chem.·Rev.·76(6):717&ndash;726,·1976·with·the·modification·for·non-spherical·solutes·by·Huron/Claverie,·J.·Phys.·Chem.·76(15):2123-2133,·1972.·</p><dl·class="section·user"><dt></dt><dd>Energy·returned·in·units·of·kJ/mol.·</dd></dl>
179 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>179 <dl·class="section·user"><dt></dt><dd>&lt;&gt;·</dd></dl>
  
180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>180 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>181 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
182 <a·id="a3d5827984ec37082081b98a340522bd5"·name="a3d5827984ec37082081b98a340522bd5"></a>182 <a·id="a3d5827984ec37082081b98a340522bd5"·name="a3d5827984ec37082081b98a340522bd5"></a>
183 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5827984ec37082081b98a340522bd5">&#9670;&#160;</a></span>PierottiCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>183 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d5827984ec37082081b98a340522bd5">&#9670;&#160;</a></span>PierottiCavFreeEnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
184 <div·class="memitem">184 <div·class="memitem">
185 <div·class="memproto">185 <div·class="memproto">
186 ······<table·class="memname">186 ······<table·class="memname">
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349 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PierottiCavFreeEnergyProcessor::options</td>349 ··········<td·class="memname"><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·BALL::PierottiCavFreeEnergyProcessor::options</td>
350 ········</tr>350 ········</tr>
351 ······</table>351 ······</table>
352 </div><div·class="memdoc">352 </div><div·class="memdoc">
353 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>353 <p><a·class="el"·href="../../d0/d31/a03558.html">Options</a>·for·the·calculation·of·the·caviation·free·energy·</p>
  
354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d8b/a00059_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d3/d8b/a00059_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>354 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/dba/a01940_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d5/dba/a01940_source.html">pierottiCavFreeEnergyProcessor.h</a>.</p>
  
355 </div>355 </div>
356 </div>356 </div>
357 </div><!--·contents·-->357 </div><!--·contents·-->
358 <!--·start·footer·part·-->358 <!--·start·footer·part·-->
359 <hr·class="footer"/><address·class="footer"><small>359 <hr·class="footer"/><address·class="footer"><small>
360 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8360 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../dc/d4f/a06727.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d4f/a06727.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::BranchAndBoundBondOrderStrategy·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d20/a01772_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d12/a01703_source.html">BALL/STRUCTURE/BONDORDERS/branchAndBoundBondOrderStrategy.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::BranchAndBoundBondOrderStrategy:</div>84 Inheritance·diagram·for·BALL::BranchAndBoundBondOrderStrategy:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/d9f/a06730.png"·usemap="#BALL::BranchAndBoundBondOrderStrategy_map"·alt=""/>87 ··<img·src="../../de/d9f/a06730.png"·usemap="#BALL::BranchAndBoundBondOrderStrategy_map"·alt=""/>
88 ··<map·id="BALL::BranchAndBoundBondOrderStrategy_map"·name="BALL::BranchAndBoundBondOrderStrategy_map">88 ··<map·id="BALL::BranchAndBoundBondOrderStrategy_map"·name="BALL::BranchAndBoundBondOrderStrategy_map">
89 <area·href="../../db/d52/a06806.html"·alt="BALL::KGreedyBondOrderStrategy"·shape="rect"·coords="0,112,259,136"/>89 <area·href="../../db/d52/a06806.html"·alt="BALL::KGreedyBondOrderStrategy"·shape="rect"·coords="0,112,259,136"/>
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161 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<br·/></td></tr>161 <tr·class="memdesc:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·priority·queue.··<br·/></td></tr>
162 <tr·class="separator:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="memSeparator"·colspan="2">&#160;</td></tr>162 <tr·class="separator:ac4ffb0a01f3871dbf92e338ed6b93ee3·inherit·pro_attribs_a06706"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
163 </table>163 </table>
164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>164 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
165 <div·class="textblock"><p>Branch-and-bound·algorithm·for·bond·order·assignment.</p>165 <div·class="textblock"><p>Branch-and-bound·algorithm·for·bond·order·assignment.</p>
166 <p>This·class·implements·a·(possibly·sub-optimal)·branch·and·bound·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·KGreedy·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../db/d52/a06806.html">KGreedyBondOrderStrategy·</a>.·</p>166 <p>This·class·implements·a·(possibly·sub-optimal)·branch·and·bound·approach·for·the·bond·order·assignment·problem·that·can·be·used·by·the·<a·class="el"·href="../../dd/da3/a06634.html">AssignBondOrderProcessor·</a>.·The·implementation·of·this·strategy·is·very·similar·to·the·KGreedy·approach·and·much·of·its·functionality·can·be·reused.·We·thus·derive·from·<a·class="el"·href="../../db/d52/a06806.html">KGreedyBondOrderStrategy·</a>.·</p>
  
167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d20/a01772_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../dd/d20/a01772_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>167 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d12/a01703_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../df/d12/a01703_source.html">branchAndBoundBondOrderStrategy.h</a>.</p>
168 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>168 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
169 <a·id="ab29c3441b34059a6ef3676bb92deee08"·name="ab29c3441b34059a6ef3676bb92deee08"></a>169 <a·id="ab29c3441b34059a6ef3676bb92deee08"·name="ab29c3441b34059a6ef3676bb92deee08"></a>
170 <h2·class="memtitle"><span·class="permalink"><a·href="#ab29c3441b34059a6ef3676bb92deee08">&#9670;&#160;</a></span>BranchAndBoundBondOrderStrategy()</h2>170 <h2·class="memtitle"><span·class="permalink"><a·href="#ab29c3441b34059a6ef3676bb92deee08">&#9670;&#160;</a></span>BranchAndBoundBondOrderStrategy()</h2>
  
171 <div·class="memitem">171 <div·class="memitem">
172 <div·class="memproto">172 <div·class="memproto">
173 ······<table·class="memname">173 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/d53/a04623.html">List·of·all·members</a>··</div>78 <a·href="../../df/d53/a04623.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ResidueIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ResidueIteratorTraits·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d3/d23/a02120.html">Kernel·Classes</a>·&raquo;·<a·class="el"·href="../../d3/d28/a02147.html">Iterator·Classes</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a00884_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/db1/a00590_source.html">BALL/KERNEL/residueIterator.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ResidueIteratorTraits:</div>84 Inheritance·diagram·for·BALL::ResidueIteratorTraits:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/da0/a04626.png"·usemap="#BALL::ResidueIteratorTraits_map"·alt=""/>87 ··<img·src="../../de/da0/a04626.png"·usemap="#BALL::ResidueIteratorTraits_map"·alt=""/>
88 ··<map·id="BALL::ResidueIteratorTraits_map"·name="BALL::ResidueIteratorTraits_map">88 ··<map·id="BALL::ResidueIteratorTraits_map"·name="BALL::ResidueIteratorTraits_map">
89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>89 <area·href="../../df/de9/a04534.html"·alt="BALL::CompositeIteratorTraits"·shape="rect"·coords="0,0,178,24"/>
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191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>191 <tr·class="memitem:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"·id="r_a026f7cf82d5cebea86731d0ad1068971"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d0/d7c/a03318.html">UnaryPredicate</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&gt;·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a04534.html#a026f7cf82d5cebea86731d0ad1068971">predicate_</a></td></tr>
192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>192 <tr·class="memdesc:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·predicate.··<br·/></td></tr>
193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>193 <tr·class="separator:a026f7cf82d5cebea86731d0ad1068971·inherit·pro_attribs_a04534"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
194 </table>194 </table>
195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>195 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
196 <div·class="textblock"><p><a·class="el"·href="../../de/da0/a04626.html">ResidueIteratorTraits</a>·</p>196 <div·class="textblock"><p><a·class="el"·href="../../de/da0/a04626.html">ResidueIteratorTraits</a>·</p>
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">residueIterator.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00024">24</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>198 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
199 <a·id="ab791328840198f0040e1b2c6ff453ef6"·name="ab791328840198f0040e1b2c6ff453ef6"></a>199 <a·id="ab791328840198f0040e1b2c6ff453ef6"·name="ab791328840198f0040e1b2c6ff453ef6"></a>
200 <h2·class="memtitle"><span·class="permalink"><a·href="#ab791328840198f0040e1b2c6ff453ef6">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[1/3]</span></h2>200 <h2·class="memtitle"><span·class="permalink"><a·href="#ab791328840198f0040e1b2c6ff453ef6">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[1/3]</span></h2>
  
201 <div·class="memitem">201 <div·class="memitem">
202 <div·class="memproto">202 <div·class="memproto">
203 <table·class="mlabels">203 <table·class="mlabels">
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216 ··</td>216 ··</td>
217 ··<td·class="mlabels-right">217 ··<td·class="mlabels-right">
218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>218 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
219 ··</tr>219 ··</tr>
220 </table>220 </table>
221 </div><div·class="memdoc">221 </div><div·class="memdoc">
  
222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">residueIterator.h</a>.</p>222 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
223 </div>223 </div>
224 </div>224 </div>
225 <a·id="ad1d19ec915c685db1ba96cca03485c92"·name="ad1d19ec915c685db1ba96cca03485c92"></a>225 <a·id="ad1d19ec915c685db1ba96cca03485c92"·name="ad1d19ec915c685db1ba96cca03485c92"></a>
226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1d19ec915c685db1ba96cca03485c92">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[2/3]</span></h2>226 <h2·class="memtitle"><span·class="permalink"><a·href="#ad1d19ec915c685db1ba96cca03485c92">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[2/3]</span></h2>
  
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244 ··</td>244 ··</td>
245 ··<td·class="mlabels-right">245 ··<td·class="mlabels-right">
246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>246 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
247 ··</tr>247 ··</tr>
248 </table>248 </table>
249 </div><div·class="memdoc">249 </div><div·class="memdoc">
  
250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">residueIterator.h</a>.</p>250 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
251 </div>251 </div>
252 </div>252 </div>
253 <a·id="acc7b4a17fc957c8bca2bc8a2d4f329ae"·name="acc7b4a17fc957c8bca2bc8a2d4f329ae"></a>253 <a·id="acc7b4a17fc957c8bca2bc8a2d4f329ae"·name="acc7b4a17fc957c8bca2bc8a2d4f329ae"></a>
254 <h2·class="memtitle"><span·class="permalink"><a·href="#acc7b4a17fc957c8bca2bc8a2d4f329ae">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[3/3]</span></h2>254 <h2·class="memtitle"><span·class="permalink"><a·href="#acc7b4a17fc957c8bca2bc8a2d4f329ae">&#9670;&#160;</a></span>ResidueIteratorTraits()·<span·class="overload">[3/3]</span></h2>
  
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288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a00884_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../dd/d08/a00884_source.html">residueIterator.h</a>.</p>288 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db1/a00590_source.html#l00041">41</a>·of·file·<a·class="el"·href="../../d7/db1/a00590_source.html">residueIterator.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordREMARK·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordREMARK·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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78 <a·href="#define-members">Macros</a>··</div> 
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81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
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85 <p><a·href="../../de/da9/a01934_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/da9/a01934_source.html">Go·to·the·source·code·of·this·file.</a></p>
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102 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
103 <a·id="a72d2d1fbb3820a5d0bd2c980446dc622"·name="a72d2d1fbb3820a5d0bd2c980446dc622"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a72d2d1fbb3820a5d0bd2c980446dc622">&#9670;&#160;</a></span>BALL_PATH_MAX</h2> 
  
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106 <div·class="memproto"> 
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108 ········<tr> 
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110 ········</tr> 
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114 </div> 
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">disulfidBondProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">disulfidBondProcessor.h·File·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
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83 <code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/deb/a00710_source.html">BALL/MATHS/angle.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
85 </div>84 </div>
86 <p><a·href="../../de/db5/a01730_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/db5/a01730_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d45/a07086.html">BALL::ResidueRotamerSet::RotamerProbabilityGreaterThan_</a></td></tr> 
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100 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d9/dc9/a03823.html">List·of·all·members</a>··</div>77 <a·href="../../d9/dc9/a03823.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::EnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::EnergyProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d74/a02137.html">Energy·evaluation·(non-MM)</a>·&raquo;·<a·class="el"·href="../../d0/d13/a02139.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d8/d4e/a01355_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/d9b/a01889_source.html">BALL/ENERGY/energyProcessor.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::EnergyProcessor:</div>83 Inheritance·diagram·for·BALL::EnergyProcessor:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/db6/a03826.png"·usemap="#BALL::EnergyProcessor_map"·alt=""/>86 ··<img·src="../../de/db6/a03826.png"·usemap="#BALL::EnergyProcessor_map"·alt=""/>
87 ··<map·id="BALL::EnergyProcessor_map"·name="BALL::EnergyProcessor_map">87 ··<map·id="BALL::EnergyProcessor_map"·name="BALL::EnergyProcessor_map">
88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>88 <area·href="../../d2/db9/a03334.html"·alt="BALL::UnaryProcessor&lt;·AtomContainer·&gt;"·shape="rect"·coords="1053,56,1394,80"/>
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157 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>157 <tr·class="separator:aca8cefb33c4b6745e085cd5b908528b1·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
158 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>158 <tr·class="memitem:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"·id="r_acabbb8f9a8b026eba7c16e52b1aaa67e"><td·class="memItemLeft"·align="right"·valign="top">typedef·const·ArgumentType·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dbe/a03210.html#acabbb8f9a8b026eba7c16e52b1aaa67e">const_argument_pointer</a></td></tr>
159 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>159 <tr·class="separator:acabbb8f9a8b026eba7c16e52b1aaa67e·inherit·pub_types_a03210"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
160 </table>160 </table>
161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>161 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
162 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·energy·calculations.·With·this·class·we·provide·an·interface·to·different·(free)·energy·calculations.·</p>162 <div·class="textblock"><p><a·class="el"·href="../../de/d93/a03330.html">Processor</a>·for·energy·calculations.·With·this·class·we·provide·an·interface·to·different·(free)·energy·calculations.·</p>
  
163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d4e/a01355_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d8/d4e/a01355_source.html">energyProcessor.h</a>.</p>163 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00030">30</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">energyProcessor.h</a>.</p>
164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>164 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
165 <a·id="a236e592861df5725c59854f41ab88b6f"·name="a236e592861df5725c59854f41ab88b6f"></a>165 <a·id="a236e592861df5725c59854f41ab88b6f"·name="a236e592861df5725c59854f41ab88b6f"></a>
166 <h2·class="memtitle"><span·class="permalink"><a·href="#a236e592861df5725c59854f41ab88b6f">&#9670;&#160;</a></span>EnergyProcessor()·<span·class="overload">[1/2]</span></h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a236e592861df5725c59854f41ab88b6f">&#9670;&#160;</a></span>EnergyProcessor()·<span·class="overload">[1/2]</span></h2>
  
167 <div·class="memitem">167 <div·class="memitem">
168 <div·class="memproto">168 <div·class="memproto">
169 ······<table·class="memname">169 ······<table·class="memname">
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403 ··</td>403 ··</td>
404 ··<td·class="mlabels-right">404 ··<td·class="mlabels-right">
405 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>405 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
406 ··</tr>406 ··</tr>
407 </table>407 </table>
408 </div><div·class="memdoc">408 </div><div·class="memdoc">
  
409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d4e/a01355_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d8/d4e/a01355_source.html">energyProcessor.h</a>.</p>409 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00110">110</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">energyProcessor.h</a>.</p>
  
410 </div>410 </div>
411 </div>411 </div>
412 <a·id="a15b512757f59f395a60f09cbb23a0fa4"·name="a15b512757f59f395a60f09cbb23a0fa4"></a>412 <a·id="a15b512757f59f395a60f09cbb23a0fa4"·name="a15b512757f59f395a60f09cbb23a0fa4"></a>
413 <h2·class="memtitle"><span·class="permalink"><a·href="#a15b512757f59f395a60f09cbb23a0fa4">&#9670;&#160;</a></span>fragment_</h2>413 <h2·class="memtitle"><span·class="permalink"><a·href="#a15b512757f59f395a60f09cbb23a0fa4">&#9670;&#160;</a></span>fragment_</h2>
  
414 <div·class="memitem">414 <div·class="memitem">
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427 ··</td>427 ··</td>
428 ··<td·class="mlabels-right">428 ··<td·class="mlabels-right">
429 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>429 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
430 ··</tr>430 ··</tr>
431 </table>431 </table>
432 </div><div·class="memdoc">432 </div><div·class="memdoc">
  
433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d4e/a01355_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d8/d4e/a01355_source.html">energyProcessor.h</a>.</p>433 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">energyProcessor.h</a>.</p>
  
434 </div>434 </div>
435 </div>435 </div>
436 <a·id="a3ea3669e5486c28c28cc24716f7b058b"·name="a3ea3669e5486c28c28cc24716f7b058b"></a>436 <a·id="a3ea3669e5486c28c28cc24716f7b058b"·name="a3ea3669e5486c28c28cc24716f7b058b"></a>
437 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ea3669e5486c28c28cc24716f7b058b">&#9670;&#160;</a></span>valid_</h2>437 <h2·class="memtitle"><span·class="permalink"><a·href="#a3ea3669e5486c28c28cc24716f7b058b">&#9670;&#160;</a></span>valid_</h2>
  
438 <div·class="memitem">438 <div·class="memitem">
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451 ··</td>451 ··</td>
452 ··<td·class="mlabels-right">452 ··<td·class="mlabels-right">
453 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>453 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
454 ··</tr>454 ··</tr>
455 </table>455 </table>
456 </div><div·class="memdoc">456 </div><div·class="memdoc">
  
457 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d4e/a01355_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../d8/d4e/a01355_source.html">energyProcessor.h</a>.</p>457 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d9b/a01889_source.html#l00113">113</a>·of·file·<a·class="el"·href="../../d9/d9b/a01889_source.html">energyProcessor.h</a>.</p>
  
458 </div>458 </div>
459 </div>459 </div>
460 </div><!--·contents·-->460 </div><!--·contents·-->
461 <!--·start·footer·part·-->461 <!--·start·footer·part·-->
462 <hr·class="footer"/><address·class="footer"><small>462 <hr·class="footer"/><address·class="footer"><small>
463 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8463 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;77 <a·href="#pub-static-methods">Static·Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/d2d/a05775.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d2d/a05775.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ModelFactory&lt;·T·&gt;·Class·Template·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::ModelFactory&lt;·T·&gt;·Class·Template·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/QSAR/modelFactory.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d0b/a00452_source.html">BALL/QSAR/modelFactory.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-methods"·name="pub-static-methods"></a>
85 Static·Public·Member·Functions</h2></td></tr>85 Static·Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:afb62cba86c1f7fdd78d472bb9fd84d0e"·id="r_afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#afb62cba86c1f7fdd78d472bb9fd84d0e">create</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td></tr>86 <tr·class="memitem:afb62cba86c1f7fdd78d472bb9fd84d0e"·id="r_afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#afb62cba86c1f7fdd78d472bb9fd84d0e">create</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q)</td></tr>
87 <tr·class="separator:afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:afb62cba86c1f7fdd78d472bb9fd84d0e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a5734373ca041785b968e5a4b13e59137"·id="r_a5734373ca041785b968e5a4b13e59137"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#a5734373ca041785b968e5a4b13e59137">createKernel1</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td></tr>88 <tr·class="memitem:a5734373ca041785b968e5a4b13e59137"·id="r_a5734373ca041785b968e5a4b13e59137"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#a5734373ca041785b968e5a4b13e59137">createKernel1</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·int·k,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·p2)</td></tr>
89 <tr·class="separator:a5734373ca041785b968e5a4b13e59137"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a5734373ca041785b968e5a4b13e59137"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad3477fd44d7589c150991a155f087cb6"·id="r_ad3477fd44d7589c150991a155f087cb6"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#ad3477fd44d7589c150991a155f087cb6">createKernel2</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td></tr>90 <tr·class="memitem:ad3477fd44d7589c150991a155f087cb6"·id="r_ad3477fd44d7589c150991a155f087cb6"><td·class="memItemLeft"·align="right"·valign="top">static·T·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/db9/a05778.html#ad3477fd44d7589c150991a155f087cb6">createKernel2</a>·(const·<a·class="el"·href="../../d7/d6f/a05826.html">QSARData</a>·&amp;q,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s1,·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·s2)</td></tr>
91 <tr·class="separator:ad3477fd44d7589c150991a155f087cb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ad3477fd44d7589c150991a155f087cb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>94 <div·class="textblock"><div·class="compoundTemplParams">template&lt;typename·T&gt;<br·/>
95 class·BALL::QSAR::ModelFactory&lt;·T·&gt;</div><p><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·various·regression·/·classification·Models·it·was·parameterized·with.·</p>95 class·BALL::QSAR::ModelFactory&lt;·T·&gt;</div><p><a·class="el"·href="../../d4/d1b/a03282.html">Factory</a>·class.·The·factory·class·is·used·to·create·objects·of·the·various·regression·/·classification·Models·it·was·parameterized·with.·</p>
  
96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">modelFactory.h</a>.</p>96 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d0b/a00452_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d1/d0b/a00452_source.html">modelFactory.h</a>.</p>
97 </div><h2·class="groupheader">Member·Function·Documentation</h2>97 </div><h2·class="groupheader">Member·Function·Documentation</h2>
98 <a·id="afb62cba86c1f7fdd78d472bb9fd84d0e"·name="afb62cba86c1f7fdd78d472bb9fd84d0e"></a>98 <a·id="afb62cba86c1f7fdd78d472bb9fd84d0e"·name="afb62cba86c1f7fdd78d472bb9fd84d0e"></a>
99 <h2·class="memtitle"><span·class="permalink"><a·href="#afb62cba86c1f7fdd78d472bb9fd84d0e">&#9670;&#160;</a></span>create()</h2>99 <h2·class="memtitle"><span·class="permalink"><a·href="#afb62cba86c1f7fdd78d472bb9fd84d0e">&#9670;&#160;</a></span>create()</h2>
  
100 <div·class="memitem">100 <div·class="memitem">
101 <div·class="memproto">101 <div·class="memproto">
102 <div·class="memtemplate">102 <div·class="memtemplate">
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119 ··</td>119 ··</td>
120 ··<td·class="mlabels-right">120 ··<td·class="mlabels-right">
121 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>121 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
122 ··</tr>122 ··</tr>
123 </table>123 </table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">modelFactory.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d0b/a00452_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d1/d0b/a00452_source.html">modelFactory.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="a5734373ca041785b968e5a4b13e59137"·name="a5734373ca041785b968e5a4b13e59137"></a>128 <a·id="a5734373ca041785b968e5a4b13e59137"·name="a5734373ca041785b968e5a4b13e59137"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#a5734373ca041785b968e5a4b13e59137">&#9670;&#160;</a></span>createKernel1()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a5734373ca041785b968e5a4b13e59137">&#9670;&#160;</a></span>createKernel1()</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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171 ··</td>171 ··</td>
172 ··<td·class="mlabels-right">172 ··<td·class="mlabels-right">
173 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>173 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">static</span></span>··</td>
174 ··</tr>174 ··</tr>
175 </table>175 </table>
176 </div><div·class="memdoc">176 </div><div·class="memdoc">
  
177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d95/a00989_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d4/d95/a00989_source.html">modelFactory.h</a>.</p>177 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d0b/a00452_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d1/d0b/a00452_source.html">modelFactory.h</a>.</p>
  
178 </div>178 </div>
179 </div>179 </div>
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181 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3477fd44d7589c150991a155f087cb6">&#9670;&#160;</a></span>createKernel2()</h2>181 <h2·class="memtitle"><span·class="permalink"><a·href="#ad3477fd44d7589c150991a155f087cb6">&#9670;&#160;</a></span>createKernel2()</h2>
  
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217 ··</td>217 ··</td>
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8 <title>BALL:·triangulatedSurface.h·File·Reference</title>8 <title>BALL:·SASFace.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">triangulatedSurface.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">SASFace.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d3e/a01712_source.html">BALL/STRUCTURE/triangle.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/graphFace.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d2/d20/a01790_source.html">BALL/STRUCTURE/triangleEdge.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d9/d37/a01754_source.html">BALL/STRUCTURE/trianglePoint.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dd/db2/a00737_source.html">BALL/MATHS/plane3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../d6/d82/a00293_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/>
86 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;list&gt;</code><br·/>84 <code>#include·&lt;list&gt;</code><br·/>
89 <code>#include·&lt;vector&gt;</code><br·/> 
90 </div>85 </div>
91 <p><a·href="../../de/dc3/a01787_source.html">Go·to·the·source·code·of·this·file.</a></p>86 <p><a·href="../../de/dc3/a01787_source.html">Go·to·the·source·code·of·this·file.</a></p>
92 <table·class="memberdecls">87 <table·class="memberdecls">
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95 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d6f/a07322.html">BALL::TriangulatedSurface</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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99 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/df3/a07330.html">BALL::TriangulatedSphere::Face</a></td></tr>90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/d57/a07134.html">BALL::SASFace</a></td></tr>
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108 Functions</h2></td></tr>99 Functions</h2></td></tr>
109 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>100 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr>
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115 <hr·class="footer"/><address·class="footer"><small>106 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowHelpMessage·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShowHelpMessage·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/db1/a00197_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d14/a01040_source.html">BALL/VIEW/KERNEL/message.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::ShowHelpMessage:</div>85 Inheritance·diagram·for·BALL::VIEW::ShowHelpMessage:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/dc5/a07882.png"·usemap="#BALL::VIEW::ShowHelpMessage_map"·alt=""/>88 ··<img·src="../../de/dc5/a07882.png"·usemap="#BALL::VIEW::ShowHelpMessage_map"·alt=""/>
89 ··<map·id="BALL::VIEW::ShowHelpMessage_map"·name="BALL::VIEW::ShowHelpMessage_map">89 ··<map·id="BALL::VIEW::ShowHelpMessage_map"·name="BALL::VIEW::ShowHelpMessage_map">
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130 <tr·class="separator:a187509d4b6fad0173b43099218e2c7d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>130 <tr·class="separator:a187509d4b6fad0173b43099218e2c7d7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
131 </table>131 </table>
132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>132 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
133 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000015">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>133 <div·class="textblock"><dl·class="deprecated"><dt><b><a·class="el"·href="../../db/d34/a02118.html#_deprecated000015">Deprecated:</a></b></dt><dd>Help·system·has·been·removed.·This·class·will·also·be·removed·in·the·next·release.·</dd></dl>
  
134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>134 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00782">782</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>135 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
136 <a·id="a698190684969a57ca420fd371ac93d13"·name="a698190684969a57ca420fd371ac93d13"></a>136 <a·id="a698190684969a57ca420fd371ac93d13"·name="a698190684969a57ca420fd371ac93d13"></a>
137 <h2·class="memtitle"><span·class="permalink"><a·href="#a698190684969a57ca420fd371ac93d13">&#9670;&#160;</a></span>ShowHelpMessage()</h2>137 <h2·class="memtitle"><span·class="permalink"><a·href="#a698190684969a57ca420fd371ac93d13">&#9670;&#160;</a></span>ShowHelpMessage()</h2>
  
138 <div·class="memitem">138 <div·class="memitem">
139 <div·class="memproto">139 <div·class="memproto">
140 ······<table·class="memname">140 ······<table·class="memname">
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188 ··</td>188 ··</td>
189 ··<td·class="mlabels-right">189 ··<td·class="mlabels-right">
190 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>190 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
191 ··</tr>191 ··</tr>
192 </table>192 </table>
193 </div><div·class="memdoc">193 </div><div·class="memdoc">
  
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00794">794</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00794">794</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
195 </div>195 </div>
196 </div>196 </div>
197 <a·id="aa41e3fb3a434289e3c44f6a61e92e4b8"·name="aa41e3fb3a434289e3c44f6a61e92e4b8"></a>197 <a·id="aa41e3fb3a434289e3c44f6a61e92e4b8"·name="aa41e3fb3a434289e3c44f6a61e92e4b8"></a>
198 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41e3fb3a434289e3c44f6a61e92e4b8">&#9670;&#160;</a></span>getProject()</h2>198 <h2·class="memtitle"><span·class="permalink"><a·href="#aa41e3fb3a434289e3c44f6a61e92e4b8">&#9670;&#160;</a></span>getProject()</h2>
  
199 <div·class="memitem">199 <div·class="memitem">
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215 ··</td>215 ··</td>
216 ··<td·class="mlabels-right">216 ··<td·class="mlabels-right">
217 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>217 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
218 ··</tr>218 ··</tr>
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220 </div><div·class="memdoc">220 </div><div·class="memdoc">
  
221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/db1/a00197_source.html#l00792">792</a>·of·file·<a·class="el"·href="../../de/db1/a00197_source.html">message.h</a>.</p>221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d14/a01040_source.html#l00792">792</a>·of·file·<a·class="el"·href="../../db/d14/a01040_source.html">message.h</a>.</p>
  
222 </div>222 </div>
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85 <code>#include·&lt;<a·class="el"·href="../../d9/dd4/a00776_source.html">BALL/MATHS/sphere3.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;vector&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../de/dca/a01907_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/dca/a01907_source.html">Go·to·the·source·code·of·this·file.</a></p>
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90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d55/a07266.html">BALL::SolventAccessibleSurface</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dc0/a06506.html">BALL::Pair6_12RDFIntegrator</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d44/a06510.html">BALL::Pair6_12RDFIntegrator::Option</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d63/a06514.html">BALL::Pair6_12RDFIntegrator::Default</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table><table·class="memberdecls"> 
100 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="func-members"·name="func-members"></a> 
101 Functions</h2></td></tr> 
102 <tr><td·colspan="2"><div·class="groupHeader">Storers</div></td></tr> 
103 <tr·class="memitem:gac44f1d03fa68f0688ee49d1750be83d0"·id="r_gac44f1d03fa68f0688ee49d1750be83d0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#afc068a3fa668cb3f5a7f178772cc75bf">BALL_EXPORT</a>·std::ostream·&amp;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gac44f1d03fa68f0688ee49d1750be83d0">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../db/d55/a07266.html">SolventAccessibleSurface</a>·&amp;sas)</td></tr> 
104 <tr·class="separator:gac44f1d03fa68f0688ee49d1750be83d0"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>100 </table>
106 </div><!--·contents·-->101 </div><!--·contents·-->
107 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8104 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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111 </body>106 </body>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d1/d05/a08479.html">List·of·all·members</a>··</div>79 <a·href="../../d1/d05/a08479.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropDeleteWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PropDeleteWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::VIEW::PropDeleteWidget:</div>85 Inheritance·diagram·for·BALL::VIEW::PropDeleteWidget:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/dcb/a08482.png"·usemap="#BALL::VIEW::PropDeleteWidget_map"·alt=""/>88 ··<img·src="../../de/dcb/a08482.png"·usemap="#BALL::VIEW::PropDeleteWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::PropDeleteWidget_map"·name="BALL::VIEW::PropDeleteWidget_map">89 ··<map·id="BALL::VIEW::PropDeleteWidget_map"·name="BALL::VIEW::PropDeleteWidget_map">
90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,187,80"/>90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,187,80"/>
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139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>139 <tr·class="separator:a46403e234f863163cb9af4c8641d036b·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>140 <tr·class="memitem:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"·id="r_a7966a2071c642020d77e2fa614507787"><td·class="memItemLeft"·align="right"·valign="top">Ui::PropEditorWidget&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d8b/a08454.html#a7966a2071c642020d77e2fa614507787">ui_</a></td></tr>
141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>141 <tr·class="separator:a7966a2071c642020d77e2fa614507787·inherit·pro_attribs_a08454"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock"><p>A·simple·Widget·for·arbitrary·properties·that·just·allows·deleting·them.·</p>144 <div·class="textblock"><p>A·simple·Widget·for·arbitrary·properties·that·just·allows·deleting·them.·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00223">223</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00223">223</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="ade5fc3a0a0a11e808cf051bfb4702b93"·name="ade5fc3a0a0a11e808cf051bfb4702b93"></a>147 <a·id="ade5fc3a0a0a11e808cf051bfb4702b93"·name="ade5fc3a0a0a11e808cf051bfb4702b93"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#ade5fc3a0a0a11e808cf051bfb4702b93">&#9670;&#160;</a></span>PropDeleteWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#ade5fc3a0a0a11e808cf051bfb4702b93">&#9670;&#160;</a></span>PropDeleteWidget()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 <table·class="mlabels">151 <table·class="mlabels">
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175 ··</td>175 ··</td>
176 ··<td·class="mlabels-right">176 ··<td·class="mlabels-right">
177 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>177 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
178 ··</tr>178 ··</tr>
179 </table>179 </table>
180 </div><div·class="memdoc">180 </div><div·class="memdoc">
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00226">226</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <h2·class="groupheader">Member·Function·Documentation</h2>184 <h2·class="groupheader">Member·Function·Documentation</h2>
185 <a·id="ad9456397cd093f60f8cbaee2767e61ab"·name="ad9456397cd093f60f8cbaee2767e61ab"></a>185 <a·id="ad9456397cd093f60f8cbaee2767e61ab"·name="ad9456397cd093f60f8cbaee2767e61ab"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9456397cd093f60f8cbaee2767e61ab">&#9670;&#160;</a></span>apply_()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#ad9456397cd093f60f8cbaee2767e61ab">&#9670;&#160;</a></span>apply_()</h2>
  
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207 ··</tr>207 ··</tr>
208 </table>208 </table>
209 </div><div·class="memdoc">209 </div><div·class="memdoc">
210 <p>This·function·must·be·reimplemented·by·subclasses.·It·writes·the·value·of·the·widget·to·man·</p>210 <p>This·function·must·be·reimplemented·by·subclasses.·It·writes·the·value·of·the·widget·to·man·</p>
  
211 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a9f3341154aeabadfc27e24410d0164d7">BALL::VIEW::PropEditorWidget</a>.</p>211 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a9f3341154aeabadfc27e24410d0164d7">BALL::VIEW::PropEditorWidget</a>.</p>
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00237">237</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00237">237</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
215 <a·id="ab7a77d2fa1544855c350c21208a4437f"·name="ab7a77d2fa1544855c350c21208a4437f"></a>215 <a·id="ab7a77d2fa1544855c350c21208a4437f"·name="ab7a77d2fa1544855c350c21208a4437f"></a>
216 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a77d2fa1544855c350c21208a4437f">&#9670;&#160;</a></span>clone()</h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#ab7a77d2fa1544855c350c21208a4437f">&#9670;&#160;</a></span>clone()</h2>
  
217 <div·class="memitem">217 <div·class="memitem">
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248 ··</tr>248 ··</tr>
249 </table>249 </table>
250 </div><div·class="memdoc">250 </div><div·class="memdoc">
251 <p>Create·a·copy·of·the·widget·with·a·different·name,·but·with·the·same·property·type.·This·method·must·be·reimplemented·by·subclasses·</p>251 <p>Create·a·copy·of·the·widget·with·a·different·name,·but·with·the·same·property·type.·This·method·must·be·reimplemented·by·subclasses·</p>
  
252 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a0a44d6cd148fad4a14e72ea0150ed722">BALL::VIEW::PropEditorWidget</a>.</p>252 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a0a44d6cd148fad4a14e72ea0150ed722">BALL::VIEW::PropEditorWidget</a>.</p>
  
253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>253 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00232">232</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
254 </div>254 </div>
255 </div>255 </div>
256 <a·id="aa10c1723af6f31bceb5c70fed849f315"·name="aa10c1723af6f31bceb5c70fed849f315"></a>256 <a·id="aa10c1723af6f31bceb5c70fed849f315"·name="aa10c1723af6f31bceb5c70fed849f315"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#aa10c1723af6f31bceb5c70fed849f315">&#9670;&#160;</a></span>reset_()</h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#aa10c1723af6f31bceb5c70fed849f315">&#9670;&#160;</a></span>reset_()</h2>
  
258 <div·class="memitem">258 <div·class="memitem">
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279 ··</tr>279 ··</tr>
280 </table>280 </table>
281 </div><div·class="memdoc">281 </div><div·class="memdoc">
282 <p>This·function·must·be·reimplemented·by·subclasses.·It·rereads·the·widgets·values·from·prop·</p>282 <p>This·function·must·be·reimplemented·by·subclasses.·It·rereads·the·widgets·values·from·prop·</p>
  
283 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a05faba8e0949e0cab7486bfc96bed00d">BALL::VIEW::PropEditorWidget</a>.</p>283 <p>Implements·<a·class="el"·href="../../d1/d8b/a08454.html#a05faba8e0949e0cab7486bfc96bed00d">BALL::VIEW::PropEditorWidget</a>.</p>
  
284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00238">238</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>284 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00238">238</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
  
285 </div>285 </div>
286 </div>286 </div>
287 </div><!--·contents·-->287 </div><!--·contents·-->
288 <!--·start·footer·part·-->288 <!--·start·footer·part·-->
289 <hr·class="footer"/><address·class="footer"><small>289 <hr·class="footer"/><address·class="footer"><small>
290 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8290 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dc/d4a/a05587.html">List·of·all·members</a>··</div>78 <a·href="../../dc/d4a/a05587.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PyServer·Class·Reference<span·class="mlabels"><span·class="mlabel">final</span></span></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PyServer·Class·Reference<span·class="mlabels"><span·class="mlabel">final</span></span></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/df7/a01457_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d4e/a00329_source.html">BALL/PYTHON/pyServer.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
85 Public·Member·Functions</h2></td></tr>85 Public·Member·Functions</h2></td></tr>
86 <tr·class="memitem:aba95b2a8a81e74e951ba33b55b2c1f60"·id="r_aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#aba95b2a8a81e74e951ba33b55b2c1f60">PyServer</a>·()</td></tr>86 <tr·class="memitem:aba95b2a8a81e74e951ba33b55b2c1f60"·id="r_aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#aba95b2a8a81e74e951ba33b55b2c1f60">PyServer</a>·()</td></tr>
87 <tr·class="separator:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:aba95b2a8a81e74e951ba33b55b2c1f60"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:adce830dbd525b61188682a91c59b85d3"·id="r_adce830dbd525b61188682a91c59b85d3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#adce830dbd525b61188682a91c59b85d3">~PyServer</a>·()=default</td></tr>88 <tr·class="memitem:adce830dbd525b61188682a91c59b85d3"·id="r_adce830dbd525b61188682a91c59b85d3"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#adce830dbd525b61188682a91c59b85d3">~PyServer</a>·()=default</td></tr>
89 <tr·class="separator:adce830dbd525b61188682a91c59b85d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:adce830dbd525b61188682a91c59b85d3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a1c9ed1d058ddd57a0af3b892777288ee"·id="r_a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#a1c9ed1d058ddd57a0af3b892777288ee">processRequest</a>·()</td></tr>90 <tr·class="memitem:a1c9ed1d058ddd57a0af3b892777288ee"·id="r_a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd0/a05590.html#a1c9ed1d058ddd57a0af3b892777288ee">processRequest</a>·()</td></tr>
91 <tr·class="separator:a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a1c9ed1d058ddd57a0af3b892777288ee"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/df7/a01457_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../da/df7/a01457_source.html">pyServer.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d4e/a00329_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/d4e/a00329_source.html">pyServer.h</a>.</p>
96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>96 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
97 <a·id="aba95b2a8a81e74e951ba33b55b2c1f60"·name="aba95b2a8a81e74e951ba33b55b2c1f60"></a>97 <a·id="aba95b2a8a81e74e951ba33b55b2c1f60"·name="aba95b2a8a81e74e951ba33b55b2c1f60"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#aba95b2a8a81e74e951ba33b55b2c1f60">&#9670;&#160;</a></span>PyServer()</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#aba95b2a8a81e74e951ba33b55b2c1f60">&#9670;&#160;</a></span>PyServer()</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d9/d88/a04175.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d88/a04175.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingDatabaseSegment·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordDBREF::EndingDatabaseSegment·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a303669aecd719b32aac0024737c37879"·id="r_a303669aecd719b32aac0024737c37879"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a303669aecd719b32aac0024737c37879">number</a></td></tr>86 <tr·class="memitem:a303669aecd719b32aac0024737c37879"·id="r_a303669aecd719b32aac0024737c37879"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a303669aecd719b32aac0024737c37879">number</a></td></tr>
87 <tr·class="separator:a303669aecd719b32aac0024737c37879"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a303669aecd719b32aac0024737c37879"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a4ddcb2f809734e2518d8fd0859d80cdc"·id="r_a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a4ddcb2f809734e2518d8fd0859d80cdc">insertion_code</a></td></tr>88 <tr·class="memitem:a4ddcb2f809734e2518d8fd0859d80cdc"·id="r_a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/dd1/a04178.html#a4ddcb2f809734e2518d8fd0859d80cdc">insertion_code</a></td></tr>
89 <tr·class="separator:a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a4ddcb2f809734e2518d8fd0859d80cdc"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00612">612</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00612">612</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a4ddcb2f809734e2518d8fd0859d80cdc"·name="a4ddcb2f809734e2518d8fd0859d80cdc"></a>95 <a·id="a4ddcb2f809734e2518d8fd0859d80cdc"·name="a4ddcb2f809734e2518d8fd0859d80cdc"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ddcb2f809734e2518d8fd0859d80cdc">&#9670;&#160;</a></span>insertion_code</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a4ddcb2f809734e2518d8fd0859d80cdc">&#9670;&#160;</a></span>insertion_code</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::insertion_code</td>101 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#adbbd7264b79f49a28b6a256d54a803ba">AChar</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::insertion_code</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00615">615</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="a303669aecd719b32aac0024737c37879"·name="a303669aecd719b32aac0024737c37879"></a>108 <a·id="a303669aecd719b32aac0024737c37879"·name="a303669aecd719b32aac0024737c37879"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a303669aecd719b32aac0024737c37879">&#9670;&#160;</a></span>number</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a303669aecd719b32aac0024737c37879">&#9670;&#160;</a></span>number</h2>
  
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119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::number</td>119 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>·BALL::PDB::RecordDBREF::EndingDatabaseSegment::number</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00614">614</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dd/de2/a07615.html">List·of·all·members</a>··</div>77 <a·href="../../dd/de2/a07615.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricFitDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::VIEW::GeometricFitDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d3/def/a00446_source.html">BALL/VIEW/DIALOGS/geometricFitDialog.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d1/d34/a01211_source.html">BALL/VIEW/DIALOGS/geometricFitDialog.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::VIEW::GeometricFitDialog:</div>83 Inheritance·diagram·for·BALL::VIEW::GeometricFitDialog:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/dd3/a07618.png"·usemap="#BALL::VIEW::GeometricFitDialog_map"·alt=""/>86 ··<img·src="../../de/dd3/a07618.png"·usemap="#BALL::VIEW::GeometricFitDialog_map"·alt=""/>
87 ··<map·id="BALL::VIEW::GeometricFitDialog_map"·name="BALL::VIEW::GeometricFitDialog_map">87 ··<map·id="BALL::VIEW::GeometricFitDialog_map"·name="BALL::VIEW::GeometricFitDialog_map">
88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,193,24"/>88 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,193,24"/>
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180 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>180 <tr·class="inherit_header·pro_methods_a07926"><td·colspan="2"·onclick="javascript:toggleInherit('pro_methods_a07926')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Member·Functions·inherited·from·<a·class="el"·href="../../dc/d3d/a07926.html">BALL::VIEW::PreferencesEntry</a></td></tr>
181 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>181 <tr·class="memitem:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"·id="r_a906211c0b27316d72b9c06af8ca75710"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a906211c0b27316d72b9c06af8ca75710">registerWidgets_</a>·()</td></tr>
182 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>182 <tr·class="separator:a906211c0b27316d72b9c06af8ca75710·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
183 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>183 <tr·class="memitem:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"·id="r_aeedb34ee0b440abdc5a3c8a629ed699f"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aeedb34ee0b440abdc5a3c8a629ed699f">registerObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
184 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>184 <tr·class="separator:aeedb34ee0b440abdc5a3c8a629ed699f·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
185 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>185 <tr·class="memitem:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"·id="r_ac9c678ff646770c036b509640d536c0c"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ac9c678ff646770c036b509640d536c0c">unregisterObject_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·*widget)</td></tr>
186 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>186 <tr·class="separator:ac9c678ff646770c036b509640d536c0c·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
187 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d6/d95/a20350.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>187 <tr·class="memitem:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"·id="r_af7a60aa6b9ac9f3490c87adc088ee277"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d7e/a20347.html#a46d5286ad1a5a1b32e6e0a4642fe8d16">BALL_DEPRECATED</a>·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#af7a60aa6b9ac9f3490c87adc088ee277">registerWidgetForHelpSystem_</a>·(const·<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;)</td></tr>
188 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>188 <tr·class="separator:af7a60aa6b9ac9f3490c87adc088ee277·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
189 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>189 <tr·class="memitem:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"·id="r_aed70a3917bdd7f05a7152e013dec6783"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#aed70a3917bdd7f05a7152e013dec6783">restoreValues_</a>·(<a·class="el"·href="../../d5/d59/a09258.html">bool</a>·all,·const·<a·class="el"·href="../../dc/d3d/a07926.html#a5c5e2772c6ddd4c9a09b2437f97dd874">ValueMap</a>·&amp;map)</td></tr>
190 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>190 <tr·class="separator:aed70a3917bdd7f05a7152e013dec6783·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
191 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>191 <tr·class="memitem:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"·id="r_a99acbe1bb1e641183c951a7451b26391"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a99acbe1bb1e641183c951a7451b26391">insertStackEntry_</a>·(<a·class="el"·href="../../d8/da5/a20078.html">QWidget</a>·*,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;name)</td></tr>
192 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>192 <tr·class="separator:a99acbe1bb1e641183c951a7451b26391·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
193 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>193 <tr·class="memitem:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"·id="r_a0dc753e4d02076d57a5ad2e24f2503f2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#a0dc753e4d02076d57a5ad2e24f2503f2">isSupported_</a>·(<a·class="el"·href="../../dc/d45/a20003.html">QObject</a>·&amp;widget)</td></tr>
194 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>194 <tr·class="separator:a0dc753e4d02076d57a5ad2e24f2503f2·inherit·pro_methods_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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210 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>210 <tr·class="memitem:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"·id="r_ab7942bdf4c88f10d41eec3aa452bbed5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dc/d3d/a07926.html#a257b5f0e49b1f24294c315d4d7363693">StackPages</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d3d/a07926.html#ab7942bdf4c88f10d41eec3aa452bbed5">stack_pages_</a></td></tr>
211 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>211 <tr·class="separator:ab7942bdf4c88f10d41eec3aa452bbed5·inherit·pro_attribs_a07926"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
212 </table>212 </table>
213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>213 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
214 <div·class="textblock"><p>Dialog·for·options·of·the·docking·algorithm·<a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>.</p>214 <div·class="textblock"><p>Dialog·for·options·of·the·docking·algorithm·<a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>.</p>
215 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>·</dd></dl>215 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d1/d9c/a03790.html">GeometricFit</a>·</dd></dl>
  
216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/def/a00446_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/def/a00446_source.html">geometricFitDialog.h</a>.</p>216 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d34/a01211_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d1/d34/a01211_source.html">geometricFitDialog.h</a>.</p>
217 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>217 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
218 <a·id="a0d5d5e96308925a48f7830d4fddb9e8e"·name="a0d5d5e96308925a48f7830d4fddb9e8e"></a>218 <a·id="a0d5d5e96308925a48f7830d4fddb9e8e"·name="a0d5d5e96308925a48f7830d4fddb9e8e"></a>
219 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d5d5e96308925a48f7830d4fddb9e8e">&#9670;&#160;</a></span>GeometricFitDialog()</h2>219 <h2·class="memtitle"><span·class="permalink"><a·href="#a0d5d5e96308925a48f7830d4fddb9e8e">&#9670;&#160;</a></span>GeometricFitDialog()</h2>
  
220 <div·class="memitem">220 <div·class="memitem">
221 <div·class="memproto">221 <div·class="memproto">
222 ······<table·class="memname">222 ······<table·class="memname">
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2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">2 <html·xmlns="http://www.w3.org/1999/xhtml"·lang="en-US">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·testFramework.h·File·Reference</title>8 <title>BALL:·partialChargeDescriptors.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">testFramework.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">partialChargeDescriptors.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d23/a00326_source.html">BALL/VIEW/WIDGETS/dockWidget.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/d93/a00341_source.html">BALL/QSAR/partialChargeBase.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d4/dec/a01952_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;QtCore/QThread&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../de/dd7/a00362_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../de/dd7/a00362_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
 87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/db7/a05798.html">BALL::TotalPositivePartialCharge</a></td></tr>
 88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/da8/a08554.html">BALL::VIEW::TestFramework</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd9/a05802.html">BALL::TotalNegativePartialCharge</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d3e/a05806.html">BALL::RelPositivePartialCharge</a></td></tr>
 92 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 93 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d5c/a05810.html">BALL::RelNegativePartialCharge</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">95 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>97 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 </table>100 </table>
100 </div><!--·contents·-->101 </div><!--·contents·-->
101 <!--·start·footer·part·-->102 <!--·start·footer·part·-->
102 <hr·class="footer"/><address·class="footer"><small>103 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../df/d0c/a03055.html">List·of·all·members</a>··</div>79 <a·href="../../df/d0c/a03055.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Exception::SizeUnderflow·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::SizeUnderflow·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::SizeUnderflow:</div>85 Inheritance·diagram·for·BALL::Exception::SizeUnderflow:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/dd9/a03058.png"·usemap="#BALL::Exception::SizeUnderflow_map"·alt=""/>88 ··<img·src="../../de/dd9/a03058.png"·usemap="#BALL::Exception::SizeUnderflow_map"·alt=""/>
89 ··<map·id="BALL::Exception::SizeUnderflow_map"·name="BALL::Exception::SizeUnderflow_map">89 ··<map·id="BALL::Exception::SizeUnderflow_map"·name="BALL::Exception::SizeUnderflow_map">
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79 ··<div·class="headertitle"><div·class="title">BALL::CharmmTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::CharmmTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d1e/a02171.html">CHARMM·Force·Field.</a></div></div></div>
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81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d8/daf/a01550_source.html">BALL/MOLMEC/CHARMM/charmmTorsion.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d8c/a00035_source.html">BALL/MOLMEC/CHARMM/charmmTorsion.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::CharmmTorsion:</div>84 Inheritance·diagram·for·BALL::CharmmTorsion:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
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234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p>CHARMM·torsion·component·</p>236 <div·class="textblock"><p>CHARMM·torsion·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/daf/a01550_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d8/daf/a01550_source.html">charmmTorsion.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d8c/a00035_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d8c/a00035_source.html">charmmTorsion.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c87a3f409bf7b467c2853acf63d5429e.html">INPUT</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
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77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">inputPlugin.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">plugin.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;QtCore/QtPlugin&gt;</code><br·/> 
82 </div> 
83 <p><a·href="../../de/ddd/a00653_source.html">Go·to·the·source·code·of·this·file.</a></p> 
84 <table·class="memberdecls"> 
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
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94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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8 <title>BALL:·quadruple.h·File·Reference</title>8 <title>BALL:·radiusRuleProcessor.h·File·Reference</title>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
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72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">quadruple.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">radiusRuleProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>
82 </div>82 </div>
83 <p><a·href="../../de/de1/a00065_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../de/de1/a00065_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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79 <a·href="../../d7/d49/a03187.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d49/a03187.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::LogStreamBuf::LoglineStruct·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::LogStreamBuf::LoglineStruct·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d5d/a01202_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../df/d6f/a00623_source.html">BALL/COMMON/logStream.h</a>&gt;</code></p>
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85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
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97 <tr·class="memitem:af800ad0cfa2ef86469b72dc795033095"·id="r_af800ad0cfa2ef86469b72dc795033095"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de3/a03190.html#af800ad0cfa2ef86469b72dc795033095">time</a></td></tr>97 <tr·class="memitem:af800ad0cfa2ef86469b72dc795033095"·id="r_af800ad0cfa2ef86469b72dc795033095"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de3/a03190.html#af800ad0cfa2ef86469b72dc795033095">time</a></td></tr>
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99 </table>99 </table>
100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
101 <div·class="textblock">101 <div·class="textblock">
102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>102 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00176">176</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>103 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
104 <a·id="ac13f3cf03925714be14cf4f577a0221b"·name="ac13f3cf03925714be14cf4f577a0221b"></a>104 <a·id="ac13f3cf03925714be14cf4f577a0221b"·name="ac13f3cf03925714be14cf4f577a0221b"></a>
105 <h2·class="memtitle"><span·class="permalink"><a·href="#ac13f3cf03925714be14cf4f577a0221b">&#9670;&#160;</a></span>LoglineStruct()</h2>105 <h2·class="memtitle"><span·class="permalink"><a·href="#ac13f3cf03925714be14cf4f577a0221b">&#9670;&#160;</a></span>LoglineStruct()</h2>
  
106 <div·class="memitem">106 <div·class="memitem">
107 <div·class="memproto">107 <div·class="memproto">
108 <table·class="mlabels">108 <table·class="mlabels">
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120 ··</td>120 ··</td>
121 ··<td·class="mlabels-right">121 ··<td·class="mlabels-right">
122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>122 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
123 ··</tr>123 ··</tr>
124 </table>124 </table>
125 </div><div·class="memdoc">125 </div><div·class="memdoc">
  
126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>126 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00182">182</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
127 </div>127 </div>
128 </div>128 </div>
129 <h2·class="groupheader">Member·Data·Documentation</h2>129 <h2·class="groupheader">Member·Data·Documentation</h2>
130 <a·id="af697c2e3d52e4d35ddec612e436aa1cf"·name="af697c2e3d52e4d35ddec612e436aa1cf"></a>130 <a·id="af697c2e3d52e4d35ddec612e436aa1cf"·name="af697c2e3d52e4d35ddec612e436aa1cf"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#af697c2e3d52e4d35ddec612e436aa1cf">&#9670;&#160;</a></span>level</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#af697c2e3d52e4d35ddec612e436aa1cf">&#9670;&#160;</a></span>level</h2>
  
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137 ······<table·class="memname">137 ······<table·class="memname">
138 ········<tr>138 ········<tr>
139 ··········<td·class="memname">int·BALL::LogStreamBuf::LoglineStruct::level</td>139 ··········<td·class="memname">int·BALL::LogStreamBuf::LoglineStruct::level</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00178">178</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <a·id="a7edba6e70e8527c46ab2c26bcbd4a988"·name="a7edba6e70e8527c46ab2c26bcbd4a988"></a>146 <a·id="a7edba6e70e8527c46ab2c26bcbd4a988"·name="a7edba6e70e8527c46ab2c26bcbd4a988"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a7edba6e70e8527c46ab2c26bcbd4a988">&#9670;&#160;</a></span>text</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a7edba6e70e8527c46ab2c26bcbd4a988">&#9670;&#160;</a></span>text</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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153 ······<table·class="memname">153 ······<table·class="memname">
154 ········<tr>154 ········<tr>
155 ··········<td·class="memname">string·BALL::LogStreamBuf::LoglineStruct::text</td>155 ··········<td·class="memname">string·BALL::LogStreamBuf::LoglineStruct::text</td>
156 ········</tr>156 ········</tr>
157 ······</table>157 ······</table>
158 </div><div·class="memdoc">158 </div><div·class="memdoc">
  
159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>159 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
160 </div>160 </div>
161 </div>161 </div>
162 <a·id="af800ad0cfa2ef86469b72dc795033095"·name="af800ad0cfa2ef86469b72dc795033095"></a>162 <a·id="af800ad0cfa2ef86469b72dc795033095"·name="af800ad0cfa2ef86469b72dc795033095"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#af800ad0cfa2ef86469b72dc795033095">&#9670;&#160;</a></span>time</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#af800ad0cfa2ef86469b72dc795033095">&#9670;&#160;</a></span>time</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
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169 ······<table·class="memname">169 ······<table·class="memname">
170 ········<tr>170 ········<tr>
171 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·BALL::LogStreamBuf::LoglineStruct::time</td>171 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a33313e0068bbaa94fae16f21ec2e6b25">Time</a>·BALL::LogStreamBuf::LoglineStruct::time</td>
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173 ······</table>173 ······</table>
174 </div><div·class="memdoc">174 </div><div·class="memdoc">
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d5d/a01202_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../d4/d5d/a01202_source.html">logStream.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d6f/a00623_source.html#l00180">180</a>·of·file·<a·class="el"·href="../../df/d6f/a00623_source.html">logStream.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 </div><!--·contents·-->178 </div><!--·contents·-->
179 <!--·start·footer·part·-->179 <!--·start·footer·part·-->
180 <hr·class="footer"/><address·class="footer"><small>180 <hr·class="footer"/><address·class="footer"><small>
181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8181 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/da1/a06103.html">List·of·all·members</a>··</div>77 <a·href="../../d2/da1/a06103.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVMModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SVMModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../df/de9/a00923_source.html">BALL/QSAR/svmModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d9/dd1/a00398_source.html">BALL/QSAR/svmModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::SVMModel:</div>83 Inheritance·diagram·for·BALL::QSAR::SVMModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/de4/a06106.png"·usemap="#BALL::QSAR::SVMModel_map"·alt=""/>86 ··<img·src="../../de/de4/a06106.png"·usemap="#BALL::QSAR::SVMModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::SVMModel_map"·name="BALL::QSAR::SVMModel_map">87 ··<map·id="BALL::QSAR::SVMModel_map"·name="BALL::QSAR::SVMModel_map">
88 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>88 <area·href="../../d4/dff/a05618.html"·alt="BALL::QSAR::ClassificationModel"·shape="rect"·coords="0,56,200,80"/>
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241 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>241 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
242 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>242 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
243 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>243 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
244 </table>244 </table>
245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>245 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
246 <div·class="textblock"><p>class·for·support·vector·classification·</p>246 <div·class="textblock"><p>class·for·support·vector·classification·</p>
  
247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/de9/a00923_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../df/de9/a00923_source.html">svmModel.h</a>.</p>247 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dd1/a00398_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/dd1/a00398_source.html">svmModel.h</a>.</p>
248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>248 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
249 <a·id="a804985d0f97f426772b37f8c1d30fec5"·name="a804985d0f97f426772b37f8c1d30fec5"></a>249 <a·id="a804985d0f97f426772b37f8c1d30fec5"·name="a804985d0f97f426772b37f8c1d30fec5"></a>
250 <h2·class="memtitle"><span·class="permalink"><a·href="#a804985d0f97f426772b37f8c1d30fec5">&#9670;&#160;</a></span>SVMModel()</h2>250 <h2·class="memtitle"><span·class="permalink"><a·href="#a804985d0f97f426772b37f8c1d30fec5">&#9670;&#160;</a></span>SVMModel()</h2>
  
251 <div·class="memitem">251 <div·class="memitem">
252 <div·class="memproto">252 <div·class="memproto">
253 ······<table·class="memname">253 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d2/d28/a07755.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d28/a07755.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FakeDriver·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::FakeDriver·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/df2/a00656_source.html">BALL/VIEW/INPUT/fakeDriver.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d5d/a01325_source.html">BALL/VIEW/INPUT/fakeDriver.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::FakeDriver:</div>84 Inheritance·diagram·for·BALL::VIEW::FakeDriver:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/dec/a07758.png"·usemap="#BALL::VIEW::FakeDriver_map"·alt=""/>87 ··<img·src="../../de/dec/a07758.png"·usemap="#BALL::VIEW::FakeDriver_map"·alt=""/>
88 ··<map·id="BALL::VIEW::FakeDriver_map"·name="BALL::VIEW::FakeDriver_map">88 ··<map·id="BALL::VIEW::FakeDriver_map"·name="BALL::VIEW::FakeDriver_map">
89 <area·href="../../dd/d73/a07766.html"·alt="BALL::VIEW::InputDeviceDriver"·shape="rect"·coords="0,0,189,24"/>89 <area·href="../../dd/d73/a07766.html"·alt="BALL::VIEW::InputDeviceDriver"·shape="rect"·coords="0,0,189,24"/>
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124 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"·id="r_af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>124 <tr·class="memitem:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"·id="r_af133896f2a3c8e9e6755ef05fbb158e6"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#af133896f2a3c8e9e6755ef05fbb158e6">emitPositionChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
125 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>125 <tr·class="separator:af133896f2a3c8e9e6755ef05fbb158e6·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
126 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"·id="r_abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>126 <tr·class="memitem:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"·id="r_abcea77f61e39d1f3003618e35822bc45"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d73/a07766.html#abcea77f61e39d1f3003618e35822bc45">emitHeadChange</a>·(<a·class="el"·href="../../de/d5d/a09194.html">double</a>·x,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·y,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·z,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q1,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q2,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q3,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>·q4)</td></tr>
127 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>127 <tr·class="separator:abcea77f61e39d1f3003618e35822bc45·inherit·pro_methods_a07766"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
128 </table>128 </table>
129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>129 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
130 <div·class="textblock">130 <div·class="textblock">
131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00007">7</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">fakeDriver.h</a>.</p>131 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00007">7</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>132 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
133 <a·id="a7b532df7f89c5018724e702ce9738745"·name="a7b532df7f89c5018724e702ce9738745"></a>133 <a·id="a7b532df7f89c5018724e702ce9738745"·name="a7b532df7f89c5018724e702ce9738745"></a>
134 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b532df7f89c5018724e702ce9738745">&#9670;&#160;</a></span>FakeDriver()</h2>134 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b532df7f89c5018724e702ce9738745">&#9670;&#160;</a></span>FakeDriver()</h2>
  
135 <div·class="memitem">135 <div·class="memitem">
136 <div·class="memproto">136 <div·class="memproto">
137 <table·class="mlabels">137 <table·class="mlabels">
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150 ··</td>150 ··</td>
151 ··<td·class="mlabels-right">151 ··<td·class="mlabels-right">
152 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>152 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
153 ··</tr>153 ··</tr>
154 </table>154 </table>
155 </div><div·class="memdoc">155 </div><div·class="memdoc">
  
156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">fakeDriver.h</a>.</p>156 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00010">10</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
157 </div>157 </div>
158 </div>158 </div>
159 <h2·class="groupheader">Member·Function·Documentation</h2>159 <h2·class="groupheader">Member·Function·Documentation</h2>
160 <a·id="adbd7d623aa1f76ad863f47e6b7f0259e"·name="adbd7d623aa1f76ad863f47e6b7f0259e"></a>160 <a·id="adbd7d623aa1f76ad863f47e6b7f0259e"·name="adbd7d623aa1f76ad863f47e6b7f0259e"></a>
161 <h2·class="memtitle"><span·class="permalink"><a·href="#adbd7d623aa1f76ad863f47e6b7f0259e">&#9670;&#160;</a></span>setEnabled()</h2>161 <h2·class="memtitle"><span·class="permalink"><a·href="#adbd7d623aa1f76ad863f47e6b7f0259e">&#9670;&#160;</a></span>setEnabled()</h2>
  
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179 ··</td>179 ··</td>
180 ··<td·class="mlabels-right">180 ··<td·class="mlabels-right">
181 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>181 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
182 ··</tr>182 ··</tr>
183 </table>183 </table>
184 </div><div·class="memdoc">184 </div><div·class="memdoc">
  
185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">fakeDriver.h</a>.</p>185 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00015">15</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
186 </div>186 </div>
187 </div>187 </div>
188 <a·id="a39034ccd89da9c0c45aab762b48baba4"·name="a39034ccd89da9c0c45aab762b48baba4"></a>188 <a·id="a39034ccd89da9c0c45aab762b48baba4"·name="a39034ccd89da9c0c45aab762b48baba4"></a>
189 <h2·class="memtitle"><span·class="permalink"><a·href="#a39034ccd89da9c0c45aab762b48baba4">&#9670;&#160;</a></span>setUp()</h2>189 <h2·class="memtitle"><span·class="permalink"><a·href="#a39034ccd89da9c0c45aab762b48baba4">&#9670;&#160;</a></span>setUp()</h2>
  
190 <div·class="memitem">190 <div·class="memitem">
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208 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>208 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
209 ··</tr>209 ··</tr>
210 </table>210 </table>
211 </div><div·class="memdoc">211 </div><div·class="memdoc">
  
212 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a86e9d8d3d9dc12e7f9a7da9f65c84cac">BALL::VIEW::InputDeviceDriver</a>.</p>212 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a86e9d8d3d9dc12e7f9a7da9f65c84cac">BALL::VIEW::InputDeviceDriver</a>.</p>
  
213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">fakeDriver.h</a>.</p>213 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
214 </div>214 </div>
215 </div>215 </div>
216 <a·id="a9a81f62283430bb48ed4e4c3737931d7"·name="a9a81f62283430bb48ed4e4c3737931d7"></a>216 <a·id="a9a81f62283430bb48ed4e4c3737931d7"·name="a9a81f62283430bb48ed4e4c3737931d7"></a>
217 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a81f62283430bb48ed4e4c3737931d7">&#9670;&#160;</a></span>tearDown()</h2>217 <h2·class="memtitle"><span·class="permalink"><a·href="#a9a81f62283430bb48ed4e4c3737931d7">&#9670;&#160;</a></span>tearDown()</h2>
  
218 <div·class="memitem">218 <div·class="memitem">
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237 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>237 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
238 ··</tr>238 ··</tr>
239 </table>239 </table>
240 </div><div·class="memdoc">240 </div><div·class="memdoc">
  
241 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a04a8cedc755bb49d2bb28ffa6217fcd7">BALL::VIEW::InputDeviceDriver</a>.</p>241 <p>Implements·<a·class="el"·href="../../dd/d73/a07766.html#a04a8cedc755bb49d2bb28ffa6217fcd7">BALL::VIEW::InputDeviceDriver</a>.</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/df2/a00656_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../dc/df2/a00656_source.html">fakeDriver.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d5d/a01325_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../dd/d5d/a01325_source.html">fakeDriver.h</a>.</p>
  
243 </div>243 </div>
244 </div>244 </div>
245 </div><!--·contents·-->245 </div><!--·contents·-->
246 <!--·start·footer·part·-->246 <!--·start·footer·part·-->
247 <hr·class="footer"/><address·class="footer"><small>247 <hr·class="footer"/><address·class="footer"><small>
248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8248 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="../../d7/d8c/a06311.html">List·of·all·members</a>··</div>79 <a·href="../../d7/d8c/a06311.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::NonpolarSolvation·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::NonpolarSolvation·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d2/d3d/a01982_source.html">BALL/SCORING/COMPONENTS/nonpolarSolvation.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d38/a02054_source.html">BALL/SCORING/COMPONENTS/nonpolarSolvation.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::NonpolarSolvation:</div>85 Inheritance·diagram·for·BALL::NonpolarSolvation:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../de/ded/a06314.png"·usemap="#BALL::NonpolarSolvation_map"·alt=""/>88 ··<img·src="../../de/ded/a06314.png"·usemap="#BALL::NonpolarSolvation_map"·alt=""/>
89 ··<map·id="BALL::NonpolarSolvation_map"·name="BALL::NonpolarSolvation_map">89 ··<map·id="BALL::NonpolarSolvation_map"·name="BALL::NonpolarSolvation_map">
90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>90 <area·href="../../d4/d3a/a06162.html"·alt="BALL::ScoringComponent"·shape="rect"·coords="0,0,156,24"/>
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218 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>218 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
219 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>219 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
220 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>220 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
221 </table>221 </table>
222 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>222 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
223 <div·class="textblock"><p>SLICK·nonpolar·solvation·component.·{\bf·Definition:}·\URL{BALL/SORING/COMMON/nonpolarSolvation.h}·</p>223 <div·class="textblock"><p>SLICK·nonpolar·solvation·component.·{\bf·Definition:}·\URL{BALL/SORING/COMMON/nonpolarSolvation.h}·</p>
  
224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d3d/a01982_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d2/d3d/a01982_source.html">nonpolarSolvation.h</a>.</p>224 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d38/a02054_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../d7/d38/a02054_source.html">nonpolarSolvation.h</a>.</p>
225 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>225 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
226 <a·id="a6e1005d70e8dfe555708521087feb2ef"·name="a6e1005d70e8dfe555708521087feb2ef"></a>226 <a·id="a6e1005d70e8dfe555708521087feb2ef"·name="a6e1005d70e8dfe555708521087feb2ef"></a>
227 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e1005d70e8dfe555708521087feb2ef">&#9670;&#160;</a></span>CalculationMethod</h2>227 <h2·class="memtitle"><span·class="permalink"><a·href="#a6e1005d70e8dfe555708521087feb2ef">&#9670;&#160;</a></span>CalculationMethod</h2>
  
228 <div·class="memitem">228 <div·class="memitem">
229 <div·class="memproto">229 <div·class="memproto">
230 ······<table·class="memname">230 ······<table·class="memname">
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239 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"·name="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"></a>CALCULATION__NONE&#160;</td><td·class="fielddoc"></td></tr>239 <tr><th·colspan="2">Enumerator</th></tr><tr><td·class="fieldname"><a·id="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"·name="a6e1005d70e8dfe555708521087feb2efaef03bb2def465701bd183523c5e1ef2d"></a>CALCULATION__NONE&#160;</td><td·class="fielddoc"></td></tr>
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80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AxialPredicate:</div>84 Inheritance·diagram·for·BALL::AxialPredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/df1/a04758.png"·usemap="#BALL::AxialPredicate_map"·alt=""/>87 ··<img·src="../../de/df1/a04758.png"·usemap="#BALL::AxialPredicate_map"·alt=""/>
88 ··<map·id="BALL::AxialPredicate_map"·name="BALL::AxialPredicate_map">88 ··<map·id="BALL::AxialPredicate_map"·name="BALL::AxialPredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Axial·predicate.·This·predicate·tries·to·tell·whether·a·C1·of·a·sugar·is·in·axial·position.·</p>131 <div·class="textblock"><p>Axial·predicate.·This·predicate·tries·to·tell·whether·a·C1·of·a·sugar·is·in·axial·position.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00797">797</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a234051bb1bda7b6ec0cae9d54164f355"·name="a234051bb1bda7b6ec0cae9d54164f355"></a>134 <a·id="a234051bb1bda7b6ec0cae9d54164f355"·name="a234051bb1bda7b6ec0cae9d54164f355"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a234051bb1bda7b6ec0cae9d54164f355">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a234051bb1bda7b6ec0cae9d54164f355">&#9670;&#160;</a></span>operator()()</h2>
  
136 <div·class="memitem">136 <div·class="memitem">
137 <div·class="memproto">137 <div·class="memproto">
138 <table·class="mlabels">138 <table·class="mlabels">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d71/a05671.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d71/a05671.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::PropertyError·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::PropertyError·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::PropertyError:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::PropertyError:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/df3/a05674.png"·usemap="#BALL::QSAR::Exception::PropertyError_map"·alt=""/>87 ··<img·src="../../de/df3/a05674.png"·usemap="#BALL::QSAR::Exception::PropertyError_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::PropertyError_map"·name="BALL::QSAR::Exception::PropertyError_map">88 ··<map·id="BALL::QSAR::Exception::PropertyError_map"·name="BALL::QSAR::Exception::PropertyError_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,230,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,230,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·wrong·number·of·properties·or·wrong·format·of·properties·within·structure·input·files·</p>143 <div·class="textblock"><p><a·class="el"·href="../../dd/d67/a02230.html">Exception</a>·for·wrong·number·of·properties·or·wrong·format·of·properties·within·structure·input·files·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00029">29</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a5ac39e0094678466c65987b0b8c3ac42"·name="a5ac39e0094678466c65987b0b8c3ac42"></a>146 <a·id="a5ac39e0094678466c65987b0b8c3ac42"·name="a5ac39e0094678466c65987b0b8c3ac42"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ac39e0094678466c65987b0b8c3ac42">&#9670;&#160;</a></span>PropertyError()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a5ac39e0094678466c65987b0b8c3ac42">&#9670;&#160;</a></span>PropertyError()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../da/d1b/a08499.html">List·of·all·members</a>··</div>78 <a·href="../../da/d1b/a08499.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonValidator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PythonValidator·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d6/deb/a02214.html">Modular·Widgets</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dd/de2/a00320_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d5b/a01127_source.html">BALL/VIEW/WIDGETS/pyWidget.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::PythonValidator:</div>84 Inheritance·diagram·for·BALL::VIEW::PythonValidator:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../de/df3/a08502.png"·usemap="#BALL::VIEW::PythonValidator_map"·alt=""/>87 ··<img·src="../../de/df3/a08502.png"·usemap="#BALL::VIEW::PythonValidator_map"·alt=""/>
88 ··<map·id="BALL::VIEW::PythonValidator_map"·name="BALL::VIEW::PythonValidator_map">88 ··<map·id="BALL::VIEW::PythonValidator_map"·name="BALL::VIEW::PythonValidator_map">
89 <area·href="../../d8/d2d/a20274.html"·alt="QValidator"·shape="rect"·coords="0,0,176,24"/>89 <area·href="../../d8/d2d/a20274.html"·alt="QValidator"·shape="rect"·coords="0,0,176,24"/>
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99 <tr·class="separator:afabe223ab13d59660d9dfac5c877a23f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>99 <tr·class="separator:afabe223ab13d59660d9dfac5c877a23f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 <tr·class="memitem:aeb29de3bada20ddf21f42fffd0da74d4"·id="r_aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memItemLeft"·align="right"·valign="top">virtual·State&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html#aeb29de3bada20ddf21f42fffd0da74d4">validate</a>·(QString·&amp;input,·int·&amp;pos)·const</td></tr>100 <tr·class="memitem:aeb29de3bada20ddf21f42fffd0da74d4"·id="r_aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memItemLeft"·align="right"·valign="top">virtual·State&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/df3/a08502.html#aeb29de3bada20ddf21f42fffd0da74d4">validate</a>·(QString·&amp;input,·int·&amp;pos)·const</td></tr>
101 <tr·class="separator:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:aeb29de3bada20ddf21f42fffd0da74d4"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 </table>102 </table>
103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>103 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
104 <div·class="textblock"><p>Class·for·validating·(and·potentially·fixing)·entered·python·code.·</p>104 <div·class="textblock"><p>Class·for·validating·(and·potentially·fixing)·entered·python·code.·</p>
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de2/a00320_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../dd/de2/a00320_source.html">pyWidget.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d5b/a01127_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d9/d5b/a01127_source.html">pyWidget.h</a>.</p>
106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>106 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
107 <a·id="a94c49cc5d9debe625da2b21f53ee0096"·name="a94c49cc5d9debe625da2b21f53ee0096"></a>107 <a·id="a94c49cc5d9debe625da2b21f53ee0096"·name="a94c49cc5d9debe625da2b21f53ee0096"></a>
108 <h2·class="memtitle"><span·class="permalink"><a·href="#a94c49cc5d9debe625da2b21f53ee0096">&#9670;&#160;</a></span>PythonValidator()</h2>108 <h2·class="memtitle"><span·class="permalink"><a·href="#a94c49cc5d9debe625da2b21f53ee0096">&#9670;&#160;</a></span>PythonValidator()</h2>
  
109 <div·class="memitem">109 <div·class="memitem">
110 <div·class="memproto">110 <div·class="memproto">
111 ······<table·class="memname">111 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../dc/d81/a06611.html">List·of·all·members</a>··</div>77 <a·href="../../dc/d81/a06611.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::SolventParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::SolventParameter·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d1b/a02187.html">Solvation·methods</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d5/df9/a00044_source.html">BALL/SOLVATION/solventParameter.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SOLVATION/solventParameter.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::SolventParameter:</div>83 Inheritance·diagram·for·BALL::SolventParameter:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../de/df4/a06614.png"·usemap="#BALL::SolventParameter_map"·alt=""/>86 ··<img·src="../../de/df4/a06614.png"·usemap="#BALL::SolventParameter_map"·alt=""/>
87 ··<map·id="BALL::SolventParameter_map"·name="BALL::SolventParameter_map">87 ··<map·id="BALL::SolventParameter_map"·name="BALL::SolventParameter_map">
88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>88 <area·href="../../db/d64/a04082.html"·alt="BALL::ParameterSection"·shape="rect"·coords="0,0,149,24"/>
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200 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>200 <tr·class="separator:a0c39f5a7e13d1ce5168e4c1a93331dd1·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
201 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>201 <tr·class="memitem:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"·id="r_a6796b9863be9088c8ce3b3d507b7ee78"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d64/a04082.html#a6796b9863be9088c8ce3b3d507b7ee78">valid_</a></td></tr>
202 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>202 <tr·class="separator:a6796b9863be9088c8ce3b3d507b7ee78·inherit·pro_attribs_a04082"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
203 </table>203 </table>
204 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>204 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
205 <div·class="textblock"><p>Parameter·section·for·the·solvent·description.·This·class·provides·parameter·file·interface·for·the·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·class·(·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor·</a>·).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>205 <div·class="textblock"><p>Parameter·section·for·the·solvent·description.·This·class·provides·parameter·file·interface·for·the·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor</a>·class·(·<a·class="el"·href="../../da/dd2/a06610.html">SolventDescriptor·</a>·).·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
  
206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/df9/a00044_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d5/df9/a00044_source.html">solventParameter.h</a>.</p>206 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">solventParameter.h</a>.</p>
207 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>207 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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 71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_cb7d9e2f192bb96909a12186ca187629.html">STRUCTURE</a></li>··</ul>
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71 ··<div·class="headertitle"><div·class="title">parameter.doc·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">assignBondOrderProcessor.h·File·Reference</div></div>
72 </div><!--header-->79 </div><!--header-->
73 <div·class="contents">80 <div·class="contents">
 81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d2/d5e/a00860_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d5/d5b/a00695_source.html">BALL/DATATYPE/hashMap.h</a>&gt;</code><br·/>
 84 <code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>
 85 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>
 88 <code>#include·&lt;<a·class="el"·href="../../d4/dfa/a00746_source.html">BALL/SYSTEM/timer.h</a>&gt;</code><br·/>
 89 <code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
 90 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
 91 <code>#include·&lt;<a·class="el"·href="../../d6/d15/a01697_source.html">BALL/STRUCTURE/BONDORDERS/partialBondOrderAssignment.h</a>&gt;</code><br·/>
 92 <code>#include·&lt;map&gt;</code><br·/>
 93 <code>#include·&lt;vector&gt;</code><br·/>
 94 </div>
 95 <p><a·href="../../de/df6/a01670_source.html">Go·to·the·source·code·of·this·file.</a></p>
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 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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 104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">editSettings.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">regressionModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d5e/a00467_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d13/a00377_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/UIC/ui_editSettings.h&gt;</code><br·/> 
84 <code>#include·&lt;QtWidgets/QWidget&gt;</code><br·/>83 <code>#include·&lt;fstream&gt;</code><br·/>
85 </div>84 </div>
86 <p><a·href="../../de/df8/a00440_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/df8/a00440_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">86 <table·class="memberdecls">
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">RDFIntegrator.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">logP.h·File·Reference</div></div>
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81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dce/a01859_source.html">BALL/STRUCTURE/radialDistributionFunction.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/STRUCTURE/molecularSimilarity.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../de/dfb/a01874_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../de/dfb/a01874_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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80 <a·href="../../db/d9d/a07995.html">List·of·all·members</a>··</div>80 <a·href="../../db/d9d/a07995.html">List·of·all·members</a>··</div>
81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimulationThread·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::VIEW::SimulationThread·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/VIEW/KERNEL/threads.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::VIEW::SimulationThread:</div>86 Inheritance·diagram·for·BALL::VIEW::SimulationThread:</div>
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88 ·<div·class="center">88 ·<div·class="center">
89 ··<img·src="../../df/d00/a07998.png"·usemap="#BALL::VIEW::SimulationThread_map"·alt=""/>89 ··<img·src="../../df/d00/a07998.png"·usemap="#BALL::VIEW::SimulationThread_map"·alt=""/>
90 ··<map·id="BALL::VIEW::SimulationThread_map"·name="BALL::VIEW::SimulationThread_map">90 ··<map·id="BALL::VIEW::SimulationThread_map"·name="BALL::VIEW::SimulationThread_map">
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152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>Baseclass·for·threads,·which·perform·a·simulation.·At·the·end·of·the·<a·class="el"·href="../../dc/da9/a07982.html#af035dee34596a6edf564fecd995b76be">run()</a>·method,·always·call·<a·class="el"·href="../../df/d00/a07998.html#aec64c2be1cc896f05b2a885ec325b357"·title="Notifies·the·main·thread·to·delete·the·simulating·thread.">finish_()</a>·to·notify·the·main·thread·to·delete·the·simulation·thread,·otherwise·there·will·be·a·memory·leak.·</p>153 <div·class="textblock"><p>Baseclass·for·threads,·which·perform·a·simulation.·At·the·end·of·the·<a·class="el"·href="../../dc/da9/a07982.html#af035dee34596a6edf564fecd995b76be">run()</a>·method,·always·call·<a·class="el"·href="../../df/d00/a07998.html#aec64c2be1cc896f05b2a885ec325b357"·title="Notifies·the·main·thread·to·delete·the·simulating·thread.">finish_()</a>·to·notify·the·main·thread·to·delete·the·simulation·thread,·otherwise·there·will·be·a·memory·leak.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00189">189</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00189">189</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="af627047d94d65101859466a73bfd18ff"·name="af627047d94d65101859466a73bfd18ff"></a>156 <a·id="af627047d94d65101859466a73bfd18ff"·name="af627047d94d65101859466a73bfd18ff"></a>
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255 <h2·class="memtitle"><span·class="permalink"><a·href="#a4928e7d4064cbcda7951ee2dbffe1cb5">&#9670;&#160;</a></span>setNumberOfStepsBetweenUpdates()</h2>255 <h2·class="memtitle"><span·class="permalink"><a·href="#a4928e7d4064cbcda7951ee2dbffe1cb5">&#9670;&#160;</a></span>setNumberOfStepsBetweenUpdates()</h2>
  
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279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>279 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00198">198</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
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283 <h2·class="memtitle"><span·class="permalink"><a·href="#abb9a3164f586f2336722367131c7a633">&#9670;&#160;</a></span>setTrajectoryFile()</h2>283 <h2·class="memtitle"><span·class="permalink"><a·href="#abb9a3164f586f2336722367131c7a633">&#9670;&#160;</a></span>setTrajectoryFile()</h2>
  
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312 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c9e22c065f1e4ac4b5ca2c1812b410b">&#9670;&#160;</a></span>steps_between_updates_</h2>312 <h2·class="memtitle"><span·class="permalink"><a·href="#a1c9e22c065f1e4ac4b5ca2c1812b410b">&#9670;&#160;</a></span>steps_between_updates_</h2>
  
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332 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d27/a00239_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../d0/d27/a00239_source.html">threads.h</a>.</p>332 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d91/a01034_source.html#l00215">215</a>·of·file·<a·class="el"·href="../../de/d91/a01034_source.html">threads.h</a>.</p>
  
333 </div>333 </div>
334 </div>334 </div>
335 <a·id="ab1053f1c3edc5bfc268b6ed98a6d2540"·name="ab1053f1c3edc5bfc268b6ed98a6d2540"></a>335 <a·id="ab1053f1c3edc5bfc268b6ed98a6d2540"·name="ab1053f1c3edc5bfc268b6ed98a6d2540"></a>
336 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1053f1c3edc5bfc268b6ed98a6d2540">&#9670;&#160;</a></span>trajectory_file_</h2>336 <h2·class="memtitle"><span·class="permalink"><a·href="#ab1053f1c3edc5bfc268b6ed98a6d2540">&#9670;&#160;</a></span>trajectory_file_</h2>
  
337 <div·class="memitem">337 <div·class="memitem">
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350 ··</td>350 ··</td>
351 ··<td·class="mlabels-right">351 ··<td·class="mlabels-right">
352 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>352 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
353 ··</tr>353 ··</tr>
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359 </div><!--·contents·-->359 </div><!--·contents·-->
360 <!--·start·footer·part·-->360 <!--·start·footer·part·-->
361 <hr·class="footer"/><address·class="footer"><small>361 <hr·class="footer"/><address·class="footer"><small>
362 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8362 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·structure.h·File·Reference</title>8 <title>BALL:·gradient.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
 75 ··<div·class="summary">
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75 ··<div·class="headertitle"><div·class="title">structure.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">gradient.h·File·Reference</div></div>
76 </div><!--header-->79 </div><!--header-->
77 <div·class="contents">80 <div·class="contents">
78 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d54/a01691_source.html">BALL/STRUCTURE/analyticalSES.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
79 <code>#include·&lt;<a·class="el"·href="../../db/d66/a01721_source.html">BALL/STRUCTURE/defaultProcessors.h</a>&gt;</code><br·/> 
80 <code>#include·&lt;<a·class="el"·href="../../da/d8b/a01871_source.html">BALL/STRUCTURE/fragmentDB.h</a>&gt;</code><br·/> 
81 <code>#include·&lt;<a·class="el"·href="../../d4/d0d/a01904_source.html">BALL/STRUCTURE/geometricProperties.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d9/dd5/a01886_source.html">BALL/STRUCTURE/geometricTransformations.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d2/d5b/a01841_source.html">BALL/STRUCTURE/numericalSAS.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d5/dd6/a01820_source.html">BALL/STRUCTURE/residueChecker.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../dd/d8e/a01898_source.html">BALL/STRUCTURE/rotamerLibrary.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../d6/d27/a01781_source.html">BALL/STRUCTURE/structureMapper.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;vector&gt;</code><br·/>
87 </div>84 </div>
88 <p><a·href="../../df/d03/a00062_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/d03/a00062_source.html">Go·to·the·source·code·of·this·file.</a></p>
 86 <table·class="memberdecls">
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79 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Option·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::EmpiricalHSShiftProcessor::Option·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.··82 <p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.··
83 ·<a·href="../../df/d07/a05474.html#details">More...</a></p>83 ·<a·href="../../df/d07/a05474.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d5/d67/a01070_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d3/deb/a01619_source.html">BALL/NMR/empiricalHSShiftProcessor.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
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87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
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90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock"><p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.·</p>92 <div·class="textblock"><p><a·class="el"·href="../../df/d07/a05474.html"·title="Option·names.">Option</a>·names.·</p>
  
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01070_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d5/d67/a01070_source.html">empiricalHSShiftProcessor.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00054">54</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a426df0d23948dde7847555fd0665a353"·name="a426df0d23948dde7847555fd0665a353"></a>95 <a·id="a426df0d23948dde7847555fd0665a353"·name="a426df0d23948dde7847555fd0665a353"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a426df0d23948dde7847555fd0665a353">&#9670;&#160;</a></span>VERBOSITY</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a426df0d23948dde7847555fd0665a353">&#9670;&#160;</a></span>VERBOSITY</h2>
  
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98 <div·class="memproto">98 <div·class="memproto">
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112 ··<td·class="mlabels-right">112 ··<td·class="mlabels-right">
113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>113 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
114 ··</tr>114 ··</tr>
115 </table>115 </table>
116 </div><div·class="memdoc">116 </div><div·class="memdoc">
117 <p>verbosity·of·the·processor·</p>117 <p>verbosity·of·the·processor·</p>
  
118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d67/a01070_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d5/d67/a01070_source.html">empiricalHSShiftProcessor.h</a>.</p>118 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/deb/a01619_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d3/deb/a01619_source.html">empiricalHSShiftProcessor.h</a>.</p>
  
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79 ··<div·class="headertitle"><div·class="title">BALL::Substring::UnboundSubstring·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Substring::UnboundSubstring·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code></p>
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142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·unbound·substring·is·accessed.·This·exception·is·thrown·by·most·accessors·and·predicates·of·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·if·the·substring·is·not·bound·to·a·string.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·thrown·if·an·unbound·substring·is·accessed.·This·exception·is·thrown·by·most·accessors·and·predicates·of·<a·class="el"·href="../../de/da3/a03606.html">Substring</a>·if·the·substring·is·not·bound·to·a·string.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d88/a00128_source.html#l01401">1401</a>·of·file·<a·class="el"·href="../../d1/d88/a00128_source.html">string.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d56/a00707_source.html#l01401">1401</a>·of·file·<a·class="el"·href="../../d1/d56/a00707_source.html">string.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">chain.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">molecularInformation.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/dcf/a00845_source.html">BALL/CONCEPT/composite.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../da/db8/a00797_source.html">BALL/KERNEL/secondaryStructureIterator.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../df/d0c/a00788_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/d0c/a00788_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 </table><table·class="memberdecls"> 
97 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
98 Macros</h2></td></tr> 
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100 <tr·class="separator:a9dc8ffbe67ba9320537500a544a37a69"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
101 </table>94 </table>
102 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
103 <a·id="a9dc8ffbe67ba9320537500a544a37a69"·name="a9dc8ffbe67ba9320537500a544a37a69"></a> 
104 <h2·class="memtitle"><span·class="permalink"><a·href="#a9dc8ffbe67ba9320537500a544a37a69">&#9670;&#160;</a></span>BALL_CHAIN_DEFAULT_NAME</h2> 
  
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106 <div·class="memproto"> 
107 ······<table·class="memname"> 
108 ········<tr> 
109 ··········<td·class="memname">#define·BALL_CHAIN_DEFAULT_NAME&#160;&#160;&#160;'·'</td> 
110 ········</tr> 
111 ······</table> 
112 </div><div·class="memdoc"> 
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00017">17</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">chain.h</a>.</p> 
  
114 </div> 
115 </div> 
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">moleculeIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">visitor.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/> 
85 </div>82 </div>
86 <p><a·href="../../df/d0e/a00800_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/d0e/a00800_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">84 <table·class="memberdecls">
88 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
89 Classes</h2></td></tr>86 Classes</h2></td></tr>
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d6e/a04546.html">BALL::MoleculeIteratorTraits</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d83/a03382.html">BALL::Visitor&lt;·Host·&gt;</a></td></tr>
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table><table·class="memberdecls">89 </table><table·class="memberdecls">
93 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>90 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
94 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
99 Typedefs</h2></td></tr> 
100 <tr·class="memitem:a2b17b94ab2d9cd1346445d6e32009592"·id="r_a2b17b94ab2d9cd1346445d6e32009592"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/d6e/a03226.html">BidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../d9/d6e/a04546.html">MoleculeIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a2b17b94ab2d9cd1346445d6e32009592">BALL::MoleculeIterator</a></td></tr> 
101 <tr·class="separator:a2b17b94ab2d9cd1346445d6e32009592"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:a0e74553a2c1747b4d4a9b8fce7d7a4ff"·id="r_a0e74553a2c1747b4d4a9b8fce7d7a4ff"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d5/d2f/a03222.html">ConstBidirectionalIterator</a>&lt;·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>,·<a·class="el"·href="../../d9/d73/a04542.html">Molecule</a>,·<a·class="el"·href="../../d8/deb/a03246.html#ae36f0264e5d5fdf9fe0849a87b6187c1">Composite::CompositeIterator</a>,·<a·class="el"·href="../../d9/d6e/a04546.html">MoleculeIteratorTraits</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a0e74553a2c1747b4d4a9b8fce7d7a4ff">BALL::MoleculeConstIterator</a></td></tr> 
103 <tr·class="separator:a0e74553a2c1747b4d4a9b8fce7d7a4ff"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
104 <tr·class="memitem:a545c2f0bf35b9ce7ccf8c807a52f443f"·id="r_a545c2f0bf35b9ce7ccf8c807a52f443f"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#a2b17b94ab2d9cd1346445d6e32009592">MoleculeIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a545c2f0bf35b9ce7ccf8c807a52f443f">BALL::MoleculeReverseIterator</a></td></tr> 
105 <tr·class="separator:a545c2f0bf35b9ce7ccf8c807a52f443f"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:ab943daeddb30c327d528fd1e69e72c25"·id="r_ab943daeddb30c327d528fd1e69e72c25"><td·class="memItemLeft"·align="right"·valign="top">typedef·std::reverse_iterator&lt;·<a·class="el"·href="../../da/da2/a02217.html#a0e74553a2c1747b4d4a9b8fce7d7a4ff">MoleculeConstIterator</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ab943daeddb30c327d528fd1e69e72c25">BALL::MoleculeConstReverseIterator</a></td></tr> 
107 <tr·class="separator:ab943daeddb30c327d528fd1e69e72c25"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
108 </table>94 </table>
109 </div><!--·contents·-->95 </div><!--·contents·-->
110 <!--·start·footer·part·-->96 <!--·start·footer·part·-->
111 <hr·class="footer"/><address·class="footer"><small>97 <hr·class="footer"/><address·class="footer"><small>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/df0/a05067.html">List·of·all·members</a>··</div>78 <a·href="../../d3/df0/a05067.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::ChargeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::ChargeRuleProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d4/d63/a02173.html">Rule-based·parameter·assignment</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/dee/a01646_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/dc2/a00104_source.html">BALL/MOLMEC/COMMON/chargeRuleProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::ChargeRuleProcessor:</div>84 Inheritance·diagram·for·BALL::ChargeRuleProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d0f/a05070.png"·usemap="#BALL::ChargeRuleProcessor_map"·alt=""/>87 ··<img·src="../../df/d0f/a05070.png"·usemap="#BALL::ChargeRuleProcessor_map"·alt=""/>
88 ··<map·id="BALL::ChargeRuleProcessor_map"·name="BALL::ChargeRuleProcessor_map">88 ··<map·id="BALL::ChargeRuleProcessor_map"·name="BALL::ChargeRuleProcessor_map">
89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>89 <area·href="../../d1/ddb/a05106.html"·alt="BALL::RuleProcessor"·shape="rect"·coords="0,112,286,136"/>
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163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>163 <tr·class="separator:a6b407f3e2cbcec8c2d319bb1a2ca86e0·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>164 <tr·class="memitem:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"·id="r_a229397c3d49a8b6d9a6b5d3583f5f6b5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/ddb/a05106.html#a229397c3d49a8b6d9a6b5d3583f5f6b5">valid_</a></td></tr>
165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>165 <tr·class="separator:a229397c3d49a8b6d9a6b5d3583f5f6b5·inherit·pro_attribs_a05106"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
166 </table>166 </table>
167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>167 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
168 <div·class="textblock"><p>Charge·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>168 <div·class="textblock"><p>Charge·Rule·<a·class="el"·href="../../de/d93/a03330.html">Processor</a>.·</p>
  
169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dee/a01646_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/dee/a01646_source.html">chargeRuleProcessor.h</a>.</p>169 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dc2/a00104_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/dc2/a00104_source.html">chargeRuleProcessor.h</a>.</p>
170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>170 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
171 <a·id="adf79c776cf46686bedceed0ff3fd110a"·name="adf79c776cf46686bedceed0ff3fd110a"></a>171 <a·id="adf79c776cf46686bedceed0ff3fd110a"·name="adf79c776cf46686bedceed0ff3fd110a"></a>
172 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79c776cf46686bedceed0ff3fd110a">&#9670;&#160;</a></span>ChargeRuleProcessor()·<span·class="overload">[1/3]</span></h2>172 <h2·class="memtitle"><span·class="permalink"><a·href="#adf79c776cf46686bedceed0ff3fd110a">&#9670;&#160;</a></span>ChargeRuleProcessor()·<span·class="overload">[1/3]</span></h2>
  
173 <div·class="memitem">173 <div·class="memitem">
174 <div·class="memproto">174 <div·class="memproto">
175 ······<table·class="memname">175 ······<table·class="memname">
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d8/da2/a06031.html">List·of·all·members</a>··</div>77 <a·href="../../d8/da2/a06031.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SNBModel·Class·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">BALL::QSAR::SNBModel·Class·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d1/dd8/a01022_source.html">BALL/QSAR/snBModel.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../dd/db5/a00365_source.html">BALL/QSAR/snBModel.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::QSAR::SNBModel:</div>83 Inheritance·diagram·for·BALL::QSAR::SNBModel:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../df/d0f/a06034.png"·usemap="#BALL::QSAR::SNBModel_map"·alt=""/>86 ··<img·src="../../df/d0f/a06034.png"·usemap="#BALL::QSAR::SNBModel_map"·alt=""/>
87 ··<map·id="BALL::QSAR::SNBModel_map"·name="BALL::QSAR::SNBModel_map">87 ··<map·id="BALL::QSAR::SNBModel_map"·name="BALL::QSAR::SNBModel_map">
88 <area·href="../../dc/d69/a05614.html"·alt="BALL::QSAR::BayesModel"·shape="rect"·coords="0,112,200,136"/>88 <area·href="../../dc/d69/a05614.html"·alt="BALL::QSAR::BayesModel"·shape="rect"·coords="0,112,200,136"/>
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257 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>257 <tr·class="separator:a98cf33042b9e2ce9dbc716fc1842f73a·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
258 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>258 <tr·class="memitem:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"·id="r_a149c754208ff68e5c42858dbc888e46f"><td·class="memItemLeft"·align="right"·valign="top">std::multiset&lt;·unsigned·int·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc9/a05774.html#a149c754208ff68e5c42858dbc888e46f">descriptor_IDs_</a></td></tr>
259 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>259 <tr·class="separator:a149c754208ff68e5c42858dbc888e46f·inherit·pro_attribs_a05774"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
260 </table>260 </table>
261 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>261 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
262 <div·class="textblock"><p>class·for·simple·naive·Bayes·</p>262 <div·class="textblock"><p>class·for·simple·naive·Bayes·</p>
  
263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dd8/a01022_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../d1/dd8/a01022_source.html">snBModel.h</a>.</p>263 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/db5/a00365_source.html#l00026">26</a>·of·file·<a·class="el"·href="../../dd/db5/a00365_source.html">snBModel.h</a>.</p>
264 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>264 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
265 <a·id="acd2a1f4010d2db729d8e337c77ccb688"·name="acd2a1f4010d2db729d8e337c77ccb688"></a>265 <a·id="acd2a1f4010d2db729d8e337c77ccb688"·name="acd2a1f4010d2db729d8e337c77ccb688"></a>
266 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2a1f4010d2db729d8e337c77ccb688">&#9670;&#160;</a></span>SNBModel()</h2>266 <h2·class="memtitle"><span·class="permalink"><a·href="#acd2a1f4010d2db729d8e337c77ccb688">&#9670;&#160;</a></span>SNBModel()</h2>
  
267 <div·class="memitem">267 <div·class="memitem">
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78 ··<div·class="headertitle"><div·class="title">HBondProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">branchAndBoundBondOrderStrategy.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d53/a01688_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignmentStrategy.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d7e/a00809_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d4/d26/a01700_source.html">BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../de/d96/a01685_source.html">BALL/STRUCTURE/BONDORDERS/KGreedyBondOrderStrategy.h</a>&gt;</code><br·/>
84 <code>#include·&lt;<a·class="el"·href="../../da/dec/a00080_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;vector&gt;</code><br·/> 
86 <code>#include·&lt;map&gt;</code><br·/> 
87 </div>84 </div>
88 <p><a·href="../../df/d12/a01703_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/d12/a01703_source.html">Go·to·the·source·code·of·this·file.</a></p>
89 <table·class="memberdecls">86 <table·class="memberdecls">
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93 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Computation·of·hydrogen·bonds·from·topology·information.··<a·href="../../d1/d96/a06918.html#details">More...</a><br·/></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
103 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dbb/a06934.html">BALL::HBondProcessor::PredictionMethod</a></td></tr> 
104 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d7/db6/a06930.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d9/dbb/a06934.html#details">More...</a><br·/></td></tr> 
105 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
106 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d6/d02/a06938.html">BALL::HBondProcessor::ResidueData</a></td></tr> 
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80 ··<div·class="headertitle"><div·class="title">BALL::AromaticRingStacking·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::AromaticRingStacking·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d5/da1/a01988_source.html">BALL/SCORING/COMPONENTS/aromaticRingStacking.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d9d/a02072_source.html">BALL/SCORING/COMPONENTS/aromaticRingStacking.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
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200 </table>200 </table>
201 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>201 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
202 <div·class="textblock">202 <div·class="textblock">
203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da1/a01988_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d5/da1/a01988_source.html">aromaticRingStacking.h</a>.</p>203 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d9d/a02072_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../de/d9d/a02072_source.html">aromaticRingStacking.h</a>.</p>
204 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>204 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
205 <a·id="ac3fe05012b5203166b8e4cfc0e7bebd3"·name="ac3fe05012b5203166b8e4cfc0e7bebd3"></a>205 <a·id="ac3fe05012b5203166b8e4cfc0e7bebd3"·name="ac3fe05012b5203166b8e4cfc0e7bebd3"></a>
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207 <div·class="memitem">207 <div·class="memitem">
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67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_0f44562fa0092558829ef2f34049a706.html">MODELS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>
72 </div>72 </div>
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78 ··<div·class="headertitle"><div·class="title">atomBondModelBaseProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">aromaticityProcessor.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/d1f/a00506_source.html">BALL/KERNEL/atomContainer.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/dc9/a00389_source.html">BALL/VIEW/MODELS/modelProcessor.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
83 <code>#include·&lt;BALL/VIEW/MODELS/atomBondModelBaseProcessor.iC&gt;</code><br·/> 
84 </div>83 </div>
85 <p><a·href="../../df/d15/a00416_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../df/d15/a00416_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">85 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>87 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/d56/a08018.html">BALL::VIEW::AtomBondModelBaseProcessor</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/d82/a05598.html">BALL::AromaticityProcessor</a></td></tr>
 89 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">This·processor·provides·methods·for·detection·and·assignment·of·aromaticity.··<a·href="../../dd/d82/a05598.html#details">More...</a><br·/></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dd6/a05602.html">BALL::AromaticityProcessor::Option</a></td></tr>
 92 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../dd/dd6/a05602.html"·title="Option·names.">Option</a>·names.··<a·href="../../dd/dd6/a05602.html#details">More...</a><br·/></td></tr>
 93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/dc0/a05606.html">BALL::AromaticityProcessor::Default</a></td></tr>
 95 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight"><a·class="el"·href="../../d9/dc0/a05606.html"·title="Default·values·for·options.">Default</a>·values·for·options.··<a·href="../../d9/dc0/a05606.html#details">More...</a><br·/></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">97 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>99 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>100 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>102 </table>
99 </div><!--·contents·-->103 </div><!--·contents·-->
100 <!--·start·footer·part·-->104 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>105 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8106 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
103 </small></address>107 </small></address>
104 </body>108 </body>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../d7/dda/a04947.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dda/a04947.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AmberTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AmberTorsion·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d9/d86/a02170.html">AMBER·Force·Field.</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/db6/a01556_source.html">BALL/MOLMEC/AMBER/amberTorsion.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d52/a00023_source.html">BALL/MOLMEC/AMBER/amberTorsion.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::AmberTorsion:</div>84 Inheritance·diagram·for·BALL::AmberTorsion:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d1b/a04950.png"·usemap="#BALL::AmberTorsion_map"·alt=""/>87 ··<img·src="../../df/d1b/a04950.png"·usemap="#BALL::AmberTorsion_map"·alt=""/>
88 ··<map·id="BALL::AmberTorsion_map"·name="BALL::AmberTorsion_map">88 ··<map·id="BALL::AmberTorsion_map"·name="BALL::AmberTorsion_map">
89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>89 <area·href="../../d1/d1f/a05078.html"·alt="BALL::ForceFieldComponent"·shape="rect"·coords="0,56,174,80"/>
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231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>231 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>232 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>233 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
234 </table>234 </table>
235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>235 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
236 <div·class="textblock"><p>Amber·bond·stretch·component·</p>236 <div·class="textblock"><p>Amber·bond·stretch·component·</p>
  
237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/db6/a01556_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d7/db6/a01556_source.html">amberTorsion.h</a>.</p>237 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d52/a00023_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d3/d52/a00023_source.html">amberTorsion.h</a>.</p>
238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>238 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
239 <a·id="ad49a2e05d4b95ef643f9059f7d019a87"·name="ad49a2e05d4b95ef643f9059f7d019a87"></a>239 <a·id="ad49a2e05d4b95ef643f9059f7d019a87"·name="ad49a2e05d4b95ef643f9059f7d019a87"></a>
240 <h2·class="memtitle"><span·class="permalink"><a·href="#ad49a2e05d4b95ef643f9059f7d019a87">&#9670;&#160;</a></span>AmberTorsion()·<span·class="overload">[1/3]</span></h2>240 <h2·class="memtitle"><span·class="permalink"><a·href="#ad49a2e05d4b95ef643f9059f7d019a87">&#9670;&#160;</a></span>AmberTorsion()·<span·class="overload">[1/3]</span></h2>
  
241 <div·class="memitem">241 <div·class="memitem">
242 <div·class="memproto">242 <div·class="memproto">
243 ······<table·class="memname">243 ······<table·class="memname">
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79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;79 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;80 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
81 <a·href="../../d9/dba/a05287.html">List·of·all·members</a>··</div>81 <a·href="../../d9/dba/a05287.html">List·of·all·members</a>··</div>
82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94PlaneParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>82 ··<div·class="headertitle"><div·class="title">BALL::MMFF94PlaneParameters·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../d3/d90/a02177.html">Molecular·Mechanics</a>·&raquo;·<a·class="el"·href="../../d6/d34/a02176.html">MMFF94·Force·Field.</a></div></div></div>
83 </div><!--header-->83 </div><!--header-->
84 <div·class="contents">84 <div·class="contents">
  
85 <p><code>#include·&lt;<a·class="el"·href="../../da/dd5/a01580_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>85 <p><code>#include·&lt;<a·class="el"·href="../../df/dc8/a00122_source.html">BALL/MOLMEC/MMFF94/MMFF94Parameters.h</a>&gt;</code></p>
86 <div·class="dynheader">86 <div·class="dynheader">
87 Inheritance·diagram·for·BALL::MMFF94PlaneParameters:</div>87 Inheritance·diagram·for·BALL::MMFF94PlaneParameters:</div>
88 <div·class="dyncontent">88 <div·class="dyncontent">
89 ·<div·class="center">89 ·<div·class="center">
90 ··<img·src="../../df/d26/a05290.png"·usemap="#BALL::MMFF94PlaneParameters_map"·alt=""/>90 ··<img·src="../../df/d26/a05290.png"·usemap="#BALL::MMFF94PlaneParameters_map"·alt=""/>
91 ··<map·id="BALL::MMFF94PlaneParameters_map"·name="BALL::MMFF94PlaneParameters_map">91 ··<map·id="BALL::MMFF94PlaneParameters_map"·name="BALL::MMFF94PlaneParameters_map">
92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,197,24"/>92 <area·href="../../d8/de7/a05250.html"·alt="BALL::MMFF94ParametersBase"·shape="rect"·coords="0,0,197,24"/>
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154 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>154 <tr·class="separator:a84d92d3f781cbfdb13dfc7d7e6746a31·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
155 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>155 <tr·class="memitem:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"·id="r_a7ac0bd3f9d2ca2be3d21d92ea845a1e5"><td·class="memItemLeft"·align="right"·valign="top">const·<a·class="el"·href="../../d2/dbd/a05254.html">MMFF94AtomTypeEquivalences</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/de7/a05250.html#a7ac0bd3f9d2ca2be3d21d92ea845a1e5">equiv_</a></td></tr>
156 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>156 <tr·class="separator:a7ac0bd3f9d2ca2be3d21d92ea845a1e5·inherit·pro_attribs_a05250"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
157 </table>157 </table>
158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>158 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
159 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·out·of·plane·bending·(see·MMFFOOR.PAR)·</p>159 <div·class="textblock"><p><a·class="el"·href="../../d5/d9b/a05222.html">MMFF94</a>·parameters·for·out·of·plane·bending·(see·MMFFOOR.PAR)·</p>
  
160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00414">414</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>160 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00414">414</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>161 </div><h2·class="groupheader">Member·Typedef·Documentation</h2>
162 <a·id="ade3577ed03c4f39229dd368dd4bc3fdc"·name="ade3577ed03c4f39229dd368dd4bc3fdc"></a>162 <a·id="ade3577ed03c4f39229dd368dd4bc3fdc"·name="ade3577ed03c4f39229dd368dd4bc3fdc"></a>
163 <h2·class="memtitle"><span·class="permalink"><a·href="#ade3577ed03c4f39229dd368dd4bc3fdc">&#9670;&#160;</a></span>PlaneMap</h2>163 <h2·class="memtitle"><span·class="permalink"><a·href="#ade3577ed03c4f39229dd368dd4bc3fdc">&#9670;&#160;</a></span>PlaneMap</h2>
  
164 <div·class="memitem">164 <div·class="memitem">
165 <div·class="memproto">165 <div·class="memproto">
166 ······<table·class="memname">166 ······<table·class="memname">
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170 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/d26/a05290.html#ade3577ed03c4f39229dd368dd4bc3fdc">BALL::MMFF94PlaneParameters::PlaneMap</a></td>170 ··········<td·class="memname">typedef·<a·class="el"·href="../../d0/de9/a03530.html">HashMap</a>&lt;<a·class="el"·href="../../de/dc5/a03602.html">String</a>,·<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/d26/a05290.html#ade3577ed03c4f39229dd368dd4bc3fdc">BALL::MMFF94PlaneParameters::PlaneMap</a></td>
171 ········</tr>171 ········</tr>
172 ······</table>172 ······</table>
173 </div><div·class="memdoc">173 </div><div·class="memdoc">
  
174 <p>Map·with·the·force·constant.·</p>174 <p>Map·with·the·force·constant.·</p>
  
175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>175 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00420">420</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
176 </div>176 </div>
177 </div>177 </div>
178 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>178 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
179 <a·id="abfdc2404012a36497f86945b56738ee5"·name="abfdc2404012a36497f86945b56738ee5"></a>179 <a·id="abfdc2404012a36497f86945b56738ee5"·name="abfdc2404012a36497f86945b56738ee5"></a>
180 <h2·class="memtitle"><span·class="permalink"><a·href="#abfdc2404012a36497f86945b56738ee5">&#9670;&#160;</a></span>MMFF94PlaneParameters()</h2>180 <h2·class="memtitle"><span·class="permalink"><a·href="#abfdc2404012a36497f86945b56738ee5">&#9670;&#160;</a></span>MMFF94PlaneParameters()</h2>
  
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414 ··</td>414 ··</td>
415 ··<td·class="mlabels-right">415 ··<td·class="mlabels-right">
416 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>416 <span·class="mlabels"><span·class="mlabel">mutable</span><span·class="mlabel">protected</span></span>··</td>
417 ··</tr>417 ··</tr>
418 </table>418 </table>
419 </div><div·class="memdoc">419 </div><div·class="memdoc">
  
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421 </div>421 </div>
422 </div>422 </div>
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424 <h2·class="memtitle"><span·class="permalink"><a·href="#afb5a8603f1904d121732df49c3410486">&#9670;&#160;</a></span>parameters_</h2>424 <h2·class="memtitle"><span·class="permalink"><a·href="#afb5a8603f1904d121732df49c3410486">&#9670;&#160;</a></span>parameters_</h2>
  
425 <div·class="memitem">425 <div·class="memitem">
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440 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>440 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
441 ··</tr>441 ··</tr>
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443 </div><div·class="memdoc">443 </div><div·class="memdoc">
  
444 <p>parameters·</p>444 <p>parameters·</p>
  
445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/dd5/a01580_source.html#l00448">448</a>·of·file·<a·class="el"·href="../../da/dd5/a01580_source.html">MMFF94Parameters.h</a>.</p>445 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/dc8/a00122_source.html#l00448">448</a>·of·file·<a·class="el"·href="../../df/dc8/a00122_source.html">MMFF94Parameters.h</a>.</p>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../de/d08/a08475.html">List·of·all·members</a>··</div>79 <a·href="../../de/d08/a08475.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StringEditorWidget·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::StringEditorWidget·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/def/a00359_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../dd/df1/a01082_source.html">BALL/VIEW/WIDGETS/propertyEditor.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
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87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/d29/a08478.png"·usemap="#BALL::VIEW::StringEditorWidget_map"·alt=""/>88 ··<img·src="../../df/d29/a08478.png"·usemap="#BALL::VIEW::StringEditorWidget_map"·alt=""/>
89 ··<map·id="BALL::VIEW::StringEditorWidget_map"·name="BALL::VIEW::StringEditorWidget_map">89 ··<map·id="BALL::VIEW::StringEditorWidget_map"·name="BALL::VIEW::StringEditorWidget_map">
90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,190,80"/>90 <area·href="../../d1/d8b/a08454.html"·alt="BALL::VIEW::PropEditorWidget"·shape="rect"·coords="0,56,190,80"/>
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142 </table>142 </table>
143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>143 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
144 <div·class="textblock">144 <div·class="textblock">
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/def/a00359_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../d4/def/a00359_source.html">propertyEditor.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/df1/a01082_source.html#l00204">204</a>·of·file·<a·class="el"·href="../../dd/df1/a01082_source.html">propertyEditor.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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148 <h2·class="memtitle"><span·class="permalink"><a·href="#a555358fdd8ca882bae451f23ca40d4bd">&#9670;&#160;</a></span>StringEditorWidget()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a555358fdd8ca882bae451f23ca40d4bd">&#9670;&#160;</a></span>StringEditorWidget()</h2>
  
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPlugin·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ModularWidgetPlugin·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d0/d5c/a00668_source.html">BALL/VIEW/PLUGIN/modularWidgetPlugin.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d9/d65/a01145_source.html">BALL/VIEW/PLUGIN/modularWidgetPlugin.h</a>&gt;</code></p>
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88 <tr·class="separator:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a80d5e2eaf16eb4b66703c826a90cefe8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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95 <tr·class="memitem:a6680d9bd30e1f348b8c974b8c395cb18"·id="r_a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a6680d9bd30e1f348b8c974b8c395cb18">main_control_</a></td></tr>95 <tr·class="memitem:a6680d9bd30e1f348b8c974b8c395cb18"·id="r_a6680d9bd30e1f348b8c974b8c395cb18"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d2/d34/a07814.html">MainControl</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2d/a08142.html#a6680d9bd30e1f348b8c974b8c395cb18">main_control_</a></td></tr>
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98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>98 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
99 <div·class="textblock">99 <div·class="textblock">
100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5c/a00668_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d0/d5c/a00668_source.html">modularWidgetPlugin.h</a>.</p>100 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>101 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
102 <a·id="a80d5e2eaf16eb4b66703c826a90cefe8"·name="a80d5e2eaf16eb4b66703c826a90cefe8"></a>102 <a·id="a80d5e2eaf16eb4b66703c826a90cefe8"·name="a80d5e2eaf16eb4b66703c826a90cefe8"></a>
103 <h2·class="memtitle"><span·class="permalink"><a·href="#a80d5e2eaf16eb4b66703c826a90cefe8">&#9670;&#160;</a></span>~ModularWidgetPlugin()</h2>103 <h2·class="memtitle"><span·class="permalink"><a·href="#a80d5e2eaf16eb4b66703c826a90cefe8">&#9670;&#160;</a></span>~ModularWidgetPlugin()</h2>
  
104 <div·class="memitem">104 <div·class="memitem">
105 <div·class="memproto">105 <div·class="memproto">
106 <table·class="mlabels">106 <table·class="mlabels">
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118 ··</td>118 ··</td>
119 ··<td·class="mlabels-right">119 ··<td·class="mlabels-right">
120 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>120 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
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124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5c/a00668_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d0/d5c/a00668_source.html">modularWidgetPlugin.h</a>.</p>124 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
125 </div>125 </div>
126 </div>126 </div>
127 <h2·class="groupheader">Member·Function·Documentation</h2>127 <h2·class="groupheader">Member·Function·Documentation</h2>
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129 <h2·class="memtitle"><span·class="permalink"><a·href="#a97a198c4dd8eb5349609f044281ee473">&#9670;&#160;</a></span>setMainControl()</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#a97a198c4dd8eb5349609f044281ee473">&#9670;&#160;</a></span>setMainControl()</h2>
  
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155 <dl·class="params"><dt>Parameters</dt><dd>155 <dl·class="params"><dt>Parameters</dt><dd>
156 ··<table·class="params">156 ··<table·class="params">
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161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5c/a00668_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d0/d5c/a00668_source.html">modularWidgetPlugin.h</a>.</p>161 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
162 </div>162 </div>
163 </div>163 </div>
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166 <h2·class="memtitle"><span·class="permalink"><a·href="#a6680d9bd30e1f348b8c974b8c395cb18">&#9670;&#160;</a></span>main_control_</h2>166 <h2·class="memtitle"><span·class="permalink"><a·href="#a6680d9bd30e1f348b8c974b8c395cb18">&#9670;&#160;</a></span>main_control_</h2>
  
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180 ··</td>180 ··</td>
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182 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>182 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
183 ··</tr>183 ··</tr>
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186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d5c/a00668_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d0/d5c/a00668_source.html">modularWidgetPlugin.h</a>.</p>186 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d65/a01145_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d9/d65/a01145_source.html">modularWidgetPlugin.h</a>.</p>
  
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../da/dbb/a03291.html">List·of·all·members</a>··</div>77 <a·href="../../da/dbb/a03291.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::MolecularInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::MolecularInformation·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1f/a01361_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../df/d0c/a00788_source.html">BALL/CONCEPT/molecularInformation.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::MolecularInformation:</div>83 Inheritance·diagram·for·BALL::MolecularInformation:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../df/d2e/a03294.png"·usemap="#BALL::MolecularInformation_map"·alt=""/>86 ··<img·src="../../df/d2e/a03294.png"·usemap="#BALL::MolecularInformation_map"·alt=""/>
87 ··<map·id="BALL::MolecularInformation_map"·name="BALL::MolecularInformation_map">87 ··<map·id="BALL::MolecularInformation_map"·name="BALL::MolecularInformation_map">
88 <area·href="../../de/d83/a03382.html"·alt="BALL::Visitor&lt;·Composite·&gt;"·shape="rect"·coords="0,0,168,24"/>88 <area·href="../../de/d83/a03382.html"·alt="BALL::Visitor&lt;·Composite·&gt;"·shape="rect"·coords="0,0,168,24"/>
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138 <tr·class="separator:ad970d655a2a00fbce61884aea6db0bb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:ad970d655a2a00fbce61884aea6db0bb6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a0b4d66889286194a1fec8032114b4b31"·id="r_a0b4d66889286194a1fec8032114b4b31"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;composite)</td></tr>139 <tr·class="memitem:a0b4d66889286194a1fec8032114b4b31"·id="r_a0b4d66889286194a1fec8032114b4b31"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·(<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·&amp;composite)</td></tr>
140 <tr·class="separator:a0b4d66889286194a1fec8032114b4b31"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a0b4d66889286194a1fec8032114b4b31"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../df/d2e/a03294.html">MolecularInformation</a>·class.·This·class·is·used·by·the·class·MolecularControl·to·retrieve·names·and·types·of·the·displayed·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>143 <div·class="textblock"><p><a·class="el"·href="../../df/d2e/a03294.html">MolecularInformation</a>·class.·This·class·is·used·by·the·class·MolecularControl·to·retrieve·names·and·types·of·the·displayed·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">molecularInformation.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
145 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>145 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
146 <a·id="af40ba266f020b912cc86ea07230230f4"·name="af40ba266f020b912cc86ea07230230f4"></a>146 <a·id="af40ba266f020b912cc86ea07230230f4"·name="af40ba266f020b912cc86ea07230230f4"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#af40ba266f020b912cc86ea07230230f4">&#9670;&#160;</a></span>Type</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#af40ba266f020b912cc86ea07230230f4">&#9670;&#160;</a></span>Type</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
150 ······<table·class="memname">150 ······<table·class="memname">
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175 </td></tr>175 </td></tr>
176 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"·name="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"></a>TYPE__ATOM&#160;</td><td·class="fielddoc"><p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type.·</p>176 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"·name="af40ba266f020b912cc86ea07230230f4af048922835228296c05a44b89a10f062"></a>TYPE__ATOM&#160;</td><td·class="fielddoc"><p><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·type.·</p>
177 </td></tr>177 </td></tr>
178 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"·name="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"></a>TYPE__BOND&#160;</td><td·class="fielddoc"><p><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·type.·</p>178 <tr><td·class="fieldname"><a·id="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"·name="af40ba266f020b912cc86ea07230230f4a4eafd83aef440c38016ec575325337eb"></a>TYPE__BOND&#160;</td><td·class="fielddoc"><p><a·class="el"·href="../../df/dd2/a04486.html">Bond</a>·type.·</p>
179 </td></tr>179 </td></tr>
180 </table>180 </table>
  
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">molecularInformation.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00032">32</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
182 </div>182 </div>
183 </div>183 </div>
184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>184 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
185 <a·id="a59edc93b4ab45f3aadfa51bc8cf276fa"·name="a59edc93b4ab45f3aadfa51bc8cf276fa"></a>185 <a·id="a59edc93b4ab45f3aadfa51bc8cf276fa"·name="a59edc93b4ab45f3aadfa51bc8cf276fa"></a>
186 <h2·class="memtitle"><span·class="permalink"><a·href="#a59edc93b4ab45f3aadfa51bc8cf276fa">&#9670;&#160;</a></span>MolecularInformation()</h2>186 <h2·class="memtitle"><span·class="permalink"><a·href="#a59edc93b4ab45f3aadfa51bc8cf276fa">&#9670;&#160;</a></span>MolecularInformation()</h2>
  
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276 ··</td>276 ··</td>
277 ··<td·class="mlabels-right">277 ··<td·class="mlabels-right">
278 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>278 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
279 ··</tr>279 ··</tr>
280 </table>280 </table>
281 </div><div·class="memdoc">281 </div><div·class="memdoc">
  
282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">molecularInformation.h</a>.</p>282 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
283 </div>283 </div>
284 </div>284 </div>
285 <a·id="a1227543b9f72d266d98fd1989a80c74a"·name="a1227543b9f72d266d98fd1989a80c74a"></a>285 <a·id="a1227543b9f72d266d98fd1989a80c74a"·name="a1227543b9f72d266d98fd1989a80c74a"></a>
286 <h2·class="memtitle"><span·class="permalink"><a·href="#a1227543b9f72d266d98fd1989a80c74a">&#9670;&#160;</a></span>getType()</h2>286 <h2·class="memtitle"><span·class="permalink"><a·href="#a1227543b9f72d266d98fd1989a80c74a">&#9670;&#160;</a></span>getType()</h2>
  
287 <div·class="memitem">287 <div·class="memitem">
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307 </table>307 </table>
308 </div><div·class="memdoc">308 </div><div·class="memdoc">
309 <p>Return·the·type·of·the·given·composite.·If·the·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·of·any·kind·that·is·defined·by·the·enumeration·Type·this·type·will·be·returned.·</p><dl·class="section·return"><dt>Returns</dt><dd>Type·the·type·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·</dd></dl>309 <p>Return·the·type·of·the·given·composite.·If·the·given·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·of·any·kind·that·is·defined·by·the·enumeration·Type·this·type·will·be·returned.·</p><dl·class="section·return"><dt>Returns</dt><dd>Type·the·type·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·</dd></dl>
310 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/d2e/a03294.html#af40ba266f020b912cc86ea07230230f4">Type</a>·</dd>310 <dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../df/d2e/a03294.html#af40ba266f020b912cc86ea07230230f4">Type</a>·</dd>
311 <dd>311 <dd>
312 <a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·</dd></dl>312 <a·class="el"·href="../../df/d2e/a03294.html#a0b4d66889286194a1fec8032114b4b31">visit</a>·</dd></dl>
  
313 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">molecularInformation.h</a>.</p>313 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00101">101</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
314 </div>314 </div>
315 </div>315 </div>
316 <a·id="ad970d655a2a00fbce61884aea6db0bb6"·name="ad970d655a2a00fbce61884aea6db0bb6"></a>316 <a·id="ad970d655a2a00fbce61884aea6db0bb6"·name="ad970d655a2a00fbce61884aea6db0bb6"></a>
317 <h2·class="memtitle"><span·class="permalink"><a·href="#ad970d655a2a00fbce61884aea6db0bb6">&#9670;&#160;</a></span>getTypeName()</h2>317 <h2·class="memtitle"><span·class="permalink"><a·href="#ad970d655a2a00fbce61884aea6db0bb6">&#9670;&#160;</a></span>getTypeName()</h2>
  
318 <div·class="memitem">318 <div·class="memitem">
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334 ··</td>334 ··</td>
335 ··<td·class="mlabels-right">335 ··<td·class="mlabels-right">
336 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>336 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
337 ··</tr>337 ··</tr>
338 </table>338 </table>
339 </div><div·class="memdoc">339 </div><div·class="memdoc">
  
340 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1f/a01361_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d2/d1f/a01361_source.html">molecularInformation.h</a>.</p>340 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d0c/a00788_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../df/d0c/a00788_source.html">molecularInformation.h</a>.</p>
  
341 </div>341 </div>
342 </div>342 </div>
343 <a·id="a0b4d66889286194a1fec8032114b4b31"·name="a0b4d66889286194a1fec8032114b4b31"></a>343 <a·id="a0b4d66889286194a1fec8032114b4b31"·name="a0b4d66889286194a1fec8032114b4b31"></a>
344 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b4d66889286194a1fec8032114b4b31">&#9670;&#160;</a></span>visit()</h2>344 <h2·class="memtitle"><span·class="permalink"><a·href="#a0b4d66889286194a1fec8032114b4b31">&#9670;&#160;</a></span>visit()</h2>
  
345 <div·class="memitem">345 <div·class="memitem">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="../../da/db4/a07575.html">List·of·all·members</a>··</div>78 <a·href="../../da/db4/a07575.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/d0f/a02203.html">QT·Dialogs</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::DockResultDialog:</div>84 Inheritance·diagram·for·BALL::VIEW::DockResultDialog:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d2f/a07578.png"·usemap="#BALL::VIEW::DockResultDialog_map"·alt=""/>87 ··<img·src="../../df/d2f/a07578.png"·usemap="#BALL::VIEW::DockResultDialog_map"·alt=""/>
88 ··<map·id="BALL::VIEW::DockResultDialog_map"·name="BALL::VIEW::DockResultDialog_map">88 ··<map·id="BALL::VIEW::DockResultDialog_map"·name="BALL::VIEW::DockResultDialog_map">
89 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,185,24"/>89 <area·href="../../d3/dd2/a20038.html"·alt="QDialog"·shape="rect"·coords="0,0,185,24"/>
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142 <tr·class="separator:a9081f81326c3c76c4acd9c72fb5821eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>142 <tr·class="separator:a9081f81326c3c76c4acd9c72fb5821eb"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
143 <tr·class="memitem:a2c9a13d00eb1cce88689ddbb03d726b0"·id="r_a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2f/a07578.html#a2c9a13d00eb1cce88689ddbb03d726b0">redock_</a>·()</td></tr>143 <tr·class="memitem:a2c9a13d00eb1cce88689ddbb03d726b0"·id="r_a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d2f/a07578.html#a2c9a13d00eb1cce88689ddbb03d726b0">redock_</a>·()</td></tr>
144 <tr·class="separator:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>144 <tr·class="separator:a2c9a13d00eb1cce88689ddbb03d726b0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
145 </table>145 </table>
146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>146 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
147 <div·class="textblock"><p>Dialog·for·showing·the·docking·results.·</p>147 <div·class="textblock"><p>Dialog·for·showing·the·docking·results.·</p>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">dockResultDialog.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00028">28</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>149 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
150 <a·id="a9fde6e35bd6d6a09462ddc5e01ceab39"·name="a9fde6e35bd6d6a09462ddc5e01ceab39"></a>150 <a·id="a9fde6e35bd6d6a09462ddc5e01ceab39"·name="a9fde6e35bd6d6a09462ddc5e01ceab39"></a>
151 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fde6e35bd6d6a09462ddc5e01ceab39">&#9670;&#160;</a></span>DockResultDialog()</h2>151 <h2·class="memtitle"><span·class="permalink"><a·href="#a9fde6e35bd6d6a09462ddc5e01ceab39">&#9670;&#160;</a></span>DockResultDialog()</h2>
  
152 <div·class="memitem">152 <div·class="memitem">
153 <div·class="memproto">153 <div·class="memproto">
154 ······<table·class="memname">154 ······<table·class="memname">
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;78 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
79 <a·href="../../d6/dac/a06431.html">List·of·all·members</a>··</div>79 <a·href="../../d6/dac/a06431.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Rescoring4D·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Rescoring4D·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d7/d13/a02045_source.html">BALL/SCORING/FUNCTIONS/rescoring4D.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d2c/a02012_source.html">BALL/SCORING/FUNCTIONS/rescoring4D.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Rescoring4D:</div>85 Inheritance·diagram·for·BALL::Rescoring4D:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/d30/a06434.png"·usemap="#BALL::Rescoring4D_map"·alt=""/>88 ··<img·src="../../df/d30/a06434.png"·usemap="#BALL::Rescoring4D_map"·alt=""/>
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177 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>177 <tr·class="separator:a1bd0cda391beb59bff9cbf15a1fd734b·inherit·pro_attribs_a06418"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
178 </table>178 </table>
179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>179 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
180 <div·class="textblock">180 <div·class="textblock">
181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d13/a02045_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/d13/a02045_source.html">rescoring4D.h</a>.</p>181 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d2c/a02012_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d5/d2c/a02012_source.html">rescoring4D.h</a>.</p>
182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>182 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
183 <a·id="a796c42626377c661ab355a34186e5c0e"·name="a796c42626377c661ab355a34186e5c0e"></a>183 <a·id="a796c42626377c661ab355a34186e5c0e"·name="a796c42626377c661ab355a34186e5c0e"></a>
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8 <title>BALL:·svrModel.h·File·Reference</title>8 <title>BALL:·format.doc·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
14 <script·type="text/javascript"·src="../../search/search.js"></script>14 <script·type="text/javascript"·src="../../search/search.js"></script>
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63 <div·class="SRStatus"·id="Searching">Searching...</div>63 <div·class="SRStatus"·id="Searching">Searching...</div>
64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>64 <div·class="SRStatus"·id="NoMatches">No·Matches</div>
65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath"> 
70 ··<ul> 
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul> 
72 </div> 
73 </div><!--·top·-->69 </div><!--·top·-->
74 <div·class="header">70 <div·class="header">
75 ··<div·class="summary"> 
76 <a·href="#nested-classes">Classes</a>·&#124; 
77 <a·href="#namespaces">Namespaces</a>··</div> 
78 ··<div·class="headertitle"><div·class="title">svrModel.h·File·Reference</div></div>71 ··<div·class="headertitle"><div·class="title">format.doc·File·Reference</div></div>
79 </div><!--header-->72 </div><!--header-->
80 <div·class="contents">73 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/> 
82 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/> 
83 </div> 
84 <p><a·href="../../df/d39/a00950_source.html">Go·to·the·source·code·of·this·file.</a></p> 
85 <table·class="memberdecls"> 
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a> 
87 Classes</h2></td></tr> 
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d59/a06110.html">BALL::QSAR::SVRModel</a></td></tr> 
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 </table><table·class="memberdecls"> 
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a> 
92 Namespaces</h2></td></tr> 
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr> 
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
95 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
97 </table> 
98 </div><!--·contents·-->74 </div><!--·contents·-->
99 <!--·start·footer·part·-->75 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>76 <hr·class="footer"/><address·class="footer"><small>
101 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.877 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·expressionPredicate.h·File·Reference</title>8 <title>BALL:·TRRFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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66 </div>66 </div>
67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">expressionPredicate.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">TRRFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d38/a00926_source.html">BALL/FORMAT/trajectoryFile.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d2/d4a/a00758_source.html">BALL/SYSTEM/binaryFileAdaptor.h</a>&gt;</code><br·/>
82 </div>83 </div>
83 <p><a·href="../../df/d41/a00881_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../df/d41/a00881_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">85 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>87 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/d70/a04454.html">BALL::TRRFile</a></td></tr>
 89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/df5/a04458.html">BALL::TRRFile::TRRHeader</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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91 Namespaces</h2></td></tr>94 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d4/d72/a06267.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d72/a06267.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::FragmentationalSolvation·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::FragmentationalSolvation·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d2b/a01997_source.html">BALL/SCORING/COMPONENTS/fragmentationalSolvation.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d13/a02045_source.html">BALL/SCORING/COMPONENTS/fragmentationalSolvation.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::FragmentationalSolvation:</div>84 Inheritance·diagram·for·BALL::FragmentationalSolvation:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d41/a06270.png"·usemap="#BALL::FragmentationalSolvation_map"·alt=""/>87 ··<img·src="../../df/d41/a06270.png"·usemap="#BALL::FragmentationalSolvation_map"·alt=""/>
88 ··<map·id="BALL::FragmentationalSolvation_map"·name="BALL::FragmentationalSolvation_map">88 ··<map·id="BALL::FragmentationalSolvation_map"·name="BALL::FragmentationalSolvation_map">
89 <area·href="../../d6/deb/a06362.html"·alt="BALL::Solvation"·shape="rect"·coords="0,56,191,80"/>89 <area·href="../../d6/deb/a06362.html"·alt="BALL::Solvation"·shape="rect"·coords="0,56,191,80"/>
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191 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>191 <tr·class="memitem:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"·id="r_a9766c2426e7548fb108bb6d0d8c72646"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a9766c2426e7548fb108bb6d0d8c72646">enabled_</a></td></tr>
192 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>192 <tr·class="separator:a9766c2426e7548fb108bb6d0d8c72646·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
193 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>193 <tr·class="memitem:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"·id="r_a073aa638d71ef4394ad65365344c6e64"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d3a/a06162.html#a073aa638d71ef4394ad65365344c6e64">type_name_</a></td></tr>
194 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>194 <tr·class="separator:a073aa638d71ef4394ad65365344c6e64·inherit·pro_attribs_a06162"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
195 </table>195 </table>
196 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>196 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
197 <div·class="textblock">197 <div·class="textblock">
198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d2b/a01997_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d0/d2b/a01997_source.html">fragmentationalSolvation.h</a>.</p>198 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d13/a02045_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d7/d13/a02045_source.html">fragmentationalSolvation.h</a>.</p>
199 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>199 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
200 <a·id="ac8905f7c642eb125f13aff989ded80b8"·name="ac8905f7c642eb125f13aff989ded80b8"></a>200 <a·id="ac8905f7c642eb125f13aff989ded80b8"·name="ac8905f7c642eb125f13aff989ded80b8"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8905f7c642eb125f13aff989ded80b8">&#9670;&#160;</a></span>FragmentationalSolvation()</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#ac8905f7c642eb125f13aff989ded80b8">&#9670;&#160;</a></span>FragmentationalSolvation()</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
203 <div·class="memproto">203 <div·class="memproto">
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77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d7/dd1/a05395.html">List·of·all·members</a>··</div>78 <a·href="../../d7/dd1/a05395.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Values·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Potential1210::Values·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../df/ddd/a01655_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/db1/a00140_source.html">BALL/MOLMEC/PARAMETER/potential1210.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a178eb8688d2e2b5cf7807aafaa1222c3"·id="r_a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a178eb8688d2e2b5cf7807aafaa1222c3">A</a></td></tr>86 <tr·class="memitem:a178eb8688d2e2b5cf7807aafaa1222c3"·id="r_a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a178eb8688d2e2b5cf7807aafaa1222c3">A</a></td></tr>
87 <tr·class="separator:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a178eb8688d2e2b5cf7807aafaa1222c3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a4259ba25da05074f275e8501df0ca62d"·id="r_a4259ba25da05074f275e8501df0ca62d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a4259ba25da05074f275e8501df0ca62d">B</a></td></tr>88 <tr·class="memitem:a4259ba25da05074f275e8501df0ca62d"·id="r_a4259ba25da05074f275e8501df0ca62d"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html#a4259ba25da05074f275e8501df0ca62d">B</a></td></tr>
89 <tr·class="separator:a4259ba25da05074f275e8501df0ca62d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a4259ba25da05074f275e8501df0ca62d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00035">35</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a178eb8688d2e2b5cf7807aafaa1222c3"·name="a178eb8688d2e2b5cf7807aafaa1222c3"></a>95 <a·id="a178eb8688d2e2b5cf7807aafaa1222c3"·name="a178eb8688d2e2b5cf7807aafaa1222c3"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a178eb8688d2e2b5cf7807aafaa1222c3">&#9670;&#160;</a></span>A</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a178eb8688d2e2b5cf7807aafaa1222c3">&#9670;&#160;</a></span>A</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 ······<table·class="memname">99 ······<table·class="memname">
100 ········<tr>100 ········<tr>
101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::A</td>101 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::A</td>
102 ········</tr>102 ········</tr>
103 ······</table>103 ······</table>
104 </div><div·class="memdoc">104 </div><div·class="memdoc">
  
105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>105 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00037">37</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
106 </div>106 </div>
107 </div>107 </div>
108 <a·id="a4259ba25da05074f275e8501df0ca62d"·name="a4259ba25da05074f275e8501df0ca62d"></a>108 <a·id="a4259ba25da05074f275e8501df0ca62d"·name="a4259ba25da05074f275e8501df0ca62d"></a>
109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4259ba25da05074f275e8501df0ca62d">&#9670;&#160;</a></span>B</h2>109 <h2·class="memtitle"><span·class="permalink"><a·href="#a4259ba25da05074f275e8501df0ca62d">&#9670;&#160;</a></span>B</h2>
  
110 <div·class="memitem">110 <div·class="memitem">
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118 ········<tr>118 ········<tr>
119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::B</td>119 ··········<td·class="memname"><a·class="el"·href="../../de/ded/a09238.html">float</a>·BALL::Potential1210::Values::B</td>
120 ········</tr>120 ········</tr>
121 ······</table>121 ······</table>
122 </div><div·class="memdoc">122 </div><div·class="memdoc">
  
123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/ddd/a01655_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../df/ddd/a01655_source.html">potential1210.h</a>.</p>123 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/db1/a00140_source.html#l00038">38</a>·of·file·<a·class="el"·href="../../d5/db1/a00140_source.html">potential1210.h</a>.</p>
  
124 </div>124 </div>
125 </div>125 </div>
126 </div><!--·contents·-->126 </div><!--·contents·-->
127 <!--·start·footer·part·-->127 <!--·start·footer·part·-->
128 <hr·class="footer"/><address·class="footer"><small>128 <hr·class="footer"/><address·class="footer"><small>
129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8129 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../de/d7d/a08123.html">List·of·all·members</a>··</div>78 <a·href="../../de/d7d/a08123.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueTypeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ResidueTypeColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ResidueTypeColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::ResidueTypeColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d48/a08126.png"·usemap="#BALL::VIEW::ResidueTypeColorProcessor_map"·alt=""/>87 ··<img·src="../../df/d48/a08126.png"·usemap="#BALL::VIEW::ResidueTypeColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ResidueTypeColorProcessor_map"·name="BALL::VIEW::ResidueTypeColorProcessor_map">88 ··<map·id="BALL::VIEW::ResidueTypeColorProcessor_map"·name="BALL::VIEW::ResidueTypeColorProcessor_map">
89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>89 <area·href="../../db/d56/a08042.html"·alt="BALL::VIEW::ColorProcessor"·shape="rect"·coords="0,112,364,136"/>
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236 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>236 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
237 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>237 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
238 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>238 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
239 </table>239 </table>
240 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>240 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
241 <div·class="textblock"><p>Coloring·by·the·type·of·a·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·</p>241 <div·class="textblock"><p>Coloring·by·the·type·of·a·<a·class="el"·href="../../d3/d84/a04622.html">Residue</a>·</p>
  
242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00546">546</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>242 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00546">546</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
243 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>243 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
244 <a·id="acc5ace4c92963907c48d2c7182c9b995"·name="acc5ace4c92963907c48d2c7182c9b995"></a>244 <a·id="acc5ace4c92963907c48d2c7182c9b995"·name="acc5ace4c92963907c48d2c7182c9b995"></a>
245 <h2·class="memtitle"><span·class="permalink"><a·href="#acc5ace4c92963907c48d2c7182c9b995">&#9670;&#160;</a></span>ResidueTypeColorProcessor()</h2>245 <h2·class="memtitle"><span·class="permalink"><a·href="#acc5ace4c92963907c48d2c7182c9b995">&#9670;&#160;</a></span>ResidueTypeColorProcessor()</h2>
  
246 <div·class="memitem">246 <div·class="memitem">
247 <div·class="memproto">247 <div·class="memproto">
248 ······<table·class="memname">248 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d47/a07775.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d47/a07775.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NotificationEvent·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::NotificationEvent·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d0f/a00644_source.html">BALL/VIEW/INPUT/notificationEvent.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d8e/a01331_source.html">BALL/VIEW/INPUT/notificationEvent.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::NotificationEvent:</div>84 Inheritance·diagram·for·BALL::VIEW::NotificationEvent:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d49/a07778.png"·usemap="#BALL::VIEW::NotificationEvent_map"·alt=""/>87 ··<img·src="../../df/d49/a07778.png"·usemap="#BALL::VIEW::NotificationEvent_map"·alt=""/>
88 ··<map·id="BALL::VIEW::NotificationEvent_map"·name="BALL::VIEW::NotificationEvent_map">88 ··<map·id="BALL::VIEW::NotificationEvent_map"·name="BALL::VIEW::NotificationEvent_map">
89 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,181,24"/>89 <area·href="../../d9/d25/a20102.html"·alt="QEvent"·shape="rect"·coords="0,0,181,24"/>
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100 </table>100 </table>
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102 <div·class="textblock">102 <div·class="textblock">
103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d0f/a00644_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../d9/d0f/a00644_source.html">notificationEvent.h</a>.</p>103 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d8e/a01331_source.html#l00012">12</a>·of·file·<a·class="el"·href="../../dc/d8e/a01331_source.html">notificationEvent.h</a>.</p>
104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>104 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
105 <a·id="a71ab9fc52d1ecf1e50810855015d9182"·name="a71ab9fc52d1ecf1e50810855015d9182"></a>105 <a·id="a71ab9fc52d1ecf1e50810855015d9182"·name="a71ab9fc52d1ecf1e50810855015d9182"></a>
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a71ab9fc52d1ecf1e50810855015d9182">&#9670;&#160;</a></span>NotificationEvent()</h2>106 <h2·class="memtitle"><span·class="permalink"><a·href="#a71ab9fc52d1ecf1e50810855015d9182">&#9670;&#160;</a></span>NotificationEvent()</h2>
  
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70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_af4c825f7d7e61f8b23223b3853b6eb4.html">KERNEL</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>
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73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>·&#124;77 <a·href="#namespaces">Namespaces</a>··</div>
78 <a·href="#typedef-members">Typedefs</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">fragmentIterator.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">preferencesObject.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/db2/a00869_source.html">BALL/KERNEL/iterator.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;QtCore/QObject&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d10/a01412_source.html">BALL/CONCEPT/stdIteratorWrapper.h</a>&gt;</code><br·/> 
85 </div>83 </div>
86 <p><a·href="../../df/d4c/a00851_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../df/d4c/a00851_source.html">Go·to·the·source·code·of·this·file.</a></p>
87 <table·class="memberdecls">85 <table·class="memberdecls">
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95 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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97 </table><table·class="memberdecls"> 
98 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a> 
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103 <tr·class="separator:a6f583860c6d88e71438504d3d8ae7a02"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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105 <tr·class="separator:a692d2ab81c5ab37ab94aad8db63d16f6"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTypeFormat·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTypeFormat·Struct·Reference</div></div>
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82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
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90 <tr·class="memitem:a21d0789e16f8dce2a329ccc69e88a7c6"·id="r_a21d0789e16f8dce2a329ccc69e88a7c6"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d4e/a04094.html#a21d0789e16f8dce2a329ccc69e88a7c6">format_string</a></td></tr>90 <tr·class="memitem:a21d0789e16f8dce2a329ccc69e88a7c6"·id="r_a21d0789e16f8dce2a329ccc69e88a7c6"><td·class="memItemLeft"·align="right"·valign="top">const·char·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d4e/a04094.html#a21d0789e16f8dce2a329ccc69e88a7c6">format_string</a></td></tr>
91 <tr·class="separator:a21d0789e16f8dce2a329ccc69e88a7c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a21d0789e16f8dce2a329ccc69e88a7c6"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00332">332</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00332">332</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a21d0789e16f8dce2a329ccc69e88a7c6"·name="a21d0789e16f8dce2a329ccc69e88a7c6"></a>97 <a·id="a21d0789e16f8dce2a329ccc69e88a7c6"·name="a21d0789e16f8dce2a329ccc69e88a7c6"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a21d0789e16f8dce2a329ccc69e88a7c6">&#9670;&#160;</a></span>format_string</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a21d0789e16f8dce2a329ccc69e88a7c6">&#9670;&#160;</a></span>format_string</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname">const·char*·BALL::PDB::RecordTypeFormat::format_string</td>103 ··········<td·class="memname">const·char*·BALL::PDB::RecordTypeFormat::format_string</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00337">337</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00337">337</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="ac795842e731e00f094ec8cb5e03e7754"·name="ac795842e731e00f094ec8cb5e03e7754"></a>110 <a·id="ac795842e731e00f094ec8cb5e03e7754"·name="ac795842e731e00f094ec8cb5e03e7754"></a>
111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac795842e731e00f094ec8cb5e03e7754">&#9670;&#160;</a></span>record_type</h2>111 <h2·class="memtitle"><span·class="permalink"><a·href="#ac795842e731e00f094ec8cb5e03e7754">&#9670;&#160;</a></span>record_type</h2>
  
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121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordTypeFormat::record_type</td>121 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>·BALL::PDB::RecordTypeFormat::record_type</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00335">335</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00335">335</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ad68bf740d283439a52983b83fd1c57a0"·name="ad68bf740d283439a52983b83fd1c57a0"></a>128 <a·id="ad68bf740d283439a52983b83fd1c57a0"·name="ad68bf740d283439a52983b83fd1c57a0"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad68bf740d283439a52983b83fd1c57a0">&#9670;&#160;</a></span>string</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad68bf740d283439a52983b83fd1c57a0">&#9670;&#160;</a></span>string</h2>
  
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137 ··········<td·class="memname">char·BALL::PDB::RecordTypeFormat::string[7]</td>137 ··········<td·class="memname">char·BALL::PDB::RecordTypeFormat::string[7]</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00336">336</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00336">336</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
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145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d6/d96/a08115.html">List·of·all·members</a>··</div>78 <a·href="../../d6/d96/a08115.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ForceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ForceColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ForceColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::ForceColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d4e/a08118.png"·usemap="#BALL::VIEW::ForceColorProcessor_map"·alt=""/>87 ··<img·src="../../df/d4e/a08118.png"·usemap="#BALL::VIEW::ForceColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ForceColorProcessor_map"·name="BALL::VIEW::ForceColorProcessor_map">88 ··<map·id="BALL::VIEW::ForceColorProcessor_map"·name="BALL::VIEW::ForceColorProcessor_map">
89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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270 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>270 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
271 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>271 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
272 </table>272 </table>
273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
274 <div·class="textblock"><p>Coloring·by·the·forces,·acting·on·atoms.·</p>274 <div·class="textblock"><p>Coloring·by·the·forces,·acting·on·atoms.·</p>
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00471">471</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00471">471</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
277 <a·id="a9c02d975375b920b5283208c2ead0997"·name="a9c02d975375b920b5283208c2ead0997"></a>277 <a·id="a9c02d975375b920b5283208c2ead0997"·name="a9c02d975375b920b5283208c2ead0997"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c02d975375b920b5283208c2ead0997">&#9670;&#160;</a></span>ForceColorProcessor()</h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#a9c02d975375b920b5283208c2ead0997">&#9670;&#160;</a></span>ForceColorProcessor()</h2>
  
279 <div·class="memitem">279 <div·class="memitem">
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78 <a·href="../../d9/dd4/a04279.html">List·of·all·members</a>··</div>78 <a·href="../../d9/dd4/a04279.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX1·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordORIGX1·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
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89 <tr·class="separator:a0c1423aa5577553ef8ca867326720678"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a0c1423aa5577553ef8ca867326720678"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad4e5da17d2e76ae3e10e3cefc2fc12f3"·id="r_ad4e5da17d2e76ae3e10e3cefc2fc12f3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a04282.html#ad4e5da17d2e76ae3e10e3cefc2fc12f3">transformation_matrix</a>·[4]</td></tr>90 <tr·class="memitem:ad4e5da17d2e76ae3e10e3cefc2fc12f3"·id="r_ad4e5da17d2e76ae3e10e3cefc2fc12f3"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d51/a04282.html#ad4e5da17d2e76ae3e10e3cefc2fc12f3">transformation_matrix</a>·[4]</td></tr>
91 <tr·class="separator:ad4e5da17d2e76ae3e10e3cefc2fc12f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:ad4e5da17d2e76ae3e10e3cefc2fc12f3"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l00890">890</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l00890">890</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a0c1423aa5577553ef8ca867326720678"·name="a0c1423aa5577553ef8ca867326720678"></a>97 <a·id="a0c1423aa5577553ef8ca867326720678"·name="a0c1423aa5577553ef8ca867326720678"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c1423aa5577553ef8ca867326720678">&#9670;&#160;</a></span>record_name</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a0c1423aa5577553ef8ca867326720678">&#9670;&#160;</a></span>record_name</h2>
  
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137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX1::transformation_matrix[4]</td>137 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#ad57d1b51587d016936c363a2960fe78a">Real</a>·BALL::PDB::RecordORIGX1::transformation_matrix[4]</td>
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">rescoring1D.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">forceFieldEvaluation.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d45/a02021_source.html">BALL/SCORING/FUNCTIONS/rescoring.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d4/dae/a01994_source.html">BALL/SCORING/FUNCTIONS/energeticEvaluation.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d3/d8b/a00059_source.html">BALL/MOLMEC/COMMON/forceField.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../df/d52/a02027_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/d52/a02027_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;78 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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81 ··<div·class="headertitle"><div·class="title">BALL::ScoringBaseFunction·Class·Reference</div></div>81 ··<div·class="headertitle"><div·class="title">BALL::ScoringBaseFunction·Class·Reference</div></div>
82 </div><!--header-->82 </div><!--header-->
83 <div·class="contents">83 <div·class="contents">
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d5b/a02078_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d6/d90/a01964_source.html">BALL/SCORING/COMMON/baseFunction.h</a>&gt;</code></p>
85 <div·class="dynheader">85 <div·class="dynheader">
86 Inheritance·diagram·for·BALL::ScoringBaseFunction:</div>86 Inheritance·diagram·for·BALL::ScoringBaseFunction:</div>
87 <div·class="dyncontent">87 <div·class="dyncontent">
88 ·<div·class="center">88 ·<div·class="center">
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90 ··<map·id="BALL::ScoringBaseFunction_map"·name="BALL::ScoringBaseFunction_map">90 ··<map·id="BALL::ScoringBaseFunction_map"·name="BALL::ScoringBaseFunction_map">
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128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>128 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
129 <div·class="textblock"><p>Define·the·interface·for·the·base·function·</p>129 <div·class="textblock"><p>Define·the·interface·for·the·base·function·</p>
  
130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">baseFunction.h</a>.</p>130 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00014">14</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">baseFunction.h</a>.</p>
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146 <tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"·name="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"></a>BASE_FUNCTION_TYPE__FERMI&#160;</td><td·class="fielddoc"></td></tr>146 <tr><td·class="fieldname"><a·id="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"·name="af915cd6319bfe9ec7e8a3de7d55c9a70aa1138347d0be3bb7d78e129c983bcd80"></a>BASE_FUNCTION_TYPE__FERMI&#160;</td><td·class="fielddoc"></td></tr>
147 </table>147 </table>
  
148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d5b/a02078_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d5b/a02078_source.html">baseFunction.h</a>.</p>148 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/d90/a01964_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d6/d90/a01964_source.html">baseFunction.h</a>.</p>
  
149 </div>149 </div>
150 </div>150 </div>
151 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>151 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
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367 ··</td>367 ··</td>
368 ··<td·class="mlabels-right">368 ··<td·class="mlabels-right">
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391 ··</td>391 ··</td>
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396 </div><div·class="memdoc">396 </div><div·class="memdoc">
  
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_4c9860210dc43a38c7f33d87c08ab746.html">KERNEL</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">regressionModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">editOperation.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../de/d91/a01034_source.html">BALL/QSAR/Model.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d48/a00995_source.html">BALL/QSAR/regressionValidation.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;fstream&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../df/d59/a01001_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/d59/a01001_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
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93 Namespaces</h2></td></tr>91 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr>94 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8100 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthReducer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TreeWidthImplementation&lt;·UndirectedGraph·&gt;::MinorMinWidthReducer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/d44/a00098_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../db/d7c/a00722_source.html">BALL/DATATYPE/GRAPH/treeWidth.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
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86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
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88 <tr·class="separator:a0fffed571c992d0ba10a29f48a8d148e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:a0fffed571c992d0ba10a29f48a8d148e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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108 <dl·class="exception"><dt>Exceptions</dt><dd>108 <dl·class="exception"><dt>Exceptions</dt><dd>
109 ··<table·class="exception">109 ··<table·class="exception">
110 ····<tr><td·class="paramname"><a·class="el"·href="../../d8/d75/a03426.html">BALL::GRAPH::UnconnectedGraphException</a></td><td>if·called·on·unconnected·graphs·</td></tr>110 ····<tr><td·class="paramname"><a·class="el"·href="../../d8/d75/a03426.html">BALL::GRAPH::UnconnectedGraphException</a></td><td>if·called·on·unconnected·graphs·</td></tr>
111 ··</table>111 ··</table>
112 ··</dd>112 ··</dd>
113 </dl>113 </dl>
  
114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00219">219</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>114 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00219">219</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
115 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>115 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
116 <a·id="a0fffed571c992d0ba10a29f48a8d148e"·name="a0fffed571c992d0ba10a29f48a8d148e"></a>116 <a·id="a0fffed571c992d0ba10a29f48a8d148e"·name="a0fffed571c992d0ba10a29f48a8d148e"></a>
117 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fffed571c992d0ba10a29f48a8d148e">&#9670;&#160;</a></span>MinorMinWidthReducer()</h2>117 <h2·class="memtitle"><span·class="permalink"><a·href="#a0fffed571c992d0ba10a29f48a8d148e">&#9670;&#160;</a></span>MinorMinWidthReducer()</h2>
  
118 <div·class="memitem">118 <div·class="memitem">
119 <div·class="memproto">119 <div·class="memproto">
120 <div·class="memtemplate">120 <div·class="memtemplate">
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204 ··</td>204 ··</td>
205 ··<td·class="mlabels-right">205 ··<td·class="mlabels-right">
206 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>206 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
207 ··</tr>207 ··</tr>
208 </table>208 </table>
209 </div><div·class="memdoc">209 </div><div·class="memdoc">
  
210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d44/a00098_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../d1/d44/a00098_source.html">treeWidth.h</a>.</p>210 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/d7c/a00722_source.html#l00228">228</a>·of·file·<a·class="el"·href="../../db/d7c/a00722_source.html">treeWidth.h</a>.</p>
  
211 </div>211 </div>
212 </div>212 </div>
213 </div><!--·contents·-->213 </div><!--·contents·-->
214 <!--·start·footer·part·-->214 <!--·start·footer·part·-->
215 <hr·class="footer"/><address·class="footer"><small>215 <hr·class="footer"/><address·class="footer"><small>
216 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8216 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d4/d34/a04979.html">List·of·all·members</a>··</div>79 <a·href="../../d4/d34/a04979.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementPredicate·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::GAFFCESParser::CESelementPredicate·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d1a/a01559_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d16/a00029_source.html">BALL/MOLMEC/AMBER/GAFFCESParser.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementPredicate:</div>85 Inheritance·diagram·for·BALL::GAFFCESParser::CESelementPredicate:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/d5e/a04982.png"·usemap="#BALL::GAFFCESParser::CESelementPredicate_map"·alt=""/>88 ··<img·src="../../df/d5e/a04982.png"·usemap="#BALL::GAFFCESParser::CESelementPredicate_map"·alt=""/>
89 ··<map·id="BALL::GAFFCESParser::CESelementPredicate_map"·name="BALL::GAFFCESParser::CESelementPredicate_map">89 ··<map·id="BALL::GAFFCESParser::CESelementPredicate_map"·name="BALL::GAFFCESParser::CESelementPredicate_map">
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168 <tr·class="separator:a8dd031d1d6e6954337202132cce4dc9e·inherit·pub_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>168 <tr·class="separator:a8dd031d1d6e6954337202132cce4dc9e·inherit·pub_attribs_a04974"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
169 </table>169 </table>
170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>170 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
171 <div·class="textblock">171 <div·class="textblock">
172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>172 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00213">213</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>173 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
174 <a·id="a6161e3789c8d8fbf841664a1f92b1b07"·name="a6161e3789c8d8fbf841664a1f92b1b07"></a>174 <a·id="a6161e3789c8d8fbf841664a1f92b1b07"·name="a6161e3789c8d8fbf841664a1f92b1b07"></a>
175 <h2·class="memtitle"><span·class="permalink"><a·href="#a6161e3789c8d8fbf841664a1f92b1b07">&#9670;&#160;</a></span>CESelementPredicate()</h2>175 <h2·class="memtitle"><span·class="permalink"><a·href="#a6161e3789c8d8fbf841664a1f92b1b07">&#9670;&#160;</a></span>CESelementPredicate()</h2>
  
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191 ··</td>191 ··</td>
192 ··<td·class="mlabels-right">192 ··<td·class="mlabels-right">
193 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>193 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
194 ··</tr>194 ··</tr>
195 </table>195 </table>
196 </div><div·class="memdoc">196 </div><div·class="memdoc">
  
197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>197 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00216">216</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
198 </div>198 </div>
199 </div>199 </div>
200 <a·id="a90a16b25e8cf69b369a39d117ac380ff"·name="a90a16b25e8cf69b369a39d117ac380ff"></a>200 <a·id="a90a16b25e8cf69b369a39d117ac380ff"·name="a90a16b25e8cf69b369a39d117ac380ff"></a>
201 <h2·class="memtitle"><span·class="permalink"><a·href="#a90a16b25e8cf69b369a39d117ac380ff">&#9670;&#160;</a></span>~CESelementPredicate()</h2>201 <h2·class="memtitle"><span·class="permalink"><a·href="#a90a16b25e8cf69b369a39d117ac380ff">&#9670;&#160;</a></span>~CESelementPredicate()</h2>
  
202 <div·class="memitem">202 <div·class="memitem">
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297 ··</td>297 ··</td>
298 ··<td·class="mlabels-right">298 ··<td·class="mlabels-right">
299 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>299 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
300 ··</tr>300 ··</tr>
301 </table>301 </table>
302 </div><div·class="memdoc">302 </div><div·class="memdoc">
  
303 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>303 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00229">229</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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306 </div><!--·contents·-->306 </div><!--·contents·-->
307 <!--·start·footer·part·-->307 <!--·start·footer·part·-->
308 <hr·class="footer"/><address·class="footer"><small>308 <hr·class="footer"/><address·class="footer"><small>
309 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8309 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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80 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfMemory·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfMemory·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::Exception::OutOfMemory:</div>85 Inheritance·diagram·for·BALL::Exception::OutOfMemory:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/d64/a03110.png"·usemap="#BALL::Exception::OutOfMemory_map"·alt=""/>88 ··<img·src="../../df/d64/a03110.png"·usemap="#BALL::Exception::OutOfMemory_map"·alt=""/>
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149 ··<table·class="params">149 ··<table·class="params">
150 ····<tr><td·class="paramname">size</td><td>the·number·of·bytes·that·should·have·been·allocated·</td></tr>150 ····<tr><td·class="paramname">size</td><td>the·number·of·bytes·that·should·have·been·allocated·</td></tr>
151 ··</table>151 ··</table>
152 ··</dd>152 ··</dd>
153 </dl>153 </dl>
154 <dl·class="section·see"><dt>See·also</dt><dd>GlobalException::newHandler·</dd></dl>154 <dl·class="section·see"><dt>See·also</dt><dd>GlobalException::newHandler·</dd></dl>
  
155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>155 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00316">316</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>156 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
157 <a·id="a2356b21d06dcadea10dcbe40604fcd00"·name="a2356b21d06dcadea10dcbe40604fcd00"></a>157 <a·id="a2356b21d06dcadea10dcbe40604fcd00"·name="a2356b21d06dcadea10dcbe40604fcd00"></a>
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159 <div·class="memitem">159 <div·class="memitem">
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237 ··</td>237 ··</td>
238 ··<td·class="mlabels-right">238 ··<td·class="mlabels-right">
239 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>239 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
240 ··</tr>240 ··</tr>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_5c967495aa3d14391790786d0b5f5c62.html">CONCEPT</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_c4daa577bf6e2853dd8aa8fc14cbc40b.html">PRIMITIVES</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">autoDeletable.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">disc.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;BALL/CONFIG/config.h&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../df/dbc/a01004_source.html">BALL/VIEW/KERNEL/geometricObject.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dc/d19/a01190_source.html">BALL/COMMON/debug.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../db/dc3/a00284_source.html">BALL/MATHS/circle3.h</a>&gt;</code><br·/>
83 <code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;cstdlib&gt;</code><br·/> 
85 <code>#include·&lt;new&gt;</code><br·/> 
86 <code>#include·&lt;iostream&gt;</code><br·/> 
87 <code>#include·&lt;BALL/CONCEPT/autoDeletable.iC&gt;</code><br·/> 
88 </div>83 </div>
89 <p><a·href="../../df/d68/a01385_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../df/d68/a01385_source.html">Go·to·the·source·code·of·this·file.</a></p>
90 <table·class="memberdecls">85 <table·class="memberdecls">
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92 Classes</h2></td></tr>87 Classes</h2></td></tr>
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97 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
98 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 95 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr>
 96 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::PosePointer·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PoseClustering::PosePointer·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../dc/dee/a01166_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d5/d10/a01571_source.html">BALL/DOCKING/COMMON/poseClustering.h</a>&gt;</code></p>
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86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
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90 <tr·class="separator:af04282b6df21710551ec757d89fc5fef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:af04282b6df21710551ec757d89fc5fef"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>100 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
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138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>138 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00214">214</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
139 </div>139 </div>
140 </div>140 </div>
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183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/dee/a01166_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../dc/dee/a01166_source.html">poseClustering.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d10/a01571_source.html#l00225">225</a>·of·file·<a·class="el"·href="../../d5/d10/a01571_source.html">poseClustering.h</a>.</p>
  
184 </div>184 </div>
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79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PubChemDialog::ParsedResult_·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PubChemDialog::ParsedResult_·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d21/a00584_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d2/d1d/a01277_source.html">BALL/VIEW/DIALOGS/pubchemDialog.h</a>&gt;</code></p>
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96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
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98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a9b23b88f50304892acd9f3f792bfe2">&#9670;&#160;</a></span>description</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a8a9b23b88f50304892acd9f3f792bfe2">&#9670;&#160;</a></span>description</h2>
  
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101 ······<table·class="memname">101 ······<table·class="memname">
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103 ··········<td·class="memname">QString·BALL::VIEW::PubChemDialog::ParsedResult_::description</td>103 ··········<td·class="memname">QString·BALL::VIEW::PubChemDialog::ParsedResult_::description</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">pubchemDialog.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00099">99</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">pubchemDialog.h</a>.</p>
  
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121 ··········<td·class="memname">QString·BALL::VIEW::PubChemDialog::ParsedResult_::name</td>121 ··········<td·class="memname">QString·BALL::VIEW::PubChemDialog::ParsedResult_::name</td>
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125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">pubchemDialog.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">pubchemDialog.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ae263d4f78cfb1e409fe566f7b227e003"·name="ae263d4f78cfb1e409fe566f7b227e003"></a>128 <a·id="ae263d4f78cfb1e409fe566f7b227e003"·name="ae263d4f78cfb1e409fe566f7b227e003"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae263d4f78cfb1e409fe566f7b227e003">&#9670;&#160;</a></span>smiles</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ae263d4f78cfb1e409fe566f7b227e003">&#9670;&#160;</a></span>smiles</h2>
  
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136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::PubChemDialog::ParsedResult_::smiles</td>137 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::VIEW::PubChemDialog::ParsedResult_::smiles</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d21/a00584_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d7/d21/a00584_source.html">pubchemDialog.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d2/d1d/a01277_source.html#l00100">100</a>·of·file·<a·class="el"·href="../../d2/d1d/a01277_source.html">pubchemDialog.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d2/dfc/a04007.html">List·of·all·members</a>··</div>77 <a·href="../../d2/dfc/a04007.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::MOPACOutputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::MOPACOutputFile·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d6/d3b/a02121.html">Molecular·Modeling</a>·&raquo;·<a·class="el"·href="../../de/d81/a02140.html">File·Formats</a>·&raquo;·<a·class="el"·href="../../d5/d88/a02141.html">Molecular·structure·file·formats</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../dd/d9e/a01226_source.html">BALL/FORMAT/MOPACOutputFile.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d8/dbb/a00932_source.html">BALL/FORMAT/MOPACOutputFile.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::MOPACOutputFile:</div>83 Inheritance·diagram·for·BALL::MOPACOutputFile:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../df/d75/a04010.png"·usemap="#BALL::MOPACOutputFile_map"·alt=""/>86 ··<img·src="../../df/d75/a04010.png"·usemap="#BALL::MOPACOutputFile_map"·alt=""/>
87 ··<map·id="BALL::MOPACOutputFile_map"·name="BALL::MOPACOutputFile_map">87 ··<map·id="BALL::MOPACOutputFile_map"·name="BALL::MOPACOutputFile_map">
88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>88 <area·href="../../d0/d0b/a03910.html"·alt="BALL::GenericMolFile"·shape="rect"·coords="90,448,260,472"/>
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394 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>394 <tr·class="memitem:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"·id="r_a44264c85466c8b9b14431c06bc2c1be4"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d42/a07350.html#a44264c85466c8b9b14431c06bc2c1be4">transformation_methods_</a></td></tr>
395 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>395 <tr·class="separator:a44264c85466c8b9b14431c06bc2c1be4·inherit·pro_static_attribs_a07350"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
396 </table>396 </table>
397 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>397 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
398 <div·class="textblock"><p>MOPAC·output·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·output·files.·<br··/>398 <div·class="textblock"><p>MOPAC·output·file·class.·This·class·enables·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·to·read·and·write·MOPAC·output·files.·<br··/>
399 ·</p>399 ·</p>
  
400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d9e/a01226_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../dd/d9e/a01226_source.html">MOPACOutputFile.h</a>.</p>400 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>401 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
402 <a·id="a3d0293e9e070e596cb8ffb997e715cc3"·name="a3d0293e9e070e596cb8ffb997e715cc3"></a>402 <a·id="a3d0293e9e070e596cb8ffb997e715cc3"·name="a3d0293e9e070e596cb8ffb997e715cc3"></a>
403 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d0293e9e070e596cb8ffb997e715cc3">&#9670;&#160;</a></span>MOPACOutputFile()·<span·class="overload">[1/2]</span></h2>403 <h2·class="memtitle"><span·class="permalink"><a·href="#a3d0293e9e070e596cb8ffb997e715cc3">&#9670;&#160;</a></span>MOPACOutputFile()·<span·class="overload">[1/2]</span></h2>
  
404 <div·class="memitem">404 <div·class="memitem">
405 <div·class="memproto">405 <div·class="memproto">
406 ······<table·class="memname">406 ······<table·class="memname">
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626 ··</td>626 ··</td>
627 ··<td·class="mlabels-right">627 ··<td·class="mlabels-right">
628 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>628 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
629 ··</tr>629 ··</tr>
630 </table>630 </table>
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632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d9e/a01226_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../dd/d9e/a01226_source.html">MOPACOutputFile.h</a>.</p>632 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00087">87</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
  
633 </div>633 </div>
634 </div>634 </div>
635 <a·id="a789d2b28bd4ebe580f8b9cfa9b536d3b"·name="a789d2b28bd4ebe580f8b9cfa9b536d3b"></a>635 <a·id="a789d2b28bd4ebe580f8b9cfa9b536d3b"·name="a789d2b28bd4ebe580f8b9cfa9b536d3b"></a>
636 <h2·class="memtitle"><span·class="permalink"><a·href="#a789d2b28bd4ebe580f8b9cfa9b536d3b">&#9670;&#160;</a></span>type_counts_</h2>636 <h2·class="memtitle"><span·class="permalink"><a·href="#a789d2b28bd4ebe580f8b9cfa9b536d3b">&#9670;&#160;</a></span>type_counts_</h2>
  
637 <div·class="memitem">637 <div·class="memitem">
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650 ··</td>650 ··</td>
651 ··<td·class="mlabels-right">651 ··<td·class="mlabels-right">
652 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>652 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
653 ··</tr>653 ··</tr>
654 </table>654 </table>
655 </div><div·class="memdoc">655 </div><div·class="memdoc">
  
656 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d9e/a01226_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../dd/d9e/a01226_source.html">MOPACOutputFile.h</a>.</p>656 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dbb/a00932_source.html#l00088">88</a>·of·file·<a·class="el"·href="../../d8/dbb/a00932_source.html">MOPACOutputFile.h</a>.</p>
  
657 </div>657 </div>
658 </div>658 </div>
659 </div><!--·contents·-->659 </div><!--·contents·-->
660 <!--·start·footer·part·-->660 <!--·start·footer·part·-->
661 <hr·class="footer"/><address·class="footer"><small>661 <hr·class="footer"/><address·class="footer"><small>
662 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8662 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../dd/da2/a03723.html">List·of·all·members</a>··</div>78 <a·href="../../dd/da2/a03723.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::StaticLigandFragment::Connection·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::StaticLigandFragment::Connection·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d25/a01157_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d3/da5/a01598_source.html">BALL/DOCKING/COMMON/staticLigandFragment.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a52871fe791fe87ea1e891cfa78d2523c"·id="r_a52871fe791fe87ea1e891cfa78d2523c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a52871fe791fe87ea1e891cfa78d2523c">atom</a></td></tr>86 <tr·class="memitem:a52871fe791fe87ea1e891cfa78d2523c"·id="r_a52871fe791fe87ea1e891cfa78d2523c"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a52871fe791fe87ea1e891cfa78d2523c">atom</a></td></tr>
87 <tr·class="separator:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a52871fe791fe87ea1e891cfa78d2523c"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:ab3b3f631d65ee1175f89b972f8bb3c5a"·id="r_ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#ab3b3f631d65ee1175f89b972f8bb3c5a">neighbor_atom</a></td></tr>88 <tr·class="memitem:ab3b3f631d65ee1175f89b972f8bb3c5a"·id="r_ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#ab3b3f631d65ee1175f89b972f8bb3c5a">neighbor_atom</a></td></tr>
89 <tr·class="separator:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ab3b3f631d65ee1175f89b972f8bb3c5a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a355aa5207729722d03be602491ed59c5"·id="r_a355aa5207729722d03be602491ed59c5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a355aa5207729722d03be602491ed59c5">fragment</a></td></tr>90 <tr·class="memitem:a355aa5207729722d03be602491ed59c5"·id="r_a355aa5207729722d03be602491ed59c5"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d76/a03726.html#a355aa5207729722d03be602491ed59c5">fragment</a></td></tr>
91 <tr·class="separator:a355aa5207729722d03be602491ed59c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a355aa5207729722d03be602491ed59c5"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p>rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·around·given·axis·(--&gt;·bond·between·two·fragments)·rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·according·to·a·given·transformation·matrix·A·<a·class="el"·href="../../df/d76/a03726.html">Connection</a>·represent·a·single·rotatable·bond·which·connects·two·StaticLigandFragments·</p>94 <div·class="textblock"><p>rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·around·given·axis·(--&gt;·bond·between·two·fragments)·rotates·the·current·and·all·connected·ligand·fragments·(except·static_fragment)·according·to·a·given·transformation·matrix·A·<a·class="el"·href="../../df/d76/a03726.html">Connection</a>·represent·a·single·rotatable·bond·which·connects·two·StaticLigandFragments·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">staticLigandFragment.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a52871fe791fe87ea1e891cfa78d2523c"·name="a52871fe791fe87ea1e891cfa78d2523c"></a>97 <a·id="a52871fe791fe87ea1e891cfa78d2523c"·name="a52871fe791fe87ea1e891cfa78d2523c"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a52871fe791fe87ea1e891cfa78d2523c">&#9670;&#160;</a></span>atom</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a52871fe791fe87ea1e891cfa78d2523c">&#9670;&#160;</a></span>atom</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
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103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::atom</td>103 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::atom</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
107 <p>atom·of·<em>this</em>·fragment·that·is·part·of·this·intra-fragment·bond·</p>107 <p>atom·of·<em>this</em>·fragment·that·is·part·of·this·intra-fragment·bond·</p>
  
108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">staticLigandFragment.h</a>.</p>108 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00053">53</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
109 </div>109 </div>
110 </div>110 </div>
111 <a·id="a355aa5207729722d03be602491ed59c5"·name="a355aa5207729722d03be602491ed59c5"></a>111 <a·id="a355aa5207729722d03be602491ed59c5"·name="a355aa5207729722d03be602491ed59c5"></a>
112 <h2·class="memtitle"><span·class="permalink"><a·href="#a355aa5207729722d03be602491ed59c5">&#9670;&#160;</a></span>fragment</h2>112 <h2·class="memtitle"><span·class="permalink"><a·href="#a355aa5207729722d03be602491ed59c5">&#9670;&#160;</a></span>fragment</h2>
  
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122 ········<tr>122 ········<tr>
123 ··········<td·class="memname"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>*·BALL::StaticLigandFragment::Connection::fragment</td>123 ··········<td·class="memname"><a·class="el"·href="../../db/db0/a03722.html">StaticLigandFragment</a>*·BALL::StaticLigandFragment::Connection::fragment</td>
124 ········</tr>124 ········</tr>
125 ······</table>125 ······</table>
126 </div><div·class="memdoc">126 </div><div·class="memdoc">
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">staticLigandFragment.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00058">58</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
128 </div>128 </div>
129 </div>129 </div>
130 <a·id="ab3b3f631d65ee1175f89b972f8bb3c5a"·name="ab3b3f631d65ee1175f89b972f8bb3c5a"></a>130 <a·id="ab3b3f631d65ee1175f89b972f8bb3c5a"·name="ab3b3f631d65ee1175f89b972f8bb3c5a"></a>
131 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b3f631d65ee1175f89b972f8bb3c5a">&#9670;&#160;</a></span>neighbor_atom</h2>131 <h2·class="memtitle"><span·class="permalink"><a·href="#ab3b3f631d65ee1175f89b972f8bb3c5a">&#9670;&#160;</a></span>neighbor_atom</h2>
  
132 <div·class="memitem">132 <div·class="memitem">
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139 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::neighbor_atom</td>139 ··········<td·class="memname"><a·class="el"·href="../../dd/d3c/a04466.html">Atom</a>*·BALL::StaticLigandFragment::Connection::neighbor_atom</td>
140 ········</tr>140 ········</tr>
141 ······</table>141 ······</table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
143 <p>atom·of·the·neighbor·fragment·that·is·part·of·this·intra-fragment·bond·</p>143 <p>atom·of·the·neighbor·fragment·that·is·part·of·this·intra-fragment·bond·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d25/a01157_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d9/d25/a01157_source.html">staticLigandFragment.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/da5/a01598_source.html#l00056">56</a>·of·file·<a·class="el"·href="../../d3/da5/a01598_source.html">staticLigandFragment.h</a>.</p>
  
145 </div>145 </div>
146 </div>146 </div>
147 </div><!--·contents·-->147 </div><!--·contents·-->
148 <!--·start·footer·part·-->148 <!--·start·footer·part·-->
149 <hr·class="footer"/><address·class="footer"><small>149 <hr·class="footer"/><address·class="footer"><small>
150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8150 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d98/a08547.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d98/a08547.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableModel·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::ShortcutTableModel·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../de/d55/a00323_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/de4/a01121_source.html">BALL/VIEW/WIDGETS/shortcutTableView.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::ShortcutTableModel:</div>84 Inheritance·diagram·for·BALL::VIEW::ShortcutTableModel:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d7b/a08550.png"·usemap="#BALL::VIEW::ShortcutTableModel_map"·alt=""/>87 ··<img·src="../../df/d7b/a08550.png"·usemap="#BALL::VIEW::ShortcutTableModel_map"·alt=""/>
88 ··<map·id="BALL::VIEW::ShortcutTableModel_map"·name="BALL::VIEW::ShortcutTableModel_map">88 ··<map·id="BALL::VIEW::ShortcutTableModel_map"·name="BALL::VIEW::ShortcutTableModel_map">
89 <area·href="../../d7/dff/a20298.html"·alt="QAbstractTableModel"·shape="rect"·coords="0,0,199,24"/>89 <area·href="../../d7/dff/a20298.html"·alt="QAbstractTableModel"·shape="rect"·coords="0,0,199,24"/>
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108 <tr·class="memitem:ae6963a6313be63f4af247495daaad4f0"·id="r_ae6963a6313be63f4af247495daaad4f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#ae6963a6313be63f4af247495daaad4f0">isValid</a>·(const·QKeySequence·&amp;seq)·const</td></tr>108 <tr·class="memitem:ae6963a6313be63f4af247495daaad4f0"·id="r_ae6963a6313be63f4af247495daaad4f0"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#ae6963a6313be63f4af247495daaad4f0">isValid</a>·(const·QKeySequence·&amp;seq)·const</td></tr>
109 <tr·class="separator:ae6963a6313be63f4af247495daaad4f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>109 <tr·class="separator:ae6963a6313be63f4af247495daaad4f0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
110 <tr·class="memitem:a9e6b0284942894a71f43f98b933856e2"·id="r_a9e6b0284942894a71f43f98b933856e2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#a9e6b0284942894a71f43f98b933856e2">setData</a>·(const·QModelIndex·&amp;index,·const·QVariant·&amp;<a·class="el"·href="../../df/d7b/a08550.html#a50de169d13f4e93b3aa30526a53f36b9">data</a>,·int·role=Qt::EditRole)</td></tr>110 <tr·class="memitem:a9e6b0284942894a71f43f98b933856e2"·id="r_a9e6b0284942894a71f43f98b933856e2"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7b/a08550.html#a9e6b0284942894a71f43f98b933856e2">setData</a>·(const·QModelIndex·&amp;index,·const·QVariant·&amp;<a·class="el"·href="../../df/d7b/a08550.html#a50de169d13f4e93b3aa30526a53f36b9">data</a>,·int·role=Qt::EditRole)</td></tr>
111 <tr·class="separator:a9e6b0284942894a71f43f98b933856e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>111 <tr·class="separator:a9e6b0284942894a71f43f98b933856e2"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
112 </table>112 </table>
113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>113 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
114 <div·class="textblock">114 <div·class="textblock">
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d55/a00323_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../de/d55/a00323_source.html">shortcutTableView.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/de4/a01121_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../dd/de4/a01121_source.html">shortcutTableView.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="ad7c63a3e6ed2eb24a0d58c00f621829f"·name="ad7c63a3e6ed2eb24a0d58c00f621829f"></a>117 <a·id="ad7c63a3e6ed2eb24a0d58c00f621829f"·name="ad7c63a3e6ed2eb24a0d58c00f621829f"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7c63a3e6ed2eb24a0d58c00f621829f">&#9670;&#160;</a></span>ShortcutTableModel()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#ad7c63a3e6ed2eb24a0d58c00f621829f">&#9670;&#160;</a></span>ShortcutTableModel()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
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77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d0/d64/a06535.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d64/a06535.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PairExpRDFIntegrator::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d41/a00038_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d1/db0/a01928_source.html">BALL/SOLVATION/pairExpRDFIntegrator.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a11f68dd14acff99c12b8c0d0f25b5c5b"·id="r_a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a11f68dd14acff99c12b8c0d0f25b5c5b">VERBOSITY</a></td></tr>86 <tr·class="memitem:a11f68dd14acff99c12b8c0d0f25b5c5b"·id="r_a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a11f68dd14acff99c12b8c0d0f25b5c5b">VERBOSITY</a></td></tr>
87 <tr·class="separator:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a11f68dd14acff99c12b8c0d0f25b5c5b"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a826a5af5b5c454e54f7e2bd5e7a4389e"·id="r_a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a826a5af5b5c454e54f7e2bd5e7a4389e">SAMPLES</a></td></tr>88 <tr·class="memitem:a826a5af5b5c454e54f7e2bd5e7a4389e"·id="r_a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memItemLeft"·align="right"·valign="top">static·const·int&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7e/a06538.html#a826a5af5b5c454e54f7e2bd5e7a4389e">SAMPLES</a></td></tr>
89 <tr·class="separator:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a826a5af5b5c454e54f7e2bd5e7a4389e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table>90 </table>
91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>91 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
92 <div·class="textblock">92 <div·class="textblock">
93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">pairExpRDFIntegrator.h</a>.</p>93 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00065">65</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
94 </div><h2·class="groupheader">Member·Data·Documentation</h2>94 </div><h2·class="groupheader">Member·Data·Documentation</h2>
95 <a·id="a826a5af5b5c454e54f7e2bd5e7a4389e"·name="a826a5af5b5c454e54f7e2bd5e7a4389e"></a>95 <a·id="a826a5af5b5c454e54f7e2bd5e7a4389e"·name="a826a5af5b5c454e54f7e2bd5e7a4389e"></a>
96 <h2·class="memtitle"><span·class="permalink"><a·href="#a826a5af5b5c454e54f7e2bd5e7a4389e">&#9670;&#160;</a></span>SAMPLES</h2>96 <h2·class="memtitle"><span·class="permalink"><a·href="#a826a5af5b5c454e54f7e2bd5e7a4389e">&#9670;&#160;</a></span>SAMPLES</h2>
  
97 <div·class="memitem">97 <div·class="memitem">
98 <div·class="memproto">98 <div·class="memproto">
99 <table·class="mlabels">99 <table·class="mlabels">
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110 ··<td·class="mlabels-right">110 ··<td·class="mlabels-right">
111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>111 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
112 ··</tr>112 ··</tr>
113 </table>113 </table>
114 </div><div·class="memdoc">114 </div><div·class="memdoc">
115 <p><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·number·of·samples·to·use·in·numerical·integration·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#adb89e899012b5c4942cd5f4d769a1c19">Option::SAMPLES</a>·</dd></dl>115 <p><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·number·of·samples·to·use·in·numerical·integration·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#adb89e899012b5c4942cd5f4d769a1c19">Option::SAMPLES</a>·</dd></dl>
  
116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">pairExpRDFIntegrator.h</a>.</p>116 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
117 </div>117 </div>
118 </div>118 </div>
119 <a·id="a11f68dd14acff99c12b8c0d0f25b5c5b"·name="a11f68dd14acff99c12b8c0d0f25b5c5b"></a>119 <a·id="a11f68dd14acff99c12b8c0d0f25b5c5b"·name="a11f68dd14acff99c12b8c0d0f25b5c5b"></a>
120 <h2·class="memtitle"><span·class="permalink"><a·href="#a11f68dd14acff99c12b8c0d0f25b5c5b">&#9670;&#160;</a></span>VERBOSITY</h2>120 <h2·class="memtitle"><span·class="permalink"><a·href="#a11f68dd14acff99c12b8c0d0f25b5c5b">&#9670;&#160;</a></span>VERBOSITY</h2>
  
121 <div·class="memitem">121 <div·class="memitem">
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135 ··<td·class="mlabels-right">135 ··<td·class="mlabels-right">
136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>136 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
137 ··</tr>137 ··</tr>
138 </table>138 </table>
139 </div><div·class="memdoc">139 </div><div·class="memdoc">
140 <p><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">Option::VERBOSITY</a>·</dd></dl>140 <p><a·class="el"·href="../../df/d7e/a06538.html">Default</a>·verbosity·level.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d3/d8f/a06534.html#a06f2a4680e4fb824a21eede8162a3e62">Option::VERBOSITY</a>·</dd></dl>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d41/a00038_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d8/d41/a00038_source.html">pairExpRDFIntegrator.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/db0/a01928_source.html#l00070">70</a>·of·file·<a·class="el"·href="../../d1/db0/a01928_source.html">pairExpRDFIntegrator.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 </div><!--·contents·-->144 </div><!--·contents·-->
145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8147 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="../../d0/dbf/a03363.html">List·of·all·members</a>··</div>77 <a·href="../../d0/dbf/a03363.html">List·of·all·members</a>··</div>
78 ··<div·class="headertitle"><div·class="title">BALL::Selectable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>78 ··<div·class="headertitle"><div·class="title">BALL::Selectable·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../db/d6c/a02130.html">Miscellaneous</a></div></div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
  
81 <p><code>#include·&lt;<a·class="el"·href="../../d4/d20/a01421_source.html">BALL/CONCEPT/selectable.h</a>&gt;</code></p>81 <p><code>#include·&lt;<a·class="el"·href="../../d0/dad/a00806_source.html">BALL/CONCEPT/selectable.h</a>&gt;</code></p>
82 <div·class="dynheader">82 <div·class="dynheader">
83 Inheritance·diagram·for·BALL::Selectable:</div>83 Inheritance·diagram·for·BALL::Selectable:</div>
84 <div·class="dyncontent">84 <div·class="dyncontent">
85 ·<div·class="center">85 ·<div·class="center">
86 ··<img·src="../../df/d7f/a03366.png"·usemap="#BALL::Selectable_map"·alt=""/>86 ··<img·src="../../df/d7f/a03366.png"·usemap="#BALL::Selectable_map"·alt=""/>
87 ··<map·id="BALL::Selectable_map"·name="BALL::Selectable_map">87 ··<map·id="BALL::Selectable_map"·name="BALL::Selectable_map">
88 <area·href="../../d8/deb/a03246.html"·alt="BALL::Composite"·shape="rect"·coords="368,56,542,80"/>88 <area·href="../../d8/deb/a03246.html"·alt="BALL::Composite"·shape="rect"·coords="368,56,542,80"/>
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147 <tr·class="separator:a69acf0316e7a9e32b02c23212404b438"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:a69acf0316e7a9e32b02c23212404b438"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 </table>148 </table>
149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock"><p><a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·Concept.·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·implements·the·ability·of·objects·to·be·selected.·It·is·used·in·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·to·mark·parts·of·the·kernel·objects·for·special·operations.·In·principle,·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·provides·a·boolean·flag·and·defines·an·interface·to·access·this·flag.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>150 <div·class="textblock"><p><a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·Concept.·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·implements·the·ability·of·objects·to·be·selected.·It·is·used·in·the·<a·class="el"·href="../../da/da2/a02217.html">BALL</a>·kernel·to·mark·parts·of·the·kernel·objects·for·special·operations.·In·principle,·<a·class="el"·href="../../df/d7f/a03366.html">Selectable</a>·provides·a·boolean·flag·and·defines·an·interface·to·access·this·flag.·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
151 <p><b>Interface:</b>·Storable·</p><dl·class="section·user"><dt></dt><dd></dd></dl>151 <p><b>Interface:</b>·Storable·</p><dl·class="section·user"><dt></dt><dd></dd></dl>
152 <dl·class="section·user"><dt></dt><dd></dd></dl>152 <dl·class="section·user"><dt></dt><dd></dd></dl>
  
153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d20/a01421_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d4/d20/a01421_source.html">selectable.h</a>.</p>153 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00036">36</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>154 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
155 <a·id="acdd1f898f5f02e18e00d5742b3872203"·name="acdd1f898f5f02e18e00d5742b3872203"></a>155 <a·id="acdd1f898f5f02e18e00d5742b3872203"·name="acdd1f898f5f02e18e00d5742b3872203"></a>
156 <h2·class="memtitle"><span·class="permalink"><a·href="#acdd1f898f5f02e18e00d5742b3872203">&#9670;&#160;</a></span>Selectable()·<span·class="overload">[1/2]</span></h2>156 <h2·class="memtitle"><span·class="permalink"><a·href="#acdd1f898f5f02e18e00d5742b3872203">&#9670;&#160;</a></span>Selectable()·<span·class="overload">[1/2]</span></h2>
  
157 <div·class="memitem">157 <div·class="memitem">
158 <div·class="memproto">158 <div·class="memproto">
159 ······<table·class="memname">159 ······<table·class="memname">
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548 ··<td·class="mlabels-right">548 ··<td·class="mlabels-right">
549 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>549 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
550 ··</tr>550 ··</tr>
551 </table>551 </table>
552 </div><div·class="memdoc">552 </div><div·class="memdoc">
553 <p>For·faster·access·</p>553 <p>For·faster·access·</p>
  
554 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d20/a01421_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d4/d20/a01421_source.html">selectable.h</a>.</p>554 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00123">123</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
  
555 </div>555 </div>
556 </div>556 </div>
557 <a·id="a76fd313f177c03df1d78fbba3ef42277"·name="a76fd313f177c03df1d78fbba3ef42277"></a>557 <a·id="a76fd313f177c03df1d78fbba3ef42277"·name="a76fd313f177c03df1d78fbba3ef42277"></a>
558 <h2·class="memtitle"><span·class="permalink"><a·href="#a76fd313f177c03df1d78fbba3ef42277">&#9670;&#160;</a></span>swap()</h2>558 <h2·class="memtitle"><span·class="permalink"><a·href="#a76fd313f177c03df1d78fbba3ef42277">&#9670;&#160;</a></span>swap()</h2>
  
559 <div·class="memitem">559 <div·class="memitem">
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621 ··</td>621 ··</td>
622 ··<td·class="mlabels-right">622 ··<td·class="mlabels-right">
623 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>623 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
624 ··</tr>624 ··</tr>
625 </table>625 </table>
626 </div><div·class="memdoc">626 </div><div·class="memdoc">
  
627 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d20/a01421_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d4/d20/a01421_source.html">selectable.h</a>.</p>627 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/dad/a00806_source.html#l00184">184</a>·of·file·<a·class="el"·href="../../d0/dad/a00806_source.html">selectable.h</a>.</p>
  
628 </div>628 </div>
629 </div>629 </div>
630 </div><!--·contents·-->630 </div><!--·contents·-->
631 <!--·start·footer·part·-->631 <!--·start·footer·part·-->
632 <hr·class="footer"/><address·class="footer"><small>632 <hr·class="footer"/><address·class="footer"><small>
633 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8633 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;78 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
79 <a·href="../../d5/da5/a07351.html">List·of·all·members</a>··</div>79 <a·href="../../d5/da5/a07351.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::File::CannotWrite·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::File::CannotWrite·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::File::CannotWrite:</div>85 Inheritance·diagram·for·BALL::File::CannotWrite:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/d7f/a07354.png"·usemap="#BALL::File::CannotWrite_map"·alt=""/>88 ··<img·src="../../df/d7f/a07354.png"·usemap="#BALL::File::CannotWrite_map"·alt=""/>
89 ··<map·id="BALL::File::CannotWrite_map"·name="BALL::File::CannotWrite_map">89 ··<map·id="BALL::File::CannotWrite_map"·name="BALL::File::CannotWrite_map">
90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>90 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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145 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>145 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
146 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>146 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
147 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>147 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
148 </table>148 </table>
149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>149 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
150 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·<a·class="el"·href="../../df/d7f/a07354.html">CannotWrite</a>·A·given·file·could·not·be·written,·either·because·its·not·open·or·it·has·a·wrong·open·mode.·</p>150 <div·class="textblock"><p><a·class="el"·href="../../de/d59/a02219.html">Exception</a>·<a·class="el"·href="../../df/d7f/a07354.html">CannotWrite</a>·A·given·file·could·not·be·written,·either·because·its·not·open·or·it·has·a·wrong·open·mode.·</p>
  
151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">file.h</a>.</p>151 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00142">142</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>152 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
153 <a·id="ab31f2077b5bf3641d393163cdc5504b2"·name="ab31f2077b5bf3641d393163cdc5504b2"></a>153 <a·id="ab31f2077b5bf3641d393163cdc5504b2"·name="ab31f2077b5bf3641d393163cdc5504b2"></a>
154 <h2·class="memtitle"><span·class="permalink"><a·href="#ab31f2077b5bf3641d393163cdc5504b2">&#9670;&#160;</a></span>CannotWrite()</h2>154 <h2·class="memtitle"><span·class="permalink"><a·href="#ab31f2077b5bf3641d393163cdc5504b2">&#9670;&#160;</a></span>CannotWrite()</h2>
  
155 <div·class="memitem">155 <div·class="memitem">
156 <div·class="memproto">156 <div·class="memproto">
157 ······<table·class="memname">157 ······<table·class="memname">
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243 ··</td>243 ··</td>
244 ··<td·class="mlabels-right">244 ··<td·class="mlabels-right">
245 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>245 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
246 ··</tr>246 ··</tr>
247 </table>247 </table>
248 </div><div·class="memdoc">248 </div><div·class="memdoc">
  
249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">file.h</a>.</p>249 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00154">154</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
  
250 </div>250 </div>
251 </div>251 </div>
252 </div><!--·contents·-->252 </div><!--·contents·-->
253 <!--·start·footer·part·-->253 <!--·start·footer·part·-->
254 <hr·class="footer"/><address·class="footer"><small>254 <hr·class="footer"/><address·class="footer"><small>
255 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8255 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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2.56 KB
./usr/share/doc/libball1.5/html/BALL/df/d7f/a07682.html
    
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d0/d33/a07679.html">List·of·all·members</a>··</div>78 <a·href="../../d0/d33/a07679.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginModel·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::PluginModel·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/ddf/a00488_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d70/a01187_source.html">BALL/VIEW/DIALOGS/pluginDialog.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::PluginModel:</div>84 Inheritance·diagram·for·BALL::VIEW::PluginModel:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/d7f/a07682.png"·usemap="#BALL::VIEW::PluginModel_map"·alt=""/>87 ··<img·src="../../df/d7f/a07682.png"·usemap="#BALL::VIEW::PluginModel_map"·alt=""/>
88 ··<map·id="BALL::VIEW::PluginModel_map"·name="BALL::VIEW::PluginModel_map">88 ··<map·id="BALL::VIEW::PluginModel_map"·name="BALL::VIEW::PluginModel_map">
89 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,156,24"/>89 <area·href="../../da/d29/a20254.html"·alt="QAbstractListModel"·shape="rect"·coords="0,0,156,24"/>
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101 <tr·class="separator:a1d2785d8316a0ba726fc9427c2a78532"><td·class="memSeparator"·colspan="2">&#160;</td></tr>101 <tr·class="separator:a1d2785d8316a0ba726fc9427c2a78532"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
102 <tr·class="memitem:aea6735ac738701a93dfdf26c35b0fd6d"·id="r_aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a07682.html#aea6735ac738701a93dfdf26c35b0fd6d">pluginsLoaded</a>·()</td></tr>102 <tr·class="memitem:aea6735ac738701a93dfdf26c35b0fd6d"·id="r_aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memItemLeft"·align="right"·valign="top">void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d7f/a07682.html#aea6735ac738701a93dfdf26c35b0fd6d">pluginsLoaded</a>·()</td></tr>
103 <tr·class="separator:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:aea6735ac738701a93dfdf26c35b0fd6d"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
104 </table>104 </table>
105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>105 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
106 <div·class="textblock"><p>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·currently·loaded·plugins·</p>106 <div·class="textblock"><p>A·wrapper·around·the·plugin·manager·that·provides·a·model·on·the·currently·loaded·plugins·</p>
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/ddf/a00488_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../d4/ddf/a00488_source.html">pluginDialog.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d70/a01187_source.html#l00033">33</a>·of·file·<a·class="el"·href="../../dc/d70/a01187_source.html">pluginDialog.h</a>.</p>
108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>108 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
109 <a·id="aab912e7ecd54533ac5b73addebaab18d"·name="aab912e7ecd54533ac5b73addebaab18d"></a>109 <a·id="aab912e7ecd54533ac5b73addebaab18d"·name="aab912e7ecd54533ac5b73addebaab18d"></a>
110 <h2·class="memtitle"><span·class="permalink"><a·href="#aab912e7ecd54533ac5b73addebaab18d">&#9670;&#160;</a></span>PluginModel()</h2>110 <h2·class="memtitle"><span·class="permalink"><a·href="#aab912e7ecd54533ac5b73addebaab18d">&#9670;&#160;</a></span>PluginModel()</h2>
  
111 <div·class="memitem">111 <div·class="memitem">
112 <div·class="memproto">112 <div·class="memproto">
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7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>7 <meta·name="viewport"·content="width=device-width,·initial-scale=1"/>
8 <title>BALL:·kernelModel.h·File·Reference</title>8 <title>BALL:·SCWRLRotamerFile.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>12 <link·href="../../search/search.css"·rel="stylesheet"·type="text/css"/>
13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">kernelModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">SCWRLRotamerFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d3/d29/a00947_source.html">BALL/QSAR/linearModel.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../dd/d59/a20371_source.html">BALL/QSAR/kernel.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../df/d88/a00962_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/d88/a00962_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
88 Classes</h2></td></tr>86 Classes</h2></td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/dd1/a05730.html">BALL::QSAR::KernelModel</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dad/a04438.html">BALL::SCWRLRotamerFile</a></td></tr>
 88 <tr·class="memdesc:"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Reads·Dunbrack/SCWRL·rotamer·library·files.··<a·href="../../d7/dad/a04438.html#details">More...</a><br·/></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
91 </table><table·class="memberdecls">90 </table><table·class="memberdecls">
92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
93 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
98 </table>95 </table>
99 </div><!--·contents·-->96 </div><!--·contents·-->
100 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
101 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.899 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d2/d8a/a04355.html">List·of·all·members</a>··</div>78 <a·href="../../d2/d8a/a04355.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTER·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::PDB::RecordTER·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/d07/a01241_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d9/dce/a00944_source.html">BALL/FORMAT/PDBdefs.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:adde49c3084b07e772f84dabc3b1e78e8"·id="r_adde49c3084b07e772f84dabc3b1e78e8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#adde49c3084b07e772f84dabc3b1e78e8">record_type</a></td></tr>86 <tr·class="memitem:adde49c3084b07e772f84dabc3b1e78e8"·id="r_adde49c3084b07e772f84dabc3b1e78e8"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a8812d99fb61d72c2c9aea58e66bee4fc">RecordType</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#adde49c3084b07e772f84dabc3b1e78e8">record_type</a></td></tr>
87 <tr·class="separator:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:adde49c3084b07e772f84dabc3b1e78e8"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:af8b6cfd9fa12270a3d904d5a8c5b2221"·id="r_af8b6cfd9fa12270a3d904d5a8c5b2221"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#af8b6cfd9fa12270a3d904d5a8c5b2221">record_name</a></td></tr>88 <tr·class="memitem:af8b6cfd9fa12270a3d904d5a8c5b2221"·id="r_af8b6cfd9fa12270a3d904d5a8c5b2221"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#af8b6cfd9fa12270a3d904d5a8c5b2221">record_name</a></td></tr>
89 <tr·class="separator:af8b6cfd9fa12270a3d904d5a8c5b2221"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:af8b6cfd9fa12270a3d904d5a8c5b2221"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a60c4f28be9ee9b704664339690b4d89e"·id="r_a60c4f28be9ee9b704664339690b4d89e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#a60c4f28be9ee9b704664339690b4d89e">serial_number</a></td></tr>90 <tr·class="memitem:a60c4f28be9ee9b704664339690b4d89e"·id="r_a60c4f28be9ee9b704664339690b4d89e"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d10/a02226.html#af49997bcc7b25cf71572f5ece1cfd056">Integer</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#a60c4f28be9ee9b704664339690b4d89e">serial_number</a></td></tr>
91 <tr·class="separator:a60c4f28be9ee9b704664339690b4d89e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:a60c4f28be9ee9b704664339690b4d89e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 <tr·class="memitem:a167a6bce71282d392eaa4d5aa560719f"·id="r_a167a6bce71282d392eaa4d5aa560719f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#a167a6bce71282d392eaa4d5aa560719f">residue</a></td></tr>92 <tr·class="memitem:a167a6bce71282d392eaa4d5aa560719f"·id="r_a167a6bce71282d392eaa4d5aa560719f"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d3/d84/a04098.html">Residue</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d88/a04358.html#a167a6bce71282d392eaa4d5aa560719f">residue</a></td></tr>
93 <tr·class="separator:a167a6bce71282d392eaa4d5aa560719f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:a167a6bce71282d392eaa4d5aa560719f"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>94 </table>
95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>95 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
96 <div·class="textblock">96 <div·class="textblock">
97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01151">1151</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>97 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01151">1151</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
98 </div><h2·class="groupheader">Member·Data·Documentation</h2>98 </div><h2·class="groupheader">Member·Data·Documentation</h2>
99 <a·id="af8b6cfd9fa12270a3d904d5a8c5b2221"·name="af8b6cfd9fa12270a3d904d5a8c5b2221"></a>99 <a·id="af8b6cfd9fa12270a3d904d5a8c5b2221"·name="af8b6cfd9fa12270a3d904d5a8c5b2221"></a>
100 <h2·class="memtitle"><span·class="permalink"><a·href="#af8b6cfd9fa12270a3d904d5a8c5b2221">&#9670;&#160;</a></span>record_name</h2>100 <h2·class="memtitle"><span·class="permalink"><a·href="#af8b6cfd9fa12270a3d904d5a8c5b2221">&#9670;&#160;</a></span>record_name</h2>
  
101 <div·class="memitem">101 <div·class="memitem">
102 <div·class="memproto">102 <div·class="memproto">
103 ······<table·class="memname">103 ······<table·class="memname">
104 ········<tr>104 ········<tr>
105 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordTER::record_name</td>105 ··········<td·class="memname"><a·class="el"·href="../../d3/d10/a02226.html#a549884b5d22aa365675563fafd3e244c">RecordName</a>·BALL::PDB::RecordTER::record_name</td>
106 ········</tr>106 ········</tr>
107 ······</table>107 ······</table>
108 </div><div·class="memdoc">108 </div><div·class="memdoc">
  
109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d07/a01241_source.html#l01154">1154</a>·of·file·<a·class="el"·href="../../d3/d07/a01241_source.html">PDBdefs.h</a>.</p>109 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/dce/a00944_source.html#l01154">1154</a>·of·file·<a·class="el"·href="../../d9/dce/a00944_source.html">PDBdefs.h</a>.</p>
  
110 </div>110 </div>
111 </div>111 </div>
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222 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"·name="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"></a>AROMATIC_BOND&#160;</td><td·class="fielddoc"></td></tr>222 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"·name="a198181de5f7ba250fea0049efc9e000ea11c97bfba529fab744e20873be33cf13"></a>AROMATIC_BOND&#160;</td><td·class="fielddoc"></td></tr>
223 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"·name="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"></a>AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>223 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"·name="a198181de5f7ba250fea0049efc9e000ea99eaee30686478d5d1799e8044ae73b6"></a>AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>
224 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"·name="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"></a>NO_AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>224 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"·name="a198181de5f7ba250fea0049efc9e000ea5160d48f11d4ecd39c91d0e98973ecdb"></a>NO_AROMATIC_BOND_TO_PARENT&#160;</td><td·class="fielddoc"></td></tr>
225 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"·name="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"></a>APS_TRUE&#160;</td><td·class="fielddoc"></td></tr>225 <tr><td·class="fieldname"><a·id="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"·name="a198181de5f7ba250fea0049efc9e000ea7dd3afa7f979866b40544d7467cb6aed"></a>APS_TRUE&#160;</td><td·class="fielddoc"></td></tr>
226 </table>226 </table>
  
227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>227 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00031">31</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
228 </div>228 </div>
229 </div>229 </div>
230 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>230 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
231 <a·id="aba1220d2faad2ec5772b5f6de2142475"·name="aba1220d2faad2ec5772b5f6de2142475"></a>231 <a·id="aba1220d2faad2ec5772b5f6de2142475"·name="aba1220d2faad2ec5772b5f6de2142475"></a>
232 <h2·class="memtitle"><span·class="permalink"><a·href="#aba1220d2faad2ec5772b5f6de2142475">&#9670;&#160;</a></span>APSMatcher()</h2>232 <h2·class="memtitle"><span·class="permalink"><a·href="#aba1220d2faad2ec5772b5f6de2142475">&#9670;&#160;</a></span>APSMatcher()</h2>
  
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465 ······<table·class="memname">465 ······<table·class="memname">
466 ········<tr>466 ········<tr>
467 ··········<td·class="memname">std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a>&gt;·&gt;·BALL::GAFFCESParser::APSMatcher::aps_terms</td>467 ··········<td·class="memname">std::vector&lt;·std::vector&lt;·<a·class="el"·href="../../d6/d5a/a04966.html">APSTerm</a>&gt;·&gt;·BALL::GAFFCESParser::APSMatcher::aps_terms</td>
468 ········</tr>468 ········</tr>
469 ······</table>469 ······</table>
470 </div><div·class="memdoc">470 </div><div·class="memdoc">
  
471 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d1a/a01559_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../de/d1a/a01559_source.html">GAFFCESParser.h</a>.</p>471 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d16/a00029_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d5/d16/a00029_source.html">GAFFCESParser.h</a>.</p>
  
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
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79 <a·href="../../d2/d91/a07343.html">List·of·all·members</a>··</div>79 <a·href="../../d2/d91/a07343.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::TransformationManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::TransformationManager·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d7/db7/a02198.html">Operating·system·support</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d90/a01919_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-methods"·name="pub-methods"></a>
86 Public·Member·Functions</h2></td></tr>86 Public·Member·Functions</h2></td></tr>
87 <tr·class="memitem:ac3d19ff37f23d97c80d37cb9d27286e7"·id="r_ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">TransformationManager</a>·()</td></tr>87 <tr·class="memitem:ac3d19ff37f23d97c80d37cb9d27286e7"·id="r_ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#ac3d19ff37f23d97c80d37cb9d27286e7">TransformationManager</a>·()</td></tr>
88 <tr·class="memdesc:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<br·/></td></tr>88 <tr·class="memdesc:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">Default·constructor.··<br·/></td></tr>
89 <tr·class="separator:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:ac3d19ff37f23d97c80d37cb9d27286e7"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:a0478ff9c526d3a85c19c8bafaa69fe2f"·id="r_a0478ff9c526d3a85c19c8bafaa69fe2f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#a0478ff9c526d3a85c19c8bafaa69fe2f">~TransformationManager</a>·()</td></tr>90 <tr·class="memitem:a0478ff9c526d3a85c19c8bafaa69fe2f"·id="r_a0478ff9c526d3a85c19c8bafaa69fe2f"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d93/a07346.html#a0478ff9c526d3a85c19c8bafaa69fe2f">~TransformationManager</a>·()</td></tr>
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109 <tr·class="memdesc:a687f08919cd34466f66836dacdbd475e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·map·containing·all·transformation·methods.··<br·/></td></tr>109 <tr·class="memdesc:a687f08919cd34466f66836dacdbd475e"><td·class="mdescLeft">&#160;</td><td·class="mdescRight">The·map·containing·all·transformation·methods.··<br·/></td></tr>
110 <tr·class="separator:a687f08919cd34466f66836dacdbd475e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>110 <tr·class="separator:a687f08919cd34466f66836dacdbd475e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
111 </table>111 </table>
112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>112 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
113 <div·class="textblock"><p>This·class·handles·automatic·file·transformation·methods.·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·provides·the·ability·to·transform·files·on·the·fly·using·predefined·transformation·commands·(e.g.·unix-style·filters).·For·example,·compressed·files·can·be·automatically·decompressed·by·calling·the·unic·<code>compress</code>·command.·The·respective·commands·are·selected·via·a·suitable·regular·expression,·usually·matching·the·file·suffix.·A·frequent·application·for·this·transformation·is·the·compressed·storage·of·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files·in·the·unix·compressed·format·(<code>*.Z</code>).·Transformation·manager·basically·contains·a·map·consisting·of·two·strings.·Using·<a·class="el"·href="../../">findTransformationCommand·</a>·,·<br··/>113 <div·class="textblock"><p>This·class·handles·automatic·file·transformation·methods.·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·provides·the·ability·to·transform·files·on·the·fly·using·predefined·transformation·commands·(e.g.·unix-style·filters).·For·example,·compressed·files·can·be·automatically·decompressed·by·calling·the·unic·<code>compress</code>·command.·The·respective·commands·are·selected·via·a·suitable·regular·expression,·usually·matching·the·file·suffix.·A·frequent·application·for·this·transformation·is·the·compressed·storage·of·<a·class="el"·href="../../d3/d10/a02226.html">PDB</a>·files·in·the·unix·compressed·format·(<code>*.Z</code>).·Transformation·manager·basically·contains·a·map·consisting·of·two·strings.·Using·<a·class="el"·href="../../">findTransformationCommand·</a>·,·<br··/>
114 ·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·can·determine·whether·there·is·a·suitable·transformation·command·available·for·a·given·file·name.·User-defined·transformation·may·be·defined·at·any·time·using·the·<a·class="el"·href="../../df/d93/a07346.html#a5121bae121200899f758fd3952f82ff5">registerTransformation·</a>·method·of·the·static·instance·of·<a·class="el"·href="../../df/d93/a07346.html">TransformationManager·</a>·accessible·through·<a·class="el"·href="../../db/d42/a07350.html#aae5c4afbbdafc583616910706227e615">File::getTransformationManager·</a>·.·</p>114 ·<a·class="el"·href="../../db/d42/a07350.html">File·</a>·can·determine·whether·there·is·a·suitable·transformation·command·available·for·a·given·file·name.·User-defined·transformation·may·be·defined·at·any·time·using·the·<a·class="el"·href="../../df/d93/a07346.html#a5121bae121200899f758fd3952f82ff5">registerTransformation·</a>·method·of·the·static·instance·of·<a·class="el"·href="../../df/d93/a07346.html">TransformationManager·</a>·accessible·through·<a·class="el"·href="../../db/d42/a07350.html#aae5c4afbbdafc583616910706227e615">File::getTransformationManager·</a>·.·</p>
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">file.h</a>.</p>115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00077">77</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>116 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
117 <a·id="ac3d19ff37f23d97c80d37cb9d27286e7"·name="ac3d19ff37f23d97c80d37cb9d27286e7"></a>117 <a·id="ac3d19ff37f23d97c80d37cb9d27286e7"·name="ac3d19ff37f23d97c80d37cb9d27286e7"></a>
118 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3d19ff37f23d97c80d37cb9d27286e7">&#9670;&#160;</a></span>TransformationManager()</h2>118 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3d19ff37f23d97c80d37cb9d27286e7">&#9670;&#160;</a></span>TransformationManager()</h2>
  
119 <div·class="memitem">119 <div·class="memitem">
120 <div·class="memproto">120 <div·class="memproto">
121 ······<table·class="memname">121 ······<table·class="memname">
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272 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>272 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
273 ··</tr>273 ··</tr>
274 </table>274 </table>
275 </div><div·class="memdoc">275 </div><div·class="memdoc">
  
276 <p>The·map·containing·all·transformation·methods.·</p>276 <p>The·map·containing·all·transformation·methods.·</p>
  
277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d90/a01919_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../de/d90/a01919_source.html">file.h</a>.</p>277 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/dba/a00773_source.html#l00128">128</a>·of·file·<a·class="el"·href="../../d8/dba/a00773_source.html">file.h</a>.</p>
  
278 </div>278 </div>
279 </div>279 </div>
280 </div><!--·contents·-->280 </div><!--·contents·-->
281 <!--·start·footer·part·-->281 <!--·start·footer·part·-->
282 <hr·class="footer"/><address·class="footer"><small>282 <hr·class="footer"/><address·class="footer"><small>
283 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8283 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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8 <title>BALL:·glRenderWindow.h·File·Reference</title>8 <title>BALL:·pyColorRGBAVector.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_902d47b68cb62dfcc85342156c48b077.html">RENDERING</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_bdf615705158bdb9ef48f1578bccfd92.html">PYTHON</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c153eaa5b1a7273a1076ed00b51614f.html">EXTENSIONS</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
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75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">glRenderWindow.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">pyColorRGBAVector.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/> 
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88 <p><a·href="../../df/d95/a00299_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/d95/a00299_source.html">Go·to·the·source·code·of·this·file.</a></p>
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78 <a·href="#define-members">Macros</a>··</div> 
79 ··<div·class="headertitle"><div·class="title">regularExpression.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">atomVector.h·File·Reference</div></div>
80 </div><!--header-->79 </div><!--header-->
81 <div·class="contents">80 <div·class="contents">
82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dd/dc1/a00212_source.html">BALL/common.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
83 <code>#include·&lt;boost/regex.h&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../d1/d88/a00128_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d0/d27/a00239_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>
85 <code>#include·&lt;BALL/DATATYPE/regularExpression.iC&gt;</code><br·/> 
86 </div>83 </div>
87 <p><a·href="../../df/d98/a00107_source.html">Go·to·the·source·code·of·this·file.</a></p>84 <p><a·href="../../df/d98/a00107_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">85 <table·class="memberdecls">
89 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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95 Namespaces</h2></td></tr>92 Namespaces</h2></td></tr>
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98 </table><table·class="memberdecls"> 
99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="define-members"·name="define-members"></a> 
100 Macros</h2></td></tr> 
101 <tr·class="memitem:a09d4f80eb138444122cb0b60520e5e85"·id="r_a09d4f80eb138444122cb0b60520e5e85"><td·class="memItemLeft"·align="right"·valign="top">#define&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d98/a00107.html#a09d4f80eb138444122cb0b60520e5e85">BALL_REGULAR_EXPRESSION_DEFAULT_PATTERN</a>&#160;&#160;&#160;&quot;&quot;</td></tr> 
102 <tr·class="separator:a09d4f80eb138444122cb0b60520e5e85"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
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104 <h2·class="groupheader">Macro·Definition·Documentation</h2> 
105 <a·id="a09d4f80eb138444122cb0b60520e5e85"·name="a09d4f80eb138444122cb0b60520e5e85"></a> 
106 <h2·class="memtitle"><span·class="permalink"><a·href="#a09d4f80eb138444122cb0b60520e5e85">&#9670;&#160;</a></span>BALL_REGULAR_EXPRESSION_DEFAULT_PATTERN</h2> 
  
107 <div·class="memitem"> 
108 <div·class="memproto"> 
109 ······<table·class="memname"> 
110 ········<tr> 
111 ··········<td·class="memname">#define·BALL_REGULAR_EXPRESSION_DEFAULT_PATTERN&#160;&#160;&#160;&quot;&quot;</td> 
112 ········</tr> 
113 ······</table> 
114 </div><div·class="memdoc"> 
  
115 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d98/a00107_source.html#l00022">22</a>·of·file·<a·class="el"·href="../../df/d98/a00107_source.html">regularExpression.h</a>.</p> 
  
116 </div> 
117 </div> 
118 </div><!--·contents·-->96 </div><!--·contents·-->
119 <!--·start·footer·part·-->97 <!--·start·footer·part·-->
120 <hr·class="footer"/><address·class="footer"><small>98 <hr·class="footer"/><address·class="footer"><small>
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8 <title>BALL:·surfaceProcessor.h·File·Reference</title>8 <title>BALL:·fragmentDB.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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73 </div>73 </div>
74 </div><!--·top·-->74 </div><!--·top·-->
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76 ··<div·class="summary">76 ··<div·class="summary">
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78 <a·href="#namespaces">Namespaces</a>··</div>78 <a·href="#namespaces">Namespaces</a>··</div>
79 ··<div·class="headertitle"><div·class="title">surfaceProcessor.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">fragmentDB.h·File·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
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84 <code>#include·&lt;<a·class="el"·href="../../d4/dc6/a01793_source.html">BALL/STRUCTURE/solventExcludedSurface.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;<a·class="el"·href="../../da/dcd/a01835_source.html">BALL/STRUCTURE/triangulatedSES.h</a>&gt;</code><br·/> 
86 <code>#include·&lt;<a·class="el"·href="../../de/dca/a01907_source.html">BALL/STRUCTURE/solventAccessibleSurface.h</a>&gt;</code><br·/> 
87 <code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/triangulatedSAS.h</a>&gt;</code><br·/> 
88 <code>#include·&lt;<a·class="el"·href="../../de/dc3/a01787_source.html">BALL/STRUCTURE/triangulatedSurface.h</a>&gt;</code><br·/> 
89 <code>#include·&lt;<a·class="el"·href="../../df/d3b/a00728_source.html">BALL/MATHS/surface.h</a>&gt;</code><br·/> 
90 <code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/CONCEPT/processor.h</a>&gt;</code><br·/>83 <code>#include·&lt;<a·class="el"·href="../../db/d44/a00533_source.html">BALL/KERNEL/residue.h</a>&gt;</code><br·/>
91 <code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/KERNEL/atom.h</a>&gt;</code><br·/>84 <code>#include·&lt;<a·class="el"·href="../../d4/d1e/a00497_source.html">BALL/KERNEL/molecule.h</a>&gt;</code><br·/>
92 <code>#include·&lt;<a·class="el"·href="../../d6/d2f/a00854_source.html">BALL/KERNEL/PTE.h</a>&gt;</code><br·/>85 <code>#include·&lt;<a·class="el"·href="../../dc/dae/a00563_source.html">BALL/KERNEL/bond.h</a>&gt;</code><br·/>
 86 <code>#include·&lt;<a·class="el"·href="../../d4/d29/a01817_source.html">BALL/STRUCTURE/reconstructFragmentProcessor.h</a>&gt;</code><br·/>
 87 <code>#include·&lt;vector&gt;</code><br·/>
 88 <code>#include·&lt;list&gt;</code><br·/>
93 </div>89 </div>
94 <p><a·href="../../df/d9a/a01715_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../df/d9a/a01715_source.html">Go·to·the·source·code·of·this·file.</a></p>
95 <table·class="memberdecls">91 <table·class="memberdecls">
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d03/a06866.html">BALL::FragmentDB::NoFragmentNode</a></td></tr>
 97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d00/a06870.html">BALL::FragmentDB::NormalizeNamesProcessor</a></td></tr>
 99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
98 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d8a/a07290.html">BALL::SurfaceProcessor</a></td></tr>100 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d7/dfe/a06874.html">BALL::FragmentDB::BuildBondsProcessor</a></td></tr>
 101 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 102 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d1/d27/a06878.html">BALL::FragmentDB::BuildBondsProcessor::Connection</a></td></tr>
99 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>103 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
100 </table><table·class="memberdecls">104 </table><table·class="memberdecls">
101 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>105 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
102 Namespaces</h2></td></tr>106 Namespaces</h2></td></tr>
103 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>107 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
104 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>108 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d6d/a03547.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d6d/a03547.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::IllegalKey·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::HashSet&lt;·Key·&gt;::IllegalKey·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../da/d2a/a00086_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d9b/a00680_source.html">BALL/DATATYPE/hashSet.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::HashSet&lt;·Key·&gt;::IllegalKey:</div>84 Inheritance·diagram·for·BALL::HashSet&lt;·Key·&gt;::IllegalKey:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/dab/a03550.png"·usemap="#BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·alt=""/>87 ··<img·src="../../df/dab/a03550.png"·usemap="#BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·alt=""/>
88 ··<map·id="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·name="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map">88 ··<map·id="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map"·name="BALL::HashSet_3C_20Key_20_3E::IllegalKey_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>143 <div·class="textblock"><div·class="compoundTemplParams">template&lt;class·Key&gt;<br·/>
144 class·BALL::HashSet&lt;·Key·&gt;::IllegalKey</div><p>Illegal·key·exception.·Thrown·if·access·to·a·non-existent·key·is·required·by·the·constant·version·of·<a·class="el"·href="../../">operator·[]·</a>·.·</p>144 class·BALL::HashSet&lt;·Key·&gt;::IllegalKey</div><p>Illegal·key·exception.·Thrown·if·access·to·a·non-existent·key·is·required·by·the·constant·version·of·<a·class="el"·href="../../">operator·[]·</a>·.·</p>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00263">263</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a7b985ceac475a84b15ef0f92c3ff78da"·name="a7b985ceac475a84b15ef0f92c3ff78da"></a>147 <a·id="a7b985ceac475a84b15ef0f92c3ff78da"·name="a7b985ceac475a84b15ef0f92c3ff78da"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b985ceac475a84b15ef0f92c3ff78da">&#9670;&#160;</a></span>IllegalKey()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a7b985ceac475a84b15ef0f92c3ff78da">&#9670;&#160;</a></span>IllegalKey()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 <div·class="memtemplate">151 <div·class="memtemplate">
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177 ··</td>177 ··</td>
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179 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>179 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
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183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d2a/a00086_source.html#l00267">267</a>·of·file·<a·class="el"·href="../../da/d2a/a00086_source.html">hashSet.h</a>.</p>183 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d9b/a00680_source.html#l00267">267</a>·of·file·<a·class="el"·href="../../d4/d9b/a00680_source.html">hashSet.h</a>.</p>
  
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185 </div>185 </div>
186 </div><!--·contents·-->186 </div><!--·contents·-->
187 <!--·start·footer·part·-->187 <!--·start·footer·part·-->
188 <hr·class="footer"/><address·class="footer"><small>188 <hr·class="footer"/><address·class="footer"><small>
189 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8189 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../db/dba/a07779.html">List·of·all·members</a>··</div>78 <a·href="../../db/dba/a07779.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationEvent6D·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TransformationEvent6D·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d91/a00659_source.html">BALL/VIEW/INPUT/transformationEvent6D.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/VIEW/INPUT/transformationEvent6D.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::TransformationEvent6D:</div>84 Inheritance·diagram·for·BALL::VIEW::TransformationEvent6D:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/db3/a07782.png"·usemap="#BALL::VIEW::TransformationEvent6D_map"·alt=""/>87 ··<img·src="../../df/db3/a07782.png"·usemap="#BALL::VIEW::TransformationEvent6D_map"·alt=""/>
88 ··<map·id="BALL::VIEW::TransformationEvent6D_map"·name="BALL::VIEW::TransformationEvent6D_map">88 ··<map·id="BALL::VIEW::TransformationEvent6D_map"·name="BALL::VIEW::TransformationEvent6D_map">
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104 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"·id="r_ad4a190d3316f5f7ff80708e371d57fac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>104 <tr·class="memitem:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"·id="r_ad4a190d3316f5f7ff80708e371d57fac"><td·class="memItemLeft"·align="right"·valign="top">&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#ad4a190d3316f5f7ff80708e371d57fac">DeviceEvent</a>·(<a·class="el"·href="../../d4/dc0/a02225.html#aa2fca1fc37bdacf153845f4158b97baa">EventsIDs</a>·type,·<a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*device)</td></tr>
105 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>105 <tr·class="separator:ad4a190d3316f5f7ff80708e371d57fac·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
106 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>106 <tr·class="memitem:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"·id="r_a9782e224d9fccb38e5e600ef01fe35a7"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../dd/d73/a07766.html">InputDeviceDriver</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbf/a07754.html#a9782e224d9fccb38e5e600ef01fe35a7">getDevice</a>·()</td></tr>
107 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>107 <tr·class="separator:a9782e224d9fccb38e5e600ef01fe35a7·inherit·pub_methods_a07754"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
108 </table>108 </table>
109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>109 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
110 <div·class="textblock">110 <div·class="textblock">
111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">transformationEvent6D.h</a>.</p>111 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00013">13</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>112 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
113 <a·id="a127a7bf69b88466ecfb11aaed80fcaa5"·name="a127a7bf69b88466ecfb11aaed80fcaa5"></a>113 <a·id="a127a7bf69b88466ecfb11aaed80fcaa5"·name="a127a7bf69b88466ecfb11aaed80fcaa5"></a>
114 <h2·class="memtitle"><span·class="permalink"><a·href="#a127a7bf69b88466ecfb11aaed80fcaa5">&#9670;&#160;</a></span>TransformationEvent6D()</h2>114 <h2·class="memtitle"><span·class="permalink"><a·href="#a127a7bf69b88466ecfb11aaed80fcaa5">&#9670;&#160;</a></span>TransformationEvent6D()</h2>
  
115 <div·class="memitem">115 <div·class="memitem">
116 <div·class="memproto">116 <div·class="memproto">
117 ······<table·class="memname">117 ······<table·class="memname">
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188 ··</td>188 ··</td>
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190 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>190 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
191 ··</tr>191 ··</tr>
192 </table>192 </table>
193 </div><div·class="memdoc">193 </div><div·class="memdoc">
  
194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">transformationEvent6D.h</a>.</p>194 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00020">20</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
  
195 </div>195 </div>
196 </div>196 </div>
197 <a·id="ac16ae03d064187facc3afd6990956a3d"·name="ac16ae03d064187facc3afd6990956a3d"></a>197 <a·id="ac16ae03d064187facc3afd6990956a3d"·name="ac16ae03d064187facc3afd6990956a3d"></a>
198 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16ae03d064187facc3afd6990956a3d">&#9670;&#160;</a></span>getTranslation()</h2>198 <h2·class="memtitle"><span·class="permalink"><a·href="#ac16ae03d064187facc3afd6990956a3d">&#9670;&#160;</a></span>getTranslation()</h2>
  
199 <div·class="memitem">199 <div·class="memitem">
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215 ··</td>215 ··</td>
216 ··<td·class="mlabels-right">216 ··<td·class="mlabels-right">
217 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>217 <span·class="mlabels"><span·class="mlabel">inline</span></span>··</td>
218 ··</tr>218 ··</tr>
219 </table>219 </table>
220 </div><div·class="memdoc">220 </div><div·class="memdoc">
  
221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d91/a00659_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../dc/d91/a00659_source.html">transformationEvent6D.h</a>.</p>221 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">transformationEvent6D.h</a>.</p>
  
222 </div>222 </div>
223 </div>223 </div>
224 </div><!--·contents·-->224 </div><!--·contents·-->
225 <!--·start·footer·part·-->225 <!--·start·footer·part·-->
226 <hr·class="footer"/><address·class="footer"><small>226 <hr·class="footer"/><address·class="footer"><small>
227 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8227 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/dbd/a03075.html">List·of·all·members</a>··</div>78 <a·href="../../d3/dbd/a03075.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfRange·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Exception::OutOfRange·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/COMMON/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Exception::OutOfRange:</div>84 Inheritance·diagram·for·BALL::Exception::OutOfRange:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/db9/a03078.png"·usemap="#BALL::Exception::OutOfRange_map"·alt=""/>87 ··<img·src="../../df/db9/a03078.png"·usemap="#BALL::Exception::OutOfRange_map"·alt=""/>
88 ··<map·id="BALL::Exception::OutOfRange_map"·name="BALL::Exception::OutOfRange_map">88 ··<map·id="BALL::Exception::OutOfRange_map"·name="BALL::Exception::OutOfRange_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>Out·of·range.·Use·this·exception·to·indicate·that·a·given·value·is·out·of·a·defined·range,·i.·e.·not·within·the·domain·of·a·function.·</p>143 <div·class="textblock"><p>Out·of·range.·Use·this·exception·to·indicate·that·a·given·value·is·out·of·a·defined·range,·i.·e.·not·within·the·domain·of·a·function.·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d83/a20365_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../dc/d83/a20365_source.html">COMMON/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/d08/a20383_source.html#l00217">217</a>·of·file·<a·class="el"·href="../../d5/d08/a20383_source.html">COMMON/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="a9e5c46f7ed193dc8af7b554a8877d40b"·name="a9e5c46f7ed193dc8af7b554a8877d40b"></a>146 <a·id="a9e5c46f7ed193dc8af7b554a8877d40b"·name="a9e5c46f7ed193dc8af7b554a8877d40b"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e5c46f7ed193dc8af7b554a8877d40b">&#9670;&#160;</a></span>OutOfRange()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#a9e5c46f7ed193dc8af7b554a8877d40b">&#9670;&#160;</a></span>OutOfRange()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
149 <div·class="memproto">149 <div·class="memproto">
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135 ········<tr>135 ········<tr>
136 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td>136 ··········<td·class="memname">typedef·std::vector&lt;<a·class="el"·href="../../de/d5d/a09194.html">double</a>&gt;·<a·class="el"·href="../../df/dbf/a02161.html#gaa649a1311071bb1ec10fced6556f62d5">BALL::Coefficients</a></td>
137 ········</tr>137 ········</tr>
138 ······</table>138 ······</table>
139 </div><div·class="memdoc">139 </div><div·class="memdoc">
140 <p>Every·piece·of·a·piecewise·function·needs·a·bunch·of·coefficients·</p>140 <p>Every·piece·of·a·piecewise·function·needs·a·bunch·of·coefficients·</p>
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d6/dc0/a00734_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d6/dc0/a00734_source.html">piecewiseFunction.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/da8/a00230_source.html#l00019">19</a>·of·file·<a·class="el"·href="../../d1/da8/a00230_source.html">piecewiseFunction.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
144 <h2·class="groupheader">Function·Documentation</h2>144 <h2·class="groupheader">Function·Documentation</h2>
145 <a·id="ga1ee19dfaf4aa4bcab733c3335a9117b4"·name="ga1ee19dfaf4aa4bcab733c3335a9117b4"></a>145 <a·id="ga1ee19dfaf4aa4bcab733c3335a9117b4"·name="ga1ee19dfaf4aa4bcab733c3335a9117b4"></a>
146 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1ee19dfaf4aa4bcab733c3335a9117b4">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[1/3]</span></h2>146 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1ee19dfaf4aa4bcab733c3335a9117b4">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[1/3]</span></h2>
  
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159 ··········<td></td>159 ··········<td></td>
160 ········</tr>160 ········</tr>
161 ······</table>161 ······</table>
162 </div><div·class="memdoc">162 </div><div·class="memdoc">
  
163 <p>Default·constructor.·</p>163 <p>Default·constructor.·</p>
  
164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>164 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00089">89</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
165 </div>165 </div>
166 </div>166 </div>
167 <a·id="ga1e13c037a596aba2b642895671e9b558"·name="ga1e13c037a596aba2b642895671e9b558"></a>167 <a·id="ga1e13c037a596aba2b642895671e9b558"·name="ga1e13c037a596aba2b642895671e9b558"></a>
168 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1e13c037a596aba2b642895671e9b558">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[2/3]</span></h2>168 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1e13c037a596aba2b642895671e9b558">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[2/3]</span></h2>
  
169 <div·class="memitem">169 <div·class="memitem">
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183 ··········<td></td>183 ··········<td></td>
184 ········</tr>184 ········</tr>
185 ······</table>185 ······</table>
186 </div><div·class="memdoc">186 </div><div·class="memdoc">
  
187 <p>Copy·constructor.·</p>187 <p>Copy·constructor.·</p>
  
188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>188 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00107">107</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
189 </div>189 </div>
190 </div>190 </div>
191 <a·id="ga96840ed35b8f1d01231d242a8e2aeeea"·name="ga96840ed35b8f1d01231d242a8e2aeeea"></a>191 <a·id="ga96840ed35b8f1d01231d242a8e2aeeea"·name="ga96840ed35b8f1d01231d242a8e2aeeea"></a>
192 <h2·class="memtitle"><span·class="permalink"><a·href="#ga96840ed35b8f1d01231d242a8e2aeeea">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[3/3]</span></h2>192 <h2·class="memtitle"><span·class="permalink"><a·href="#ga96840ed35b8f1d01231d242a8e2aeeea">&#9670;&#160;</a></span>ParsedFunction()·<span·class="overload">[3/3]</span></h2>
  
193 <div·class="memitem">193 <div·class="memitem">
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207 ··········<td></td>207 ··········<td></td>
208 ········</tr>208 ········</tr>
209 ······</table>209 ······</table>
210 </div><div·class="memdoc">210 </div><div·class="memdoc">
  
211 <p>Detailed·constructor.·</p>211 <p>Detailed·constructor.·</p>
  
212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>212 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00098">98</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
213 </div>213 </div>
214 </div>214 </div>
215 <a·id="gaa2415eee3f9a99c803caf4dda4ed6187"·name="gaa2415eee3f9a99c803caf4dda4ed6187"></a>215 <a·id="gaa2415eee3f9a99c803caf4dda4ed6187"·name="gaa2415eee3f9a99c803caf4dda4ed6187"></a>
216 <h2·class="memtitle"><span·class="permalink"><a·href="#gaa2415eee3f9a99c803caf4dda4ed6187">&#9670;&#160;</a></span>~ParsedFunction()</h2>216 <h2·class="memtitle"><span·class="permalink"><a·href="#gaa2415eee3f9a99c803caf4dda4ed6187">&#9670;&#160;</a></span>~ParsedFunction()</h2>
  
217 <div·class="memitem">217 <div·class="memitem">
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230 ··········<td></td>230 ··········<td></td>
231 ········</tr>231 ········</tr>
232 ······</table>232 ······</table>
233 </div><div·class="memdoc">233 </div><div·class="memdoc">
  
234 <p>Destructor.·</p>234 <p>Destructor.·</p>
  
235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>235 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00116">116</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
236 </div>236 </div>
237 </div>237 </div>
238 <a·id="ga1cece59ce93d2f5c285433661cc61b64"·name="ga1cece59ce93d2f5c285433661cc61b64"></a>238 <a·id="ga1cece59ce93d2f5c285433661cc61b64"·name="ga1cece59ce93d2f5c285433661cc61b64"></a>
239 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1cece59ce93d2f5c285433661cc61b64">&#9670;&#160;</a></span>initTable()</h2>239 <h2·class="memtitle"><span·class="permalink"><a·href="#ga1cece59ce93d2f5c285433661cc61b64">&#9670;&#160;</a></span>initTable()</h2>
  
240 <div·class="memitem">240 <div·class="memitem">
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252 ··········<td·class="paramname"></td><td>)</td>252 ··········<td·class="paramname"></td><td>)</td>
253 ··········<td></td>253 ··········<td></td>
254 ········</tr>254 ········</tr>
255 ······</table>255 ······</table>
256 </div><div·class="memdoc">256 </div><div·class="memdoc">
257 <p>This·function·initializes·the·function·table·and·the·constant·table·of·our·parser.·</p>257 <p>This·function·initializes·the·function·table·and·the·constant·table·of·our·parser.·</p>
  
258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>258 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00140">140</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
259 </div>259 </div>
260 </div>260 </div>
261 <a·id="gabb7b065611b287419d3727d3accf230f"·name="gabb7b065611b287419d3727d3accf230f"></a>261 <a·id="gabb7b065611b287419d3727d3accf230f"·name="gabb7b065611b287419d3727d3accf230f"></a>
262 <h2·class="memtitle"><span·class="permalink"><a·href="#gabb7b065611b287419d3727d3accf230f">&#9670;&#160;</a></span>operator()()</h2>262 <h2·class="memtitle"><span·class="permalink"><a·href="#gabb7b065611b287419d3727d3accf230f">&#9670;&#160;</a></span>operator()()</h2>
  
263 <div·class="memitem">263 <div·class="memitem">
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280 <p>Evaluate·the·function·at·point·<picture><source·srcset="../../form_31_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$p$"·src="../../form_31.png"·width="8"·height="9"/></picture>.·</p><dl·class="exception"><dt>Exceptions</dt><dd>280 <p>Evaluate·the·function·at·point·<picture><source·srcset="../../form_31_dark.png"·media="(prefers-color-scheme:·dark)"/><img·class="formulaInl"·alt="$p$"·src="../../form_31.png"·width="8"·height="9"/></picture>.·</p><dl·class="exception"><dt>Exceptions</dt><dd>
281 ··<table·class="exception">281 ··<table·class="exception">
282 ····<tr><td·class="paramname"><a·class="el"·href="../../d7/d66/a03134.html">Exception::ParseError</a></td><td>if·a·syntax·error·was·encountered·</td></tr>282 ····<tr><td·class="paramname"><a·class="el"·href="../../d7/d66/a03134.html">Exception::ParseError</a></td><td>if·a·syntax·error·was·encountered·</td></tr>
283 ··</table>283 ··</table>
284 ··</dd>284 ··</dd>
285 </dl>285 </dl>
  
286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d0a/a00743_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d0/d0a/a00743_source.html">parsedFunction.h</a>.</p>286 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d03/a00254_source.html#l00121">121</a>·of·file·<a·class="el"·href="../../d7/d03/a00254_source.html">parsedFunction.h</a>.</p>
  
287 </div>287 </div>
288 </div>288 </div>
289 <h2·class="groupheader">Variable·Documentation</h2>289 <h2·class="groupheader">Variable·Documentation</h2>
290 <a·id="gab4963154357f64fd5ee363008e801f8b"·name="gab4963154357f64fd5ee363008e801f8b"></a>290 <a·id="gab4963154357f64fd5ee363008e801f8b"·name="gab4963154357f64fd5ee363008e801f8b"></a>
291 <h2·class="memtitle"><span·class="permalink"><a·href="#gab4963154357f64fd5ee363008e801f8b">&#9670;&#160;</a></span>ParsedFunctionConstants</h2>291 <h2·class="memtitle"><span·class="permalink"><a·href="#gab4963154357f64fd5ee363008e801f8b">&#9670;&#160;</a></span>ParsedFunctionConstants</h2>
  
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80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;80 <a·href="#pro-methods">Protected·Member·Functions</a>·&#124;
81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;81 <a·href="#pro-attribs">Protected·Attributes</a>·&#124;
82 <a·href="../../d7/d68/a07491.html">List·of·all·members</a>··</div>82 <a·href="../../d7/d68/a07491.html">List·of·all·members</a>··</div>
83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TrajectoryController·Class·Reference</div></div>83 ··<div·class="headertitle"><div·class="title">BALL::VIEW::TrajectoryController·Class·Reference</div></div>
84 </div><!--header-->84 </div><!--header-->
85 <div·class="contents">85 <div·class="contents">
  
86 <p><code>#include·&lt;<a·class="el"·href="../../db/ddf/a00164_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>86 <p><code>#include·&lt;<a·class="el"·href="../../dd/d86/a01367_source.html">BALL/VIEW/DATATYPE/standardDatasets.h</a>&gt;</code></p>
87 <div·class="dynheader">87 <div·class="dynheader">
88 Inheritance·diagram·for·BALL::VIEW::TrajectoryController:</div>88 Inheritance·diagram·for·BALL::VIEW::TrajectoryController:</div>
89 <div·class="dyncontent">89 <div·class="dyncontent">
90 ·<div·class="center">90 ·<div·class="center">
91 ··<img·src="../../df/dbf/a07494.png"·usemap="#BALL::VIEW::TrajectoryController_map"·alt=""/>91 ··<img·src="../../df/dbf/a07494.png"·usemap="#BALL::VIEW::TrajectoryController_map"·alt=""/>
92 ··<map·id="BALL::VIEW::TrajectoryController_map"·name="BALL::VIEW::TrajectoryController_map">92 ··<map·id="BALL::VIEW::TrajectoryController_map"·name="BALL::VIEW::TrajectoryController_map">
93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="105,56,305,80"/>93 <area·href="../../de/dbd/a07482.html"·alt="BALL::VIEW::DatasetController"·shape="rect"·coords="105,56,305,80"/>
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248 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>248 <tr·class="separator:a46b0de6e9bcfec3956c84916735c3bf8·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
249 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>249 <tr·class="memitem:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"·id="r_aaa2491f30f1aeaadf661ae391523d06a"><td·class="memItemLeft"·align="right"·valign="top">static·<a·class="el"·href="../../dc/dbb/a03262.html">Embeddable</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/dbb/a03262.html#aaa2491f30f1aeaadf661ae391523d06a">getInstance_</a>·(const·std::type_info·&amp;type,·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>·&amp;identifier)</td></tr>
250 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>250 <tr·class="separator:aaa2491f30f1aeaadf661ae391523d06a·inherit·pro_static_methods_a03262"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
251 </table>251 </table>
252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>252 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
253 <div·class="textblock"><p>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>253 <div·class="textblock"><p>Controller·base·class·for·one·type·of·<a·class="el"·href="../../dd/d74/a07478.html">Dataset</a>·</p>
  
254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>254 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00146">146</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>255 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
256 <a·id="a4cfde5ef6df33524ea309db9b6d57b68"·name="a4cfde5ef6df33524ea309db9b6d57b68"></a>256 <a·id="a4cfde5ef6df33524ea309db9b6d57b68"·name="a4cfde5ef6df33524ea309db9b6d57b68"></a>
257 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cfde5ef6df33524ea309db9b6d57b68">&#9670;&#160;</a></span>TrajectoryController()·<span·class="overload">[1/2]</span></h2>257 <h2·class="memtitle"><span·class="permalink"><a·href="#a4cfde5ef6df33524ea309db9b6d57b68">&#9670;&#160;</a></span>TrajectoryController()·<span·class="overload">[1/2]</span></h2>
  
258 <div·class="memitem">258 <div·class="memitem">
259 <div·class="memproto">259 <div·class="memproto">
260 ······<table·class="memname">260 ······<table·class="memname">
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568 ··</td>568 ··</td>
569 ··<td·class="mlabels-right">569 ··<td·class="mlabels-right">
570 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>570 <span·class="mlabels"><span·class="mlabel">protected</span></span>··</td>
571 ··</tr>571 ··</tr>
572 </table>572 </table>
573 </div><div·class="memdoc">573 </div><div·class="memdoc">
  
574 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>574 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00192">192</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
575 </div>575 </div>
576 </div>576 </div>
577 <a·id="a2e5d2f26fea6481565653e88c5f9d717"·name="a2e5d2f26fea6481565653e88c5f9d717"></a>577 <a·id="a2e5d2f26fea6481565653e88c5f9d717"·name="a2e5d2f26fea6481565653e88c5f9d717"></a>
578 <h2·class="memtitle"><span·class="permalink"><a·href="#a2e5d2f26fea6481565653e88c5f9d717">&#9670;&#160;</a></span>type</h2>578 <h2·class="memtitle"><span·class="permalink"><a·href="#a2e5d2f26fea6481565653e88c5f9d717">&#9670;&#160;</a></span>type</h2>
  
579 <div·class="memitem">579 <div·class="memitem">
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592 ··</td>592 ··</td>
593 ··<td·class="mlabels-right">593 ··<td·class="mlabels-right">
594 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>594 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
595 ··</tr>595 ··</tr>
596 </table>596 </table>
597 </div><div·class="memdoc">597 </div><div·class="memdoc">
  
598 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/ddf/a00164_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../db/ddf/a00164_source.html">standardDatasets.h</a>.</p>598 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d86/a01367_source.html#l00179">179</a>·of·file·<a·class="el"·href="../../dd/d86/a01367_source.html">standardDatasets.h</a>.</p>
  
599 </div>599 </div>
600 </div>600 </div>
601 </div><!--·contents·-->601 </div><!--·contents·-->
602 <!--·start·footer·part·-->602 <!--·start·footer·part·-->
603 <hr·class="footer"/><address·class="footer"><small>603 <hr·class="footer"/><address·class="footer"><small>
604 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8604 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;77 <a·href="#pub-static-attribs">Static·Public·Attributes</a>·&#124;
78 <a·href="../../d9/d65/a06711.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d65/a06711.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::AStarBondOrderStrategy::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d1/d6b/a01775_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../dd/d08/a01682_source.html">BALL/STRUCTURE/BONDORDERS/AStarBondOrderStrategy.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
85 Static·Public·Attributes</h2></td></tr>85 Static·Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a0914ca018263f2823a0e653377656291"·id="r_a0914ca018263f2823a0e653377656291"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html#a0914ca018263f2823a0e653377656291">HEURISTIC</a></td></tr>86 <tr·class="memitem:a0914ca018263f2823a0e653377656291"·id="r_a0914ca018263f2823a0e653377656291"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc1/a06714.html#a0914ca018263f2823a0e653377656291">HEURISTIC</a></td></tr>
87 <tr·class="separator:a0914ca018263f2823a0e653377656291"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a0914ca018263f2823a0e653377656291"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 </table>88 </table>
89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>89 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
90 <div·class="textblock">90 <div·class="textblock">
91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>91 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00048">48</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
92 </div><h2·class="groupheader">Member·Data·Documentation</h2>92 </div><h2·class="groupheader">Member·Data·Documentation</h2>
93 <a·id="a0914ca018263f2823a0e653377656291"·name="a0914ca018263f2823a0e653377656291"></a>93 <a·id="a0914ca018263f2823a0e653377656291"·name="a0914ca018263f2823a0e653377656291"></a>
94 <h2·class="memtitle"><span·class="permalink"><a·href="#a0914ca018263f2823a0e653377656291">&#9670;&#160;</a></span>HEURISTIC</h2>94 <h2·class="memtitle"><span·class="permalink"><a·href="#a0914ca018263f2823a0e653377656291">&#9670;&#160;</a></span>HEURISTIC</h2>
  
95 <div·class="memitem">95 <div·class="memitem">
96 <div·class="memproto">96 <div·class="memproto">
97 <table·class="mlabels">97 <table·class="mlabels">
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107 ··</td>107 ··</td>
108 ··<td·class="mlabels-right">108 ··<td·class="mlabels-right">
109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>109 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
110 ··</tr>110 ··</tr>
111 </table>111 </table>
112 </div><div·class="memdoc">112 </div><div·class="memdoc">
  
113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/d6b/a01775_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../d1/d6b/a01775_source.html">AStarBondOrderStrategy.h</a>.</p>113 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dd/d08/a01682_source.html#l00050">50</a>·of·file·<a·class="el"·href="../../dd/d08/a01682_source.html">AStarBondOrderStrategy.h</a>.</p>
  
114 </div>114 </div>
115 </div>115 </div>
116 </div><!--·contents·-->116 </div><!--·contents·-->
117 <!--·start·footer·part·-->117 <!--·start·footer·part·-->
118 <hr·class="footer"/><address·class="footer"><small>118 <hr·class="footer"/><address·class="footer"><small>
119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8119 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#nested-classes">Classes</a>·&#124;77 <a·href="#nested-classes">Classes</a>·&#124;
78 <a·href="#pub-types">Public·Types</a>·&#124;78 <a·href="#pub-types">Public·Types</a>·&#124;
79 <a·href="../../d3/d1b/a03227.html">List·of·all·members</a>··</div>79 <a·href="../../d3/d1b/a03227.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::Client·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>80 ··<div·class="headertitle"><div·class="title">BALL::Client·Class·Reference<div·class="ingroups"><a·class="el"·href="../../dd/d54/a02119.html">Foundation·Classes</a>·&raquo;·<a·class="el"·href="../../d8/db2/a02125.html">Concepts</a>·&raquo;·<a·class="el"·href="../../d1/d90/a02127.html">Object·Persistence.</a></div></div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>86 Classes</h2></td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/de7/a03234.html">InvalidClient</a></td></tr>
88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>88 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a></td></tr>
90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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121 <tr·class="separator:a9b1bb25373167fb5fb17039322703472"><td·class="memSeparator"·colspan="2">&#160;</td></tr>121 <tr·class="separator:a9b1bb25373167fb5fb17039322703472"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
122 <tr·class="memitem:a92181d5e507abe70f555fd7763326e45"·id="r_a92181d5e507abe70f555fd7763326e45"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc9/a03230.html#a92181d5e507abe70f555fd7763326e45">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>122 <tr·class="memitem:a92181d5e507abe70f555fd7763326e45"·id="r_a92181d5e507abe70f555fd7763326e45"><td·class="memItemLeft"·align="right"·valign="top">virtual·void&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/dc9/a03230.html#a92181d5e507abe70f555fd7763326e45">dump</a>·(std::ostream·&amp;s=std::cout,·<a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·depth=0)·const</td></tr>
123 <tr·class="separator:a92181d5e507abe70f555fd7763326e45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>123 <tr·class="separator:a92181d5e507abe70f555fd7763326e45"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
124 </table>124 </table>
125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>125 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
126 <div·class="textblock"><p><a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class.·The·class·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·introduces·a·rudimentary·interface·for·sending·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·to·the·visualization.·In·this·version·only·the·one·way·direction·from·this·client·to·the·visualization·is·possible.·In·the·future·there·is·also·a·bidirectional·data·exchange·intended.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·sent·two·times·than·the·graphical·representation·of·the·first·one·will·be·replaced·through·the·new·graphical·representation·of·the·second·one.·For·example·if·the·structure·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·continually·changed·by·a·program·so·the·visualization·of·this·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·changes·as·well.·The·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class·connects·to·the·Server·class·that·is·part·of·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·library.·See·Server·for·further·information.·</p><dl·class="section·see"><dt>See·also</dt><dd>Server·</dd></dl>126 <div·class="textblock"><p><a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class.·The·class·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·introduces·a·rudimentary·interface·for·sending·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·objects·to·the·visualization.·In·this·version·only·the·one·way·direction·from·this·client·to·the·visualization·is·possible.·In·the·future·there·is·also·a·bidirectional·data·exchange·intended.·If·a·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·sent·two·times·than·the·graphical·representation·of·the·first·one·will·be·replaced·through·the·new·graphical·representation·of·the·second·one.·For·example·if·the·structure·of·the·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·is·continually·changed·by·a·program·so·the·visualization·of·this·<a·class="el"·href="../../d8/deb/a03246.html">Composite</a>·changes·as·well.·The·<a·class="el"·href="../../df/dc9/a03230.html">Client</a>·class·connects·to·the·Server·class·that·is·part·of·the·<a·class="el"·href="../../d4/dc0/a02225.html">VIEW</a>·library.·See·Server·for·further·information.·</p><dl·class="section·see"><dt>See·also</dt><dd>Server·</dd></dl>
  
127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3c/a01418_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d4/d3c/a01418_source.html">client.h</a>.</p>127 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00047">47</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
128 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>128 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
129 <a·id="a15ba31a78d9ee10c7a58715fc53eddec"·name="a15ba31a78d9ee10c7a58715fc53eddec"></a>129 <a·id="a15ba31a78d9ee10c7a58715fc53eddec"·name="a15ba31a78d9ee10c7a58715fc53eddec"></a>
130 <h2·class="memtitle"><span·class="permalink"><a·href="#a15ba31a78d9ee10c7a58715fc53eddec">&#9670;&#160;</a></span>Command</h2>130 <h2·class="memtitle"><span·class="permalink"><a·href="#a15ba31a78d9ee10c7a58715fc53eddec">&#9670;&#160;</a></span>Command</h2>
  
131 <div·class="memitem">131 <div·class="memitem">
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148 </td></tr>148 </td></tr>
149 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"·name="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"></a>NUMBER_OF_COMMANDS&#160;</td><td·class="fielddoc"><p>next·free·command.·</p>149 <tr><td·class="fieldname"><a·id="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"·name="a15ba31a78d9ee10c7a58715fc53eddeca70aa5d255f867d6d6a6ad863e1c985cd"></a>NUMBER_OF_COMMANDS&#160;</td><td·class="fielddoc"><p>next·free·command.·</p>
150 </td></tr>150 </td></tr>
151 </table>151 </table>
  
152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3c/a01418_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d4/d3c/a01418_source.html">client.h</a>.</p>152 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00057">57</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
  
153 </div>153 </div>
154 </div>154 </div>
155 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 <h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="adfa2b48ab5e232994e0399454766edff"·name="adfa2b48ab5e232994e0399454766edff"></a>156 <a·id="adfa2b48ab5e232994e0399454766edff"·name="adfa2b48ab5e232994e0399454766edff"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#adfa2b48ab5e232994e0399454766edff">&#9670;&#160;</a></span>Client()·<span·class="overload">[1/2]</span></h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#adfa2b48ab5e232994e0399454766edff">&#9670;&#160;</a></span>Client()·<span·class="overload">[1/2]</span></h2>
  
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8 <title>BALL:·geneticAlgorithm.h·File·Reference</title>8 <title>BALL:·datasetControl.h·File·Reference</title>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_9ac0f0b7a98b02a90c63a46e4cfd77d5.html">DOCKING</a></li><li·class="navelem"><a·class="el"·href="../../dir_0c7a6b3e443e6f200d85971bee20841b.html">GENETICDOCK</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_504f2ca7bf32f66c7a399104e9716b38.html">VIEW</a></li><li·class="navelem"><a·class="el"·href="../../dir_7fa44113cd739129ab2fe06a08ef4cac.html">WIDGETS</a></li>··</ul>
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75 ··<div·class="summary">75 ··<div·class="summary">
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77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">geneticAlgorithm.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">datasetControl.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&quot;<a·class="el"·href="../../d0/d39/a01112_source.html">geneticIndividual.h</a>&quot;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/KERNEL/system.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d0/dc8/a01124_source.html">BALL/DOCKING/GENETICDOCK/parameter.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d5/d3e/a01139_source.html">BALL/VIEW/WIDGETS/genericControl.h</a>&gt;</code><br·/>
83 <code>#include·&lt;vector&gt;</code><br·/> 
84 <code>#include·&lt;utility&gt;</code><br·/>83 <code>#include·&lt;QtWidgets/QTreeWidgetItem&gt;</code><br·/>
85 <code>#include·&lt;random&gt;</code><br·/> 
86 </div>84 </div>
87 <p><a·href="../../df/dd5/a01115_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/dd5/a01115_source.html">Go·to·the·source·code·of·this·file.</a></p>
88 <table·class="memberdecls">86 <table·class="memberdecls">
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95 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
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79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Protein·&gt;·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::KernelPredicate&lt;·Protein·&gt;·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d3/dbe/a20359_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../df/d53/a20362_source.html">BALL/KERNEL/predicate.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
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85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/dd7/a04586.png"·usemap="#BALL::KernelPredicate_3C_20Protein_20_3E_map"·alt=""/>87 ··<img·src="../../df/dd7/a04586.png"·usemap="#BALL::KernelPredicate_3C_20Protein_20_3E_map"·alt=""/>
88 ··<map·id="BALL::KernelPredicate_3C_20Protein_20_3E_map"·name="BALL::KernelPredicate_3C_20Protein_20_3E_map">88 ··<map·id="BALL::KernelPredicate_3C_20Protein_20_3E_map"·name="BALL::KernelPredicate_3C_20Protein_20_3E_map">
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117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>117 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
118 <div·class="textblock">118 <div·class="textblock">
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00097">97</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>120 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
121 <a·id="a6c3e4f8a248c566380ea6c08fdf391e8"·name="a6c3e4f8a248c566380ea6c08fdf391e8"></a>121 <a·id="a6c3e4f8a248c566380ea6c08fdf391e8"·name="a6c3e4f8a248c566380ea6c08fdf391e8"></a>
122 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c3e4f8a248c566380ea6c08fdf391e8">&#9670;&#160;</a></span>~KernelPredicate()</h2>122 <h2·class="memtitle"><span·class="permalink"><a·href="#a6c3e4f8a248c566380ea6c08fdf391e8">&#9670;&#160;</a></span>~KernelPredicate()</h2>
  
123 <div·class="memitem">123 <div·class="memitem">
124 <div·class="memproto">124 <div·class="memproto">
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137 ··</td>137 ··</td>
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139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">inline</span><span·class="mlabel">virtual</span></span>··</td>
140 ··</tr>140 ··</tr>
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143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/dbe/a20359_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../d3/dbe/a20359_source.html">KERNEL/predicate.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../df/d53/a20362_source.html#l00104">104</a>·of·file·<a·class="el"·href="../../df/d53/a20362_source.html">KERNEL/predicate.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 <h2·class="groupheader">Member·Function·Documentation</h2>146 <h2·class="groupheader">Member·Function·Documentation</h2>
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172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>172 <p><a·class="el"·href="../../d8/d89/a05566.html">Constant</a>·virtual·<a·class="el"·href="../../d5/de0/a02220.html">RTTI</a>·evaluation·operator.·</p>
  
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80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog::Compare_·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::VIEW::DockResultDialog::Compare_·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d7/ddd/a01223_source.html">BALL/VIEW/DIALOGS/dockResultDialog.h</a>&gt;</code></p>
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98 Public·Attributes</h2></td></tr>98 Public·Attributes</h2></td></tr>
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100 <tr·class="separator:a30d45774103b2c5add6b9bdf46d8e416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>100 <tr·class="separator:a30d45774103b2c5add6b9bdf46d8e416"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
101 </table>101 </table>
102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>102 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
103 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../df/d2f/a07578.html">DockResultDialog</a>.·This·class·is·needed·for·the·sorting·of·the·table.·The·rows·of·the·table·should·be·sorted·by·a·certain·column.·</p>103 <div·class="textblock"><p>Nested·class·in·<a·class="el"·href="../../df/d2f/a07578.html">DockResultDialog</a>.·This·class·is·needed·for·the·sorting·of·the·table.·The·rows·of·the·table·should·be·sorted·by·a·certain·column.·</p>
  
104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">dockResultDialog.h</a>.</p>104 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00169">169</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>105 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
106 <a·id="a3305445f19feb140710eb903ad18758c"·name="a3305445f19feb140710eb903ad18758c"></a>106 <a·id="a3305445f19feb140710eb903ad18758c"·name="a3305445f19feb140710eb903ad18758c"></a>
107 <h2·class="memtitle"><span·class="permalink"><a·href="#a3305445f19feb140710eb903ad18758c">&#9670;&#160;</a></span>Compare_()·<span·class="overload">[1/2]</span></h2>107 <h2·class="memtitle"><span·class="permalink"><a·href="#a3305445f19feb140710eb903ad18758c">&#9670;&#160;</a></span>Compare_()·<span·class="overload">[1/2]</span></h2>
  
108 <div·class="memitem">108 <div·class="memitem">
109 <div·class="memproto">109 <div·class="memproto">
110 ······<table·class="memname">110 ······<table·class="memname">
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200 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::VIEW::DockResultDialog::Compare_::index_</td>200 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::VIEW::DockResultDialog::Compare_::index_</td>
201 ········</tr>201 ········</tr>
202 ······</table>202 ······</table>
203 </div><div·class="memdoc">203 </div><div·class="memdoc">
204 <p>Index·of·the·entry·by·which·the·two·vectors·in·<a·class="el"·href="../../">operator()·</a>·are·compared.·</p>204 <p>Index·of·the·entry·by·which·the·two·vectors·in·<a·class="el"·href="../../">operator()·</a>·are·compared.·</p>
  
205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00191">191</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">dockResultDialog.h</a>.</p>205 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/ddd/a01223_source.html#l00191">191</a>·of·file·<a·class="el"·href="../../d7/ddd/a01223_source.html">dockResultDialog.h</a>.</p>
  
206 </div>206 </div>
207 </div>207 </div>
208 </div><!--·contents·-->208 </div><!--·contents·-->
209 <!--·start·footer·part·-->209 <!--·start·footer·part·-->
210 <hr·class="footer"/><address·class="footer"><small>210 <hr·class="footer"/><address·class="footer"><small>
211 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8211 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../df/d5e/a04699.html">List·of·all·members</a>··</div>78 <a·href="../../df/d5e/a04699.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::NucleotidePredicate·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::NucleotidePredicate·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d45/a00791_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../de/d4e/a00500_source.html">BALL/KERNEL/standardPredicates.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::NucleotidePredicate:</div>84 Inheritance·diagram·for·BALL::NucleotidePredicate:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/dd9/a04702.png"·usemap="#BALL::NucleotidePredicate_map"·alt=""/>87 ··<img·src="../../df/dd9/a04702.png"·usemap="#BALL::NucleotidePredicate_map"·alt=""/>
88 ··<map·id="BALL::NucleotidePredicate_map"·name="BALL::NucleotidePredicate_map">88 ··<map·id="BALL::NucleotidePredicate_map"·name="BALL::NucleotidePredicate_map">
89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>89 <area·href="../../d3/dae/a04518.html"·alt="BALL::ExpressionPredicate"·shape="rect"·coords="0,112,204,136"/>
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126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>126 <tr·class="inherit_header·pro_attribs_a04518"><td·colspan="2"·onclick="javascript:toggleInherit('pro_attribs_a04518')"><img·src="../../closed.png"·alt="-"/>&#160;Protected·Attributes·inherited·from·<a·class="el"·href="../../d3/dae/a04518.html">BALL::ExpressionPredicate</a></td></tr>
127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>127 <tr·class="memitem:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"·id="r_a7c02248450796be229fe064cf4186498"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d3/dae/a04518.html#a7c02248450796be229fe064cf4186498">argument_</a></td></tr>
128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>128 <tr·class="separator:a7c02248450796be229fe064cf4186498·inherit·pro_attribs_a04518"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
129 </table>129 </table>
130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>130 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
131 <div·class="textblock"><p>Predicate·indicating·nucleotide·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·nucleotide.·</p>131 <div·class="textblock"><p>Predicate·indicating·nucleotide·atoms.·Returns·<code>true</code>,·if·the·atom·belongs·to·a·nucleotide.·</p>
  
132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d45/a00791_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../d4/d45/a00791_source.html">standardPredicates.h</a>.</p>132 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d4e/a00500_source.html#l00307">307</a>·of·file·<a·class="el"·href="../../de/d4e/a00500_source.html">standardPredicates.h</a>.</p>
133 </div><h2·class="groupheader">Member·Function·Documentation</h2>133 </div><h2·class="groupheader">Member·Function·Documentation</h2>
134 <a·id="a9ea45c13872bc9b6ae804f237a01827f"·name="a9ea45c13872bc9b6ae804f237a01827f"></a>134 <a·id="a9ea45c13872bc9b6ae804f237a01827f"·name="a9ea45c13872bc9b6ae804f237a01827f"></a>
135 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ea45c13872bc9b6ae804f237a01827f">&#9670;&#160;</a></span>operator()()</h2>135 <h2·class="memtitle"><span·class="permalink"><a·href="#a9ea45c13872bc9b6ae804f237a01827f">&#9670;&#160;</a></span>operator()()</h2>
  
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65 </div>65 </div>
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67 </div>67 </div>
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_cd77ba863c89b4eff983a2fc053c33c9.html">PARAMETER</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">potential1210.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">shiftModel.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/d0d/a01280_source.html">BALL/FORMAT/parameterSection.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../d2/d34/a01679_source.html">BALL/MOLMEC/PARAMETER/atomTypes.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d87/a00689_source.html">BALL/DATATYPE/options.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../d4/d95/a00989_source.html">BALL/FORMAT/parameters.h</a>&gt;</code><br·/>
83 </div>84 </div>
84 <p><a·href="../../df/ddd/a01655_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/ddd/a01655_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">86 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>88 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d84/a05394.html">BALL::Potential1210</a></td></tr>89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d22/a05526.html">BALL::ShiftModel</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
90 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d45/a05398.html">BALL::Potential1210::Values</a></td></tr> 
91 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
92 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d9/d61/a05402.html">BALL::Potential1210::Data</a></td></tr> 
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table><table·class="memberdecls">91 </table><table·class="memberdecls">
95 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
96 Namespaces</h2></td></tr>93 Namespaces</h2></td></tr>
97 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
98 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
99 </table>96 </table>
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../dd/d87/a03235.html">List·of·all·members</a>··</div>78 <a·href="../../dd/d87/a03235.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::Client::NoPersistentObject·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::Client::NoPersistentObject·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d4/d3c/a01418_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d8/d1c/a00824_source.html">BALL/CONCEPT/client.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::Client::NoPersistentObject:</div>84 Inheritance·diagram·for·BALL::Client::NoPersistentObject:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/ddd/a03238.png"·usemap="#BALL::Client::NoPersistentObject_map"·alt=""/>87 ··<img·src="../../df/ddd/a03238.png"·usemap="#BALL::Client::NoPersistentObject_map"·alt=""/>
88 ··<map·id="BALL::Client::NoPersistentObject_map"·name="BALL::Client::NoPersistentObject_map">88 ··<map·id="BALL::Client::NoPersistentObject_map"·name="BALL::Client::NoPersistentObject_map">
89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>89 <area·href="../../d4/d47/a03050.html"·alt="BALL::Exception::GeneralException"·shape="rect"·coords="0,56,210,80"/>
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139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a>·exception·class.·This·exception·will·be·thrown·whenever·an·object·that·is·not·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·will·be·tried·to·sent·through·the·client.·Only·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>'s·can·be·sent·through·this·client.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>143 <div·class="textblock"><p><a·class="el"·href="../../df/ddd/a03238.html">NoPersistentObject</a>·exception·class.·This·exception·will·be·thrown·whenever·an·object·that·is·not·a·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>·will·be·tried·to·sent·through·the·client.·Only·<a·class="el"·href="../../da/d6e/a03314.html">PersistentObject</a>'s·can·be·sent·through·this·client.·</p><dl·class="section·see"><dt>See·also</dt><dd><a·class="el"·href="../../d4/d47/a03050.html">Exception::GeneralException</a>·<br··/>
144 ·</dd></dl>144 ·</dd></dl>
  
145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d4/d3c/a01418_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d4/d3c/a01418_source.html">client.h</a>.</p>145 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d8/d1c/a00824_source.html#l00091">91</a>·of·file·<a·class="el"·href="../../d8/d1c/a00824_source.html">client.h</a>.</p>
146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>146 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
147 <a·id="a6640ab76df799b5e32958c653897068f"·name="a6640ab76df799b5e32958c653897068f"></a>147 <a·id="a6640ab76df799b5e32958c653897068f"·name="a6640ab76df799b5e32958c653897068f"></a>
148 <h2·class="memtitle"><span·class="permalink"><a·href="#a6640ab76df799b5e32958c653897068f">&#9670;&#160;</a></span>NoPersistentObject()</h2>148 <h2·class="memtitle"><span·class="permalink"><a·href="#a6640ab76df799b5e32958c653897068f">&#9670;&#160;</a></span>NoPersistentObject()</h2>
  
149 <div·class="memitem">149 <div·class="memitem">
150 <div·class="memproto">150 <div·class="memproto">
151 ······<table·class="memname">151 ······<table·class="memname">
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79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Default·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::SDGenerator::Default·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··82 <p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.··
83 ·<a·href="../../df/ddd/a07150.html#details">More...</a></p>83 ·<a·href="../../df/ddd/a07150.html#details">More...</a></p>
  
84 <p><code>#include·&lt;<a·class="el"·href="../../d3/d4c/a01724_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>84 <p><code>#include·&lt;<a·class="el"·href="../../d5/da8/a01865_source.html">BALL/STRUCTURE/sdGenerator.h</a>&gt;</code></p>
85 <table·class="memberdecls">85 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-static-attribs"·name="pub-static-attribs"></a>
87 Static·Public·Attributes</h2></td></tr>87 Static·Public·Attributes</h2></td></tr>
88 <tr·class="memitem:a7d19c8ec7edb7a95763af700de2f5a38"·id="r_a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#a7d19c8ec7edb7a95763af700de2f5a38">SHOW_HYDROGENS</a></td></tr>88 <tr·class="memitem:a7d19c8ec7edb7a95763af700de2f5a38"·id="r_a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../d5/d59/a09258.html">bool</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#a7d19c8ec7edb7a95763af700de2f5a38">SHOW_HYDROGENS</a></td></tr>
89 <tr·class="separator:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a7d19c8ec7edb7a95763af700de2f5a38"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:af71c273466f0cfb3600ec93a00082da0"·id="r_af71c273466f0cfb3600ec93a00082da0"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#af71c273466f0cfb3600ec93a00082da0">STANDARD_BOND_LENGTH</a></td></tr>90 <tr·class="memitem:af71c273466f0cfb3600ec93a00082da0"·id="r_af71c273466f0cfb3600ec93a00082da0"><td·class="memItemLeft"·align="right"·valign="top">static·const·<a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/ddd/a07150.html#af71c273466f0cfb3600ec93a00082da0">STANDARD_BOND_LENGTH</a></td></tr>
91 <tr·class="separator:af71c273466f0cfb3600ec93a00082da0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>91 <tr·class="separator:af71c273466f0cfb3600ec93a00082da0"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
92 </table>92 </table>
93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock"><p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>94 <div·class="textblock"><p><a·class="el"·href="../../df/ddd/a07150.html"·title="Default·values·for·options.">Default</a>·values·for·options.·</p>
  
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00074">74</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a7d19c8ec7edb7a95763af700de2f5a38"·name="a7d19c8ec7edb7a95763af700de2f5a38"></a>97 <a·id="a7d19c8ec7edb7a95763af700de2f5a38"·name="a7d19c8ec7edb7a95763af700de2f5a38"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d19c8ec7edb7a95763af700de2f5a38">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a7d19c8ec7edb7a95763af700de2f5a38">&#9670;&#160;</a></span>SHOW_HYDROGENS</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 <table·class="mlabels">101 <table·class="mlabels">
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113 ··</td>113 ··</td>
114 ··<td·class="mlabels-right">114 ··<td·class="mlabels-right">
115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>115 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
116 ··</tr>116 ··</tr>
117 </table>117 </table>
118 </div><div·class="memdoc">118 </div><div·class="memdoc">
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00076">76</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <a·id="af71c273466f0cfb3600ec93a00082da0"·name="af71c273466f0cfb3600ec93a00082da0"></a>122 <a·id="af71c273466f0cfb3600ec93a00082da0"·name="af71c273466f0cfb3600ec93a00082da0"></a>
123 <h2·class="memtitle"><span·class="permalink"><a·href="#af71c273466f0cfb3600ec93a00082da0">&#9670;&#160;</a></span>STANDARD_BOND_LENGTH</h2>123 <h2·class="memtitle"><span·class="permalink"><a·href="#af71c273466f0cfb3600ec93a00082da0">&#9670;&#160;</a></span>STANDARD_BOND_LENGTH</h2>
  
124 <div·class="memitem">124 <div·class="memitem">
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137 ··</td>137 ··</td>
138 ··<td·class="mlabels-right">138 ··<td·class="mlabels-right">
139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>139 <span·class="mlabels"><span·class="mlabel">static</span></span>··</td>
140 ··</tr>140 ··</tr>
141 </table>141 </table>
142 </div><div·class="memdoc">142 </div><div·class="memdoc">
  
143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d4c/a01724_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d3/d4c/a01724_source.html">sdGenerator.h</a>.</p>143 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d5/da8/a01865_source.html#l00078">78</a>·of·file·<a·class="el"·href="../../d5/da8/a01865_source.html">sdGenerator.h</a>.</p>
  
144 </div>144 </div>
145 </div>145 </div>
146 </div><!--·contents·-->146 </div><!--·contents·-->
147 <!--·start·footer·part·-->147 <!--·start·footer·part·-->
148 <hr·class="footer"/><address·class="footer"><small>148 <hr·class="footer"/><address·class="footer"><small>
149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8149 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;77 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
78 <a·href="../../d4/d87/a03963.html">List·of·all·members</a>··</div>78 <a·href="../../d4/d87/a03963.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::BondStruct·Struct·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::MOL2File::BondStruct·Struct·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../db/dec/a01337_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d0/d85/a00908_source.html">BALL/FORMAT/MOL2File.h</a>&gt;</code></p>
83 <table·class="memberdecls">83 <table·class="memberdecls">
84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>84 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
85 Public·Attributes</h2></td></tr>85 Public·Attributes</h2></td></tr>
86 <tr·class="memitem:a904e9e9f5dff510c7cbd141a3680c47a"·id="r_a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a904e9e9f5dff510c7cbd141a3680c47a">atom1</a></td></tr>86 <tr·class="memitem:a904e9e9f5dff510c7cbd141a3680c47a"·id="r_a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a904e9e9f5dff510c7cbd141a3680c47a">atom1</a></td></tr>
87 <tr·class="separator:a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>87 <tr·class="separator:a904e9e9f5dff510c7cbd141a3680c47a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
88 <tr·class="memitem:a3383a288c585deb925b2caef275c9015"·id="r_a3383a288c585deb925b2caef275c9015"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a3383a288c585deb925b2caef275c9015">atom2</a></td></tr>88 <tr·class="memitem:a3383a288c585deb925b2caef275c9015"·id="r_a3383a288c585deb925b2caef275c9015"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#a3383a288c585deb925b2caef275c9015">atom2</a></td></tr>
89 <tr·class="separator:a3383a288c585deb925b2caef275c9015"><td·class="memSeparator"·colspan="2">&#160;</td></tr>89 <tr·class="separator:a3383a288c585deb925b2caef275c9015"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 <tr·class="memitem:ad5baf6fd22fbc32b6d74f414f0b8b9b6"·id="r_ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#ad5baf6fd22fbc32b6d74f414f0b8b9b6">type</a></td></tr>90 <tr·class="memitem:ad5baf6fd22fbc32b6d74f414f0b8b9b6"·id="r_ad5baf6fd22fbc32b6d74f414f0b8b9b6"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/dc5/a03602.html">String</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de5/a03966.html#ad5baf6fd22fbc32b6d74f414f0b8b9b6">type</a></td></tr>
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93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>93 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
94 <div·class="textblock">94 <div·class="textblock">
95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>95 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00149">149</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
96 </div><h2·class="groupheader">Member·Data·Documentation</h2>96 </div><h2·class="groupheader">Member·Data·Documentation</h2>
97 <a·id="a904e9e9f5dff510c7cbd141a3680c47a"·name="a904e9e9f5dff510c7cbd141a3680c47a"></a>97 <a·id="a904e9e9f5dff510c7cbd141a3680c47a"·name="a904e9e9f5dff510c7cbd141a3680c47a"></a>
98 <h2·class="memtitle"><span·class="permalink"><a·href="#a904e9e9f5dff510c7cbd141a3680c47a">&#9670;&#160;</a></span>atom1</h2>98 <h2·class="memtitle"><span·class="permalink"><a·href="#a904e9e9f5dff510c7cbd141a3680c47a">&#9670;&#160;</a></span>atom1</h2>
  
99 <div·class="memitem">99 <div·class="memitem">
100 <div·class="memproto">100 <div·class="memproto">
101 ······<table·class="memname">101 ······<table·class="memname">
102 ········<tr>102 ········<tr>
103 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom1</td>103 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom1</td>
104 ········</tr>104 ········</tr>
105 ······</table>105 ······</table>
106 </div><div·class="memdoc">106 </div><div·class="memdoc">
  
107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>107 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00151">151</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
108 </div>108 </div>
109 </div>109 </div>
110 <a·id="a3383a288c585deb925b2caef275c9015"·name="a3383a288c585deb925b2caef275c9015"></a>110 <a·id="a3383a288c585deb925b2caef275c9015"·name="a3383a288c585deb925b2caef275c9015"></a>
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112 <div·class="memitem">112 <div·class="memitem">
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121 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom2</td>121 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a82ff7480a7f116784f9ee4ce6b1dbc93">Position</a>·BALL::MOL2File::BondStruct::atom2</td>
122 ········</tr>122 ········</tr>
123 ······</table>123 ······</table>
124 </div><div·class="memdoc">124 </div><div·class="memdoc">
  
125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>125 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00152">152</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
126 </div>126 </div>
127 </div>127 </div>
128 <a·id="ad5baf6fd22fbc32b6d74f414f0b8b9b6"·name="ad5baf6fd22fbc32b6d74f414f0b8b9b6"></a>128 <a·id="ad5baf6fd22fbc32b6d74f414f0b8b9b6"·name="ad5baf6fd22fbc32b6d74f414f0b8b9b6"></a>
129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5baf6fd22fbc32b6d74f414f0b8b9b6">&#9670;&#160;</a></span>type</h2>129 <h2·class="memtitle"><span·class="permalink"><a·href="#ad5baf6fd22fbc32b6d74f414f0b8b9b6">&#9670;&#160;</a></span>type</h2>
  
130 <div·class="memitem">130 <div·class="memitem">
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135 ······<table·class="memname">135 ······<table·class="memname">
136 ········<tr>136 ········<tr>
137 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::BondStruct::type</td>137 ··········<td·class="memname"><a·class="el"·href="../../de/dc5/a03602.html">String</a>·BALL::MOL2File::BondStruct::type</td>
138 ········</tr>138 ········</tr>
139 ······</table>139 ······</table>
140 </div><div·class="memdoc">140 </div><div·class="memdoc">
  
141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../db/dec/a01337_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../db/dec/a01337_source.html">MOL2File.h</a>.</p>141 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d0/d85/a00908_source.html#l00153">153</a>·of·file·<a·class="el"·href="../../d0/d85/a00908_source.html">MOL2File.h</a>.</p>
  
142 </div>142 </div>
143 </div>143 </div>
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145 <!--·start·footer·part·-->145 <!--·start·footer·part·-->
146 <hr·class="footer"/><address·class="footer"><small>146 <hr·class="footer"/><address·class="footer"><small>
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77 <a·href="#pub-types">Public·Types</a>·&#124;77 <a·href="#pub-types">Public·Types</a>·&#124;
78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;78 <a·href="#pub-attribs">Public·Attributes</a>·&#124;
79 <a·href="../../dc/d3f/a06331.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d3f/a06331.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::PLP::NonBondedPairData·Struct·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::PLP::NonBondedPairData·Struct·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d9/de8/a02006_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../d3/d1e/a02093_source.html">BALL/SCORING/COMPONENTS/PLP.h</a>&gt;</code></p>
84 <table·class="memberdecls">84 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-types"·name="pub-types"></a>
86 Public·Types</h2></td></tr>86 Public·Types</h2></td></tr>
87 <tr·class="memitem:a6b4a1b61024d8df574254d2620344c82"·id="r_a6b4a1b61024d8df574254d2620344c82"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82">Type</a>·{·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a270e1f955743f0b46ee525d5ef66c596">steric</a>·=·087 <tr·class="memitem:a6b4a1b61024d8df574254d2620344c82"·id="r_a6b4a1b61024d8df574254d2620344c82"><td·class="memItemLeft"·align="right"·valign="top">enum·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82">Type</a>·{·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a270e1f955743f0b46ee525d5ef66c596">steric</a>·=·0
88 ,·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551">hydrogen_bond</a>·=·188 ,·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551">hydrogen_bond</a>·=·1
89 ,·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7">conformation</a>·=·289 ,·<a·class="el"·href="../../df/de8/a06334.html#a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7">conformation</a>·=·2
90 ·}</td></tr>90 ·}</td></tr>
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94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>94 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="pub-attribs"·name="pub-attribs"></a>
95 Public·Attributes</h2></td></tr>95 Public·Attributes</h2></td></tr>
96 <tr·class="memitem:ac3255fa069a5cab582f2665f8218183a"·id="r_ac3255fa069a5cab582f2665f8218183a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de8/a06334.html#ac3255fa069a5cab582f2665f8218183a">type</a></td></tr>96 <tr·class="memitem:ac3255fa069a5cab582f2665f8218183a"·id="r_ac3255fa069a5cab582f2665f8218183a"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de8/a06334.html#ac3255fa069a5cab582f2665f8218183a">type</a></td></tr>
97 <tr·class="separator:ac3255fa069a5cab582f2665f8218183a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:ac3255fa069a5cab582f2665f8218183a"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
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99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>99 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
100 <div·class="textblock">100 <div·class="textblock">
101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">PLP.h</a>.</p>101 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00021">21</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
102 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>102 </div><h2·class="groupheader">Member·Enumeration·Documentation</h2>
103 <a·id="a6b4a1b61024d8df574254d2620344c82"·name="a6b4a1b61024d8df574254d2620344c82"></a>103 <a·id="a6b4a1b61024d8df574254d2620344c82"·name="a6b4a1b61024d8df574254d2620344c82"></a>
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105 <div·class="memitem">105 <div·class="memitem">
106 <div·class="memproto">106 <div·class="memproto">
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113 </div><div·class="memdoc">113 </div><div·class="memdoc">
114 <table·class="fieldtable">114 <table·class="fieldtable">
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116 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551"·name="a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551"></a>hydrogen_bond&#160;</td><td·class="fielddoc"></td></tr>116 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551"·name="a6b4a1b61024d8df574254d2620344c82a9bfdb3a3e2dde763a7ef5db261294551"></a>hydrogen_bond&#160;</td><td·class="fielddoc"></td></tr>
117 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"·name="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"></a>conformation&#160;</td><td·class="fielddoc"></td></tr>117 <tr><td·class="fieldname"><a·id="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"·name="a6b4a1b61024d8df574254d2620344c82a7e52c3b517923c3603ccccf56ce009c7"></a>conformation&#160;</td><td·class="fielddoc"></td></tr>
118 </table>118 </table>
  
119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/de8/a02006_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d9/de8/a02006_source.html">PLP.h</a>.</p>119 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d3/d1e/a02093_source.html#l00025">25</a>·of·file·<a·class="el"·href="../../d3/d1e/a02093_source.html">PLP.h</a>.</p>
  
120 </div>120 </div>
121 </div>121 </div>
122 <h2·class="groupheader">Member·Data·Documentation</h2>122 <h2·class="groupheader">Member·Data·Documentation</h2>
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124 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3255fa069a5cab582f2665f8218183a">&#9670;&#160;</a></span>type</h2>124 <h2·class="memtitle"><span·class="permalink"><a·href="#ac3255fa069a5cab582f2665f8218183a">&#9670;&#160;</a></span>type</h2>
  
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132 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PLP::NonBondedPairData::type</td>132 ··········<td·class="memname"><a·class="el"·href="../../da/da2/a02217.html#a2a2e3db12eb28d34cc8bd86376326413">Size</a>·BALL::PLP::NonBondedPairData::type</td>
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9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">svmModel.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">genericMolFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d92/a00929_source.html">BALL/QSAR/classificationModel.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d5/d69/a00878_source.html">BALL/FORMAT/lineBasedFile.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../df/d88/a00962_source.html">BALL/QSAR/kernelModel.h</a>&gt;</code><br·/> 
83 <code>#include·&lt;<a·class="el"·href="../../d0/d3c/a00971_source.html">BALL/QSAR/nonlinearModel.h</a>&gt;</code><br·/> 
84 </div>82 </div>
85 <p><a·href="../../df/de9/a00923_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../df/de9/a00923_source.html">Go·to·the·source·code·of·this·file.</a></p>
86 <table·class="memberdecls">84 <table·class="memberdecls">
87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
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89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../de/de4/a06106.html">BALL::QSAR::SVMModel</a></td></tr>87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d0/d0b/a03910.html">BALL::GenericMolFile</a></td></tr>
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94 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
96 <tr·class="memitem:da/d3b/a02229"·id="r_da/d3b/a02229"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d3b/a02229.html">BALL::QSAR</a></td></tr> 
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102 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.898 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d3/ddb/a05679.html">List·of·all·members</a>··</div>78 <a·href="../../d3/ddb/a05679.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InconsistentUsage·Class·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">BALL::QSAR::Exception::InconsistentUsage·Class·Reference</div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../d9/d08/a20368_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../d7/d51/a20386_source.html">BALL/QSAR/exception.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::QSAR::Exception::InconsistentUsage:</div>84 Inheritance·diagram·for·BALL::QSAR::Exception::InconsistentUsage:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/de9/a05682.png"·usemap="#BALL::QSAR::Exception::InconsistentUsage_map"·alt=""/>87 ··<img·src="../../df/de9/a05682.png"·usemap="#BALL::QSAR::Exception::InconsistentUsage_map"·alt=""/>
88 ··<map·id="BALL::QSAR::Exception::InconsistentUsage_map"·name="BALL::QSAR::Exception::InconsistentUsage_map">88 ··<map·id="BALL::QSAR::Exception::InconsistentUsage_map"·name="BALL::QSAR::Exception::InconsistentUsage_map">
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138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>138 <tr·class="separator:a9827a1d2efdd1dd119b848d6e10c82d7·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>139 <tr·class="memitem:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"·id="r_a415b270e121a77e796024e30c5c2b24b"><td·class="memItemLeft"·align="right"·valign="top">std::string&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/d47/a03050.html#a415b270e121a77e796024e30c5c2b24b">message_</a></td></tr>
140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>140 <tr·class="separator:a415b270e121a77e796024e30c5c2b24b·inherit·pro_attribs_a03050"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
141 </table>141 </table>
142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>142 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
143 <div·class="textblock"><p>class·for·errors·that·are·due·to·inconsistent·use·of·methods·by·the·user;·e.g.·requesting·training·of·a·model·before·some·data·has·been·read·...·</p>143 <div·class="textblock"><p>class·for·errors·that·are·due·to·inconsistent·use·of·methods·by·the·user;·e.g.·requesting·training·of·a·model·before·some·data·has·been·read·...·</p>
  
144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d9/d08/a20368_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d9/d08/a20368_source.html">QSAR/exception.h</a>.</p>144 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d7/d51/a20386_source.html#l00045">45</a>·of·file·<a·class="el"·href="../../d7/d51/a20386_source.html">QSAR/exception.h</a>.</p>
145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>145 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
146 <a·id="aaaf79b043de7e647be119d549ffab184"·name="aaaf79b043de7e647be119d549ffab184"></a>146 <a·id="aaaf79b043de7e647be119d549ffab184"·name="aaaf79b043de7e647be119d549ffab184"></a>
147 <h2·class="memtitle"><span·class="permalink"><a·href="#aaaf79b043de7e647be119d549ffab184">&#9670;&#160;</a></span>InconsistentUsage()</h2>147 <h2·class="memtitle"><span·class="permalink"><a·href="#aaaf79b043de7e647be119d549ffab184">&#9670;&#160;</a></span>InconsistentUsage()</h2>
  
148 <div·class="memitem">148 <div·class="memitem">
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150 ······<table·class="memname">150 ······<table·class="memname">
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76 ··<div·class="summary">76 ··<div·class="summary">
77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="../../d9/d69/a08111.html">List·of·all·members</a>··</div>78 <a·href="../../d9/d69/a08111.html">List·of·all·members</a>··</div>
79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OccupancyColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>79 ··<div·class="headertitle"><div·class="title">BALL::VIEW::OccupancyColorProcessor·Class·Reference<div·class="ingroups"><a·class="el"·href="../../d8/d23/a02122.html">Visualisation</a>·&raquo;·<a·class="el"·href="../../d3/dcb/a02211.html">Model·Processors</a></div></div></div>
80 </div><!--header-->80 </div><!--header-->
81 <div·class="contents">81 <div·class="contents">
  
82 <p><code>#include·&lt;<a·class="el"·href="../../dc/d2f/a00425_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>82 <p><code>#include·&lt;<a·class="el"·href="../../da/d50/a01511_source.html">BALL/VIEW/MODELS/standardColorProcessor.h</a>&gt;</code></p>
83 <div·class="dynheader">83 <div·class="dynheader">
84 Inheritance·diagram·for·BALL::VIEW::OccupancyColorProcessor:</div>84 Inheritance·diagram·for·BALL::VIEW::OccupancyColorProcessor:</div>
85 <div·class="dyncontent">85 <div·class="dyncontent">
86 ·<div·class="center">86 ·<div·class="center">
87 ··<img·src="../../df/de9/a08114.png"·usemap="#BALL::VIEW::OccupancyColorProcessor_map"·alt=""/>87 ··<img·src="../../df/de9/a08114.png"·usemap="#BALL::VIEW::OccupancyColorProcessor_map"·alt=""/>
88 ··<map·id="BALL::VIEW::OccupancyColorProcessor_map"·name="BALL::VIEW::OccupancyColorProcessor_map">88 ··<map·id="BALL::VIEW::OccupancyColorProcessor_map"·name="BALL::VIEW::OccupancyColorProcessor_map">
89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>89 <area·href="../../d3/d76/a08046.html"·alt="BALL::VIEW::InterpolateColorProcessor"·shape="rect"·coords="0,168,364,192"/>
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269 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>269 <tr·class="separator:a3173044548dc6712c9c0b44ea584780b·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
270 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>270 <tr·class="memitem:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"·id="r_a18059f4f928525494f82e367a40cab58"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../de/ded/a09238.html">float</a>&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../db/d56/a08042.html#a18059f4f928525494f82e367a40cab58">min_spacing_</a></td></tr>
271 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>271 <tr·class="separator:a18059f4f928525494f82e367a40cab58·inherit·pro_attribs_a08042"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
272 </table>272 </table>
273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>273 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
274 <div·class="textblock"><p>Coloring·by·the·occupancy·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>274 <div·class="textblock"><p>Coloring·by·the·occupancy·of·atoms·from·a·<a·class="el"·href="../../d1/db3/a04402.html">PDBFile</a>·</p>
  
275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../dc/d2f/a00425_source.html#l00454">454</a>·of·file·<a·class="el"·href="../../dc/d2f/a00425_source.html">standardColorProcessor.h</a>.</p>275 <p·class="definition">Definition·at·line·<a·class="el"·href="../../da/d50/a01511_source.html#l00454">454</a>·of·file·<a·class="el"·href="../../da/d50/a01511_source.html">standardColorProcessor.h</a>.</p>
276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>276 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
277 <a·id="aa9f6e55ce05c8fec301600b8d3a8a500"·name="aa9f6e55ce05c8fec301600b8d3a8a500"></a>277 <a·id="aa9f6e55ce05c8fec301600b8d3a8a500"·name="aa9f6e55ce05c8fec301600b8d3a8a500"></a>
278 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9f6e55ce05c8fec301600b8d3a8a500">&#9670;&#160;</a></span>OccupancyColorProcessor()</h2>278 <h2·class="memtitle"><span·class="permalink"><a·href="#aa9f6e55ce05c8fec301600b8d3a8a500">&#9670;&#160;</a></span>OccupancyColorProcessor()</h2>
  
279 <div·class="memitem">279 <div·class="memitem">
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8 <title>BALL:·chargeRuleProcessor.h·File·Reference</title>8 <title>BALL:·experiment.h·File·Reference</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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65 </div>65 </div>
66 </div>66 </div>
67 </div>67 </div>
68 </div>68 </div>
  
69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b8515371800dba686fd2423ac8e20485.html">MOLMEC</a></li><li·class="navelem"><a·class="el"·href="../../dir_005ed1ee88b92ac0a0364846f1678e90.html">COMMON</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d01bce1c796ca6ff330cba91ed1aea15.html">NMR</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">chargeRuleProcessor.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">experiment.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/MOLMEC/COMMON/ruleProcessor.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d87/a01649_source.html">BALL/NMR/peakList.h</a>&gt;</code><br·/>
 82 <code>#include·&lt;<a·class="el"·href="../../d9/dfd/a01610_source.html">BALL/NMR/shiftModule.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;<a·class="el"·href="../../dc/df9/a00554_source.html">BALL/KERNEL/expression.h</a>&gt;</code><br·/>
82 </div>84 </div>
83 <p><a·href="../../df/dee/a01646_source.html">Go·to·the·source·code·of·this·file.</a></p>85 <p><a·href="../../df/dee/a01646_source.html">Go·to·the·source·code·of·this·file.</a></p>
84 <table·class="memberdecls">86 <table·class="memberdecls">
85 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>87 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
86 Classes</h2></td></tr>88 Classes</h2></td></tr>
 89 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/d30/a05490.html">BALL::Experiment&lt;·PeakListType·&gt;</a></td></tr>
 90 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
87 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/d0f/a05070.html">BALL::ChargeRuleProcessor</a></td></tr>91 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d5/d90/a05494.html">BALL::SimpleExperiment1D</a></td></tr>
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91 Namespaces</h2></td></tr>95 Namespaces</h2></td></tr>
92 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>96 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
93 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 98 </table><table·class="memberdecls">
 99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="typedef-members"·name="typedef-members"></a>
 100 Typedefs</h2></td></tr>
 101 <tr><td·colspan="2"><div·class="groupHeader">Convenience·typedefs</div></td></tr>
 102 <tr><td·colspan="2"><div·class="groupText"><p>&lt;&gt;·</p>
 103 </div></td></tr>
 104 <tr·class="memitem:a97eea5b3769e23e7de1f1cdeb83c314e"·id="r_a97eea5b3769e23e7de1f1cdeb83c314e"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d2/d30/a05490.html">Experiment</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#a147b02dc6fe8db6d8e0a607b551f3ab7">PeakList1D</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#a97eea5b3769e23e7de1f1cdeb83c314e">BALL::Experiment1D</a></td></tr>
 105 <tr·class="separator:a97eea5b3769e23e7de1f1cdeb83c314e"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 106 <tr·class="memitem:ae52ce629adf68a48f51eb37b6f593466"·id="r_ae52ce629adf68a48f51eb37b6f593466"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../d2/d30/a05490.html">Experiment</a>&lt;·<a·class="el"·href="../../da/da2/a02217.html#a837700ec6ab4be3bf83509e44e0844c5">PeakList3D</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html#ae52ce629adf68a48f51eb37b6f593466">BALL::Experiment3D</a></td></tr>
 107 <tr·class="separator:ae52ce629adf68a48f51eb37b6f593466"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
94 </table>108 </table>
95 </div><!--·contents·-->109 </div><!--·contents·-->
96 <!--·start·footer·part·-->110 <!--·start·footer·part·-->
97 <hr·class="footer"/><address·class="footer"><small>111 <hr·class="footer"/><address·class="footer"><small>
98 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8112 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;77 <a·href="#pub-methods">Public·Member·Functions</a>·&#124;
78 <a·href="#friends">Friends</a>·&#124;78 <a·href="#friends">Friends</a>·&#124;
79 <a·href="../../dc/d6c/a03635.html">List·of·all·members</a>··</div>79 <a·href="../../dc/d6c/a03635.html">List·of·all·members</a>··</div>
80 ··<div·class="headertitle"><div·class="title">BALL::ReferenceArea·Class·Reference</div></div>80 ··<div·class="headertitle"><div·class="title">BALL::ReferenceArea·Class·Reference</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
  
83 <p><code>#include·&lt;<a·class="el"·href="../../d1/dae/a01136_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>83 <p><code>#include·&lt;<a·class="el"·href="../../de/d40/a01592_source.html">BALL/DOCKING/COMMON/constraints.h</a>&gt;</code></p>
84 <div·class="dynheader">84 <div·class="dynheader">
85 Inheritance·diagram·for·BALL::ReferenceArea:</div>85 Inheritance·diagram·for·BALL::ReferenceArea:</div>
86 <div·class="dyncontent">86 <div·class="dyncontent">
87 ·<div·class="center">87 ·<div·class="center">
88 ··<img·src="../../df/df2/a03638.png"·usemap="#BALL::ReferenceArea_map"·alt=""/>88 ··<img·src="../../df/df2/a03638.png"·usemap="#BALL::ReferenceArea_map"·alt=""/>
89 ··<map·id="BALL::ReferenceArea_map"·name="BALL::ReferenceArea_map">89 ··<map·id="BALL::ReferenceArea_map"·name="BALL::ReferenceArea_map">
90 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,136,24"/>90 <area·href="../../dc/d12/a03634.html"·alt="BALL::Constraint"·shape="rect"·coords="0,0,136,24"/>
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149 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"·id="r_adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>149 <tr·class="memitem:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"·id="r_adc9a19236e19ed9c3c994d51f3176418"><td·class="memItemLeft"·align="right"·valign="top"><a·class="el"·href="../../d0/d64/a06166.html">ScoringFunction</a>·*&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dc/d12/a03634.html#adc9a19236e19ed9c3c994d51f3176418">scoring_function_</a></td></tr>
150 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"><td·class="memSeparator"·colspan="2">&#160;</td></tr>150 <tr·class="separator:adc9a19236e19ed9c3c994d51f3176418·inherit·pro_attribs_a03634"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
151 </table>151 </table>
152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>152 <a·name="details"·id="details"></a><h2·class="groupheader">Detailed·Description</h2>
153 <div·class="textblock"><p>ReferenceAreas·are·cuboids·specified·by·the·user·for·the·examined·target·structure.·A·given·number·of·ligand·atoms·or·a·given·fraction·of·the·ligand·atoms·should·be·located·within·these·areas,·so·that·docking·is·optimized·in·this·way.·</p>153 <div·class="textblock"><p>ReferenceAreas·are·cuboids·specified·by·the·user·for·the·examined·target·structure.·A·given·number·of·ligand·atoms·or·a·given·fraction·of·the·ligand·atoms·should·be·located·within·these·areas,·so·that·docking·is·optimized·in·this·way.·</p>
  
154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>154 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00071">71</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>155 </div><h2·class="groupheader">Constructor·&amp;·Destructor·Documentation</h2>
156 <a·id="aa3f57247439f3396a58c07e7535a7884"·name="aa3f57247439f3396a58c07e7535a7884"></a>156 <a·id="aa3f57247439f3396a58c07e7535a7884"·name="aa3f57247439f3396a58c07e7535a7884"></a>
157 <h2·class="memtitle"><span·class="permalink"><a·href="#aa3f57247439f3396a58c07e7535a7884">&#9670;&#160;</a></span>ReferenceArea()·<span·class="overload">[1/5]</span></h2>157 <h2·class="memtitle"><span·class="permalink"><a·href="#aa3f57247439f3396a58c07e7535a7884">&#9670;&#160;</a></span>ReferenceArea()·<span·class="overload">[1/5]</span></h2>
  
158 <div·class="memitem">158 <div·class="memitem">
159 <div·class="memproto">159 <div·class="memproto">
160 ······<table·class="memname">160 ······<table·class="memname">
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570 ··</td>570 ··</td>
571 ··<td·class="mlabels-right">571 ··<td·class="mlabels-right">
572 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>572 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
573 ··</tr>573 ··</tr>
574 </table>574 </table>
575 </div><div·class="memdoc">575 </div><div·class="memdoc">
  
576 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>576 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00137">137</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
577 </div>577 </div>
578 </div>578 </div>
579 <a·id="a9d19e2645ac621faf3cf153b4580834e"·name="a9d19e2645ac621faf3cf153b4580834e"></a>579 <a·id="a9d19e2645ac621faf3cf153b4580834e"·name="a9d19e2645ac621faf3cf153b4580834e"></a>
580 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&#160;</a></span>BALL::VIEW::DockRLDialog</h2>580 <h2·class="memtitle"><span·class="permalink"><a·href="#a9d19e2645ac621faf3cf153b4580834e">&#9670;&#160;</a></span>BALL::VIEW::DockRLDialog</h2>
  
581 <div·class="memitem">581 <div·class="memitem">
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594 ··</td>594 ··</td>
595 ··<td·class="mlabels-right">595 ··<td·class="mlabels-right">
596 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>596 <span·class="mlabels"><span·class="mlabel">friend</span></span>··</td>
597 ··</tr>597 ··</tr>
598 </table>598 </table>
599 </div><div·class="memdoc">599 </div><div·class="memdoc">
  
600 <p·class="definition">Definition·at·line·<a·class="el"·href="../../d1/dae/a01136_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../d1/dae/a01136_source.html">constraints.h</a>.</p>600 <p·class="definition">Definition·at·line·<a·class="el"·href="../../de/d40/a01592_source.html#l00138">138</a>·of·file·<a·class="el"·href="../../de/d40/a01592_source.html">constraints.h</a>.</p>
  
601 </div>601 </div>
602 </div>602 </div>
603 </div><!--·contents·-->603 </div><!--·contents·-->
604 <!--·start·footer·part·-->604 <!--·start·footer·part·-->
605 <hr·class="footer"/><address·class="footer"><small>605 <hr·class="footer"/><address·class="footer"><small>
606 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8606 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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75 <div·class="header">75 <div·class="header">
76 ··<div·class="headertitle"><div·class="title">EXTENSIONS·Directory·Reference</div></div>76 ··<div·class="headertitle"><div·class="title">EXTENSIONS·Directory·Reference</div></div>
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72 <h3><a·id="index_y"·name="index_y"></a>-·y·-</h3><ul>72 <h3><a·id="index_y"·name="index_y"></a>-·y·-</h3><ul>
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75 </div><!--·contents·-->75 </div><!--·contents·-->
76 <!--·start·footer·part·-->76 <!--·start·footer·part·-->
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70 <div·class="contents">70 <div·class="contents">
71 <div·class="textblock">Here·is·a·list·of·all·functions·with·links·to·the·files·they·belong·to:</div><ul>71 <div·class="textblock">Here·is·a·list·of·all·functions·with·links·to·the·files·they·belong·to:</div><ul>
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76 <li>RIGID_RMSD&#160;:&#160;<a·class="el"·href="dc/dee/a01166.html#a2d912b41394f3d399265d1ceb66befd3">poseClustering.h</a></li>76 <li>RIGID_RMSD&#160;:&#160;<a·class="el"·href="d5/d10/a01571.html#a2d912b41394f3d399265d1ceb66befd3">poseClustering.h</a></li>
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74 <li>SB&#160;:&#160;<a·class="el"·href="da/daf/a01568.html#a150a5a4e83d01b54e6d5610b8e718bd5">GAFFTypeProcessor.h</a></li>74 <li>SB&#160;:&#160;<a·class="el"·href="da/d45/a00011.html#a150a5a4e83d01b54e6d5610b8e718bd5">GAFFTypeProcessor.h</a></li>
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81 <li>TRIVIAL_COMPLETE_LINKAGE&#160;:&#160;<a·class="el"·href="dc/dee/a01166.html#a65236d5499a9929bf0de6d5b1f092948">poseClustering.h</a></li>81 <li>TRIVIAL_COMPLETE_LINKAGE&#160;:&#160;<a·class="el"·href="d5/d10/a01571.html#a65236d5499a9929bf0de6d5b1f092948">poseClustering.h</a></li>
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83 </div><!--·contents·-->83 </div><!--·contents·-->
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85 <hr·class="footer"/><address·class="footer"><small>85 <hr·class="footer"/><address·class="footer"><small>
86 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.886 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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843 B
./usr/share/doc/libball1.5/html/BALL/globals_type.html
    
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70 <div·class="contents">70 <div·class="contents">
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72 <h3><a·id="index_u"·name="index_u"></a>-·u·-</h3><ul>72 <h3><a·id="index_u"·name="index_u"></a>-·u·-</h3><ul>
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75 </div><!--·contents·-->75 </div><!--·contents·-->
76 <!--·start·footer·part·-->76 <!--·start·footer·part·-->
77 <hr·class="footer"/><address·class="footer"><small>77 <hr·class="footer"/><address·class="footer"><small>
78 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.878 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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./usr/share/doc/libball1.5/html/BALL/globals_v.html
    
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70 <div·class="contents">70 <div·class="contents">
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72 <h3><a·id="index_v"·name="index_v"></a>-·v·-</h3><ul>72 <h3><a·id="index_v"·name="index_v"></a>-·v·-</h3><ul>
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74 </ul>74 </ul>
75 </div><!--·contents·-->75 </div><!--·contents·-->
76 <!--·start·footer·part·-->76 <!--·start·footer·part·-->
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./usr/share/doc/libball1.5/html/BALL/globals_vars.html
    
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70 <div·class="contents">70 <div·class="contents">
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83 <code>#include·&lt;<a·class="el"·href="../../da/d19/a01217_source.html">BALL/PLUGIN/pluginHandler.h</a>&gt;</code><br·/>87 <code>#include·&lt;<a·class="el"·href="../../d7/d6d/a01769_source.html">BALL/STRUCTURE/kekulizer.h</a>&gt;</code><br·/>
84 <code>#include·&lt;QtCore/QModelIndex&gt;</code><br·/>88 <code>#include·&lt;vector&gt;</code><br·/>
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86 <p><a·href="../../d4/ddf/a00488_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../d4/d3e/a00116_source.html">Go·to·the·source·code·of·this·file.</a></p>
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99 <tr·class="memitem:d8/d6f/a02234"·id="r_d8/d6f/a02234"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d8/d6f/a02234.html">Ui</a></td></tr> 
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103 <tr·class="memitem:d4/dc0/a02225"·id="r_d4/dc0/a02225"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d4/dc0/a02225.html">BALL::VIEW</a></td></tr> 
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69 <div·id="nav-path"·class="navpath">69 <div·id="nav-path"·class="navpath">
70 ··<ul>70 ··<ul>
71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d187f8f2739a6bb015167d9b8f56db86.html">MATHS</a></li>··</ul>71 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_b982d84c2a5bf2ea1227e6a42bbdc317.html">FORMAT</a></li>··</ul>
72 </div>72 </div>
73 </div><!--·top·-->73 </div><!--·top·-->
74 <div·class="header">74 <div·class="header">
75 ··<div·class="summary">75 ··<div·class="summary">
76 <a·href="#nested-classes">Classes</a>·&#124;76 <a·href="#nested-classes">Classes</a>·&#124;
77 <a·href="#namespaces">Namespaces</a>··</div>77 <a·href="#namespaces">Namespaces</a>··</div>
78 ··<div·class="headertitle"><div·class="title">circle3.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">paramFile.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../dc/d83/a20365_source.html">BALL/COMMON/exception.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d8/dba/a00773_source.html">BALL/SYSTEM/file.h</a>&gt;</code><br·/>
82 <code>#include·&lt;<a·class="el"·href="../../dd/d5c/a00752_source.html">BALL/MATHS/vector3.h</a>&gt;</code><br·/>82 <code>#include·&lt;<a·class="el"·href="../../d1/d56/a00707_source.html">BALL/DATATYPE/string.h</a>&gt;</code><br·/>
 83 <code>#include·&lt;QtCore/QXmlStreamReader&gt;</code><br·/>
 84 <code>#include·&lt;QtCore/QXmlStreamWriter&gt;</code><br·/>
 85 <code>#include·&lt;QtCore/QFile&gt;</code><br·/>
 86 <code>#include·&lt;map&gt;</code><br·/>
 87 <code>#include·&lt;list&gt;</code><br·/>
 88 <code>#include·&lt;set&gt;</code><br·/>
83 </div>89 </div>
84 <p><a·href="../../dd/d57/a00701_source.html">Go·to·the·source·code·of·this·file.</a></p>90 <p><a·href="../../dc/d17/a00872_source.html">Go·to·the·source·code·of·this·file.</a></p>
85 <table·class="memberdecls">91 <table·class="memberdecls">
86 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>92 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="nested-classes"·name="nested-classes"></a>
87 Classes</h2></td></tr>93 Classes</h2></td></tr>
88 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../dd/dec/a04786.html">BALL::TCircle3&lt;·T·&gt;</a></td></tr>94 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">class·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../d2/da6/a04086.html">BALL::ParamFile</a></td></tr>
 95 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
 96 <tr·class="memitem:"><td·class="memItemLeft"·align="right"·valign="top">struct·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/d40/a04090.html">BALL::ParamFile::ParameterDescription</a></td></tr>
89 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>97 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
90 </table><table·class="memberdecls">98 </table><table·class="memberdecls">
91 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>99 <tr·class="heading"><td·colspan="2"><h2·class="groupheader"><a·id="namespaces"·name="namespaces"></a>
92 Namespaces</h2></td></tr>100 Namespaces</h2></td></tr>
93 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>101 <tr·class="memitem:da/da2/a02217"·id="r_da/da2/a02217"><td·class="memItemLeft"·align="right"·valign="top">namespace·&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../da/da2/a02217.html">BALL</a></td></tr>
94 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>102 <tr·class="separator:"><td·class="memSeparator"·colspan="2">&#160;</td></tr>
95 </table><table·class="memberdecls"> 
96 <tr·class="heading"><td·colspan="2"><h2·class="groupheader">Storers</h2></td></tr> 
97 <tr·class="memitem:ga5064f4ce78d2598c86fa41e000f528bc"·id="r_ga5064f4ce78d2598c86fa41e000f528bc"><td·class="memItemLeft"·align="right"·valign="top">typedef·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;·<a·class="el"·href="../../de/ded/a09238.html">float</a>·&gt;&#160;</td><td·class="memItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga5064f4ce78d2598c86fa41e000f528bc">BALL::Circle3</a></td></tr> 
98 <tr·class="separator:ga5064f4ce78d2598c86fa41e000f528bc"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
99 <tr·class="memitem:gae118e927880e9b77d6db7f90481c4b78"·id="r_gae118e927880e9b77d6db7f90481c4b78"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
100 <tr·class="memitem:gae118e927880e9b77d6db7f90481c4b78"><td·class="memTemplItemLeft"·align="right"·valign="top">std::istream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#gae118e927880e9b77d6db7f90481c4b78">BALL::operator&gt;&gt;</a>·(std::istream·&amp;s,·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;·T·&gt;·&amp;circle)</td></tr> 
101 <tr·class="separator:gae118e927880e9b77d6db7f90481c4b78"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
102 <tr·class="memitem:ga8a53e5e9e51c1b15f3d5ee0a14a95077"·id="r_ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memTemplParams"·colspan="2">template&lt;typename·T·&gt;·</td></tr> 
103 <tr·class="memitem:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memTemplItemLeft"·align="right"·valign="top">std::ostream·&amp;&#160;</td><td·class="memTemplItemRight"·valign="bottom"><a·class="el"·href="../../df/de9/a02153.html#ga8a53e5e9e51c1b15f3d5ee0a14a95077">BALL::operator&lt;&lt;</a>·(std::ostream·&amp;s,·const·<a·class="el"·href="../../dd/dec/a04786.html">TCircle3</a>&lt;·T·&gt;·&amp;circle)</td></tr> 
104 <tr·class="separator:ga8a53e5e9e51c1b15f3d5ee0a14a95077"><td·class="memSeparator"·colspan="2">&#160;</td></tr> 
105 </table>103 </table>
106 </div><!--·contents·-->104 </div><!--·contents·-->
107 <!--·start·footer·part·-->105 <!--·start·footer·part·-->
108 <hr·class="footer"/><address·class="footer"><small>106 <hr·class="footer"/><address·class="footer"><small>
109 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8107 Generated·by&#160;<a·href="https://www.doxygen.org/index.html"><img·class="footer"·src="../../doxygen.svg"·width="104"·height="31"·alt="doxygen"/></a>·1.9.8
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1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">1 <!DOCTYPE·html·PUBLIC·"-//W3C//DTD·XHTML·1.0·Transitional//EN"·"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
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8 <title>BALL:·common.h·Source·File</title>8 <title>BALL:·forEach.h·Source·File</title>
9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>9 <link·href="../../tabs.css"·rel="stylesheet"·type="text/css"/>
10 <script·type="text/javascript"·src="../../jquery.js"></script>10 <script·type="text/javascript"·src="../../jquery.js"></script>
11 <script·type="text/javascript"·src="../../dynsections.js"></script>11 <script·type="text/javascript"·src="../../dynsections.js"></script>
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13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>13 <script·type="text/javascript"·src="../../search/searchdata.js"></script>
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70 </div>70 </div>
71 </div>71 </div>
72 </div>72 </div>
73 </div>73 </div>
  
74 <div·id="nav-path"·class="navpath">74 <div·id="nav-path"·class="navpath">
75 ··<ul>75 ··<ul>
76 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_f8887ba43beab47b0c2ec124dd92a238.html">QSAR</a></li>··</ul>76 <li·class="navelem"><a·class="el"·href="../../dir_d44c64559bbebec7f509842c48db8b23.html">include</a></li><li·class="navelem"><a·class="el"·href="../../dir_ca2edecd53271e55fa64479c0904d8db.html">BALL</a></li><li·class="navelem"><a·class="el"·href="../../dir_d3acbd05806c882965e0ae16bd7027a3.html">DATATYPE</a></li>··</ul>
77 </div>77 </div>
78 </div><!--·top·-->78 </div><!--·top·-->
79 <div·class="header">79 <div·class="header">
80 ··<div·class="headertitle"><div·class="title">QSAR/common.h</div></div>80 ··<div·class="headertitle"><div·class="title">DATATYPE/forEach.h</div></div>
81 </div><!--header-->81 </div><!--header-->
82 <div·class="contents">82 <div·class="contents">
83 <a·href="../../dd/dd6/a20380.html">Go·to·the·documentation·of·this·file.</a><div·class="fragment"><div·class="line"><a·id="l00001"·name="l00001"></a><span·class="lineno">····1</span><span·class="preprocessor">#ifndef·BALL_QSAR_COMMON_H</span></div>83 <a·href="../../de/d98/a20341.html">Go·to·the·documentation·of·this·file.</a><div·class="fragment"><div·class="line"><a·id="l00001"·name="l00001"></a><span·class="lineno">····1</span><span·class="comment">//·-*-·Mode:·C++;·tab-width:·2;·-*-</span></div>
 84 <div·class="line"><a·id="l00002"·name="l00002"></a><span·class="lineno">····2</span><span·class="comment">//·vi:·set·ts=2:</span></div>
84 <div·class="line"><a·id="l00002"·name="l00002"></a><span·class="lineno">····2</span><span·class="preprocessor">#define·BALL_QSAR_COMMON_H</span></div>85 <div·class="line"><a·id="l00003"·name="l00003"></a><span·class="lineno">····3</span><span·class="comment">//</span></div>
85 <div·class="line"><a·id="l00003"·name="l00003"></a><span·class="lineno">····3</span>·</div>86 <div·class="line"><a·id="l00004"·name="l00004"></a><span·class="lineno">····4</span>·</div>
86 <div·class="line"><a·id="l00004"·name="l00004"></a><span·class="lineno">····4</span><span·class="preprocessor">#include·&lt;vector&gt;</span></div> 
87 <div·class="line"><a·id="l00005"·name="l00005"></a><span·class="lineno">····5</span><span·class="preprocessor">#include·&lt;Eigen/Core&gt;</span></div>87 <div·class="line"><a·id="l00005"·name="l00005"></a><span·class="lineno">····5</span><span·class="preprocessor">#ifndef·BALL_DATATYPE_FOREACH_H</span></div>
88 <div·class="line"><a·id="l00006"·name="l00006"></a><span·class="lineno">····6</span><span·class="preprocessor">#include·&lt;Eigen/StdVector&gt;</span></div>88 <div·class="line"><a·id="l00006"·name="l00006"></a><span·class="lineno">····6</span><span·class="preprocessor">#define·BALL_DATATYPE_FOREACH_H</span></div>
89 <div·class="line"><a·id="l00007"·name="l00007"></a><span·class="lineno">····7</span>·</div>89 <div·class="line"><a·id="l00007"·name="l00007"></a><span·class="lineno">····7</span>·</div>
 90 <div·class="line"><a·id="l00008"·name="l00008"></a><span·class="lineno">····8</span><span·class="preprocessor">#ifndef·BALL_COMMON_H</span></div>
 91 <div·class="line"><a·id="l00009"·name="l00009"></a><span·class="lineno">····9</span><span·class="preprocessor">#·include·&lt;<a·class="code"·href="../../d3/dd5/a00215.html">BALL/common.h</a>&gt;</span></div>
90 <div·class="line"><a·id="l00008"·name="l00008"></a><span·class="lineno">····8</span><span·class="keyword">namespace·</span><a·class="code·hl_namespace"·href="../../da/da2/a02217.html">BALL</a></div> 
91 <div·class="line"><a·id="l00009"·name="l00009"></a><span·class="lineno">····9</span>{</div> 
92 <div·class="line"><a·id="l00010"·name="l00010"></a><span·class="lineno"><a·class="line"·href="../../da/da2/a02217.html#a489a83c1f219bb3b9f0df35791c7c73f">···10</a></span>··<span·class="keyword">typedef</span>·std::vector&lt;Eigen::MatrixXd,·Eigen::aligned_allocator&lt;Eigen::MatrixXd&gt;·&gt;·<a·class="code·hl_typedef"·href="../../da/da2/a02217.html#a489a83c1f219bb3b9f0df35791c7c73f">MatrixVector</a>;</div> 
93 <div·class="line"><a·id="l00011"·name="l00011"></a><span·class="lineno">···11</span>}</div>92 <div·class="line"><a·id="l00010"·name="l00010"></a><span·class="lineno">···10</span><span·class="preprocessor">#endif</span></div>
 93 <div·class="foldopen"·id="foldopen00029"·data-start=""·data-end="">
 94 <div·class="line"><a·id="l00029"·name="l00029"></a><span·class="lineno"><a·class="line"·href="../../de/d98/a20341.html#ae3d1bf0414c7338e893225c0544c2b2c">···29</a></span><span·class="preprocessor">#define·BALL_FOREACH(container,·element_iterator)·\</span></div>
 95 <div·class="line"><a·id="l00030"·name="l00030"></a><span·class="lineno">···30</span><span·class="preprocessor">for·(element_iterator·=·container.begin();·\</span></div>
 96 <div·class="line"><a·id="l00031"·name="l00031"></a><span·class="lineno">···31</span><span·class="preprocessor">·····!element_iterator.isEnd();·\</span></div>
 97 <div·class="line"><a·id="l00032"·name="l00032"></a><span·class="lineno">···32</span><span·class="preprocessor">·····++element_iterator)</span></div>
 98 </div>
94 <div·class="line"><a·id="l00012"·name="l00012"></a><span·class="lineno">···12</span>·</div>99 <div·class="line"><a·id="l00033"·name="l00033"></a><span·class="lineno">···33</span>·</div>
95 <div·class="line"><a·id="l00013"·name="l00013"></a><span·class="lineno">···13</span><span·class="preprocessor">#endif·</span><span·class="comment">//BALL_QSAR_COMMON_H</span></div>100 <div·class="line"><a·id="l00034"·name="l00034"></a><span·class="lineno">···34</span><span·class="preprocessor">#endif·</span><span·class="comment">//·BALL_DATATYPE_FOREACH_H</span></div>
 101 <div·class="ttc"·id="aa00215_html"><div·class="ttname"><a·href="../../d3/dd5/a00215.html">common.h</a></div></div>
96 <div·class="ttc"·id="aa02217_html"><div·class="ttname"><a·href="../../da/da2/a02217.html">BALL</a></div><div·class="ttdef"><b>Definition</b>·<a·href="../../d0/d5a/a01199_source.html#l00012">constants.h:13</a></div></div> 
97 <div·class="ttc"·id="aa02217_html_a489a83c1f219bb3b9f0df35791c7c73f"><div·class="ttname"><a·href="../../da/da2/a02217.html#a489a83c1f219bb3b9f0df35791c7c73f">BALL::MatrixVector</a></div><div·class="ttdeci">std::vector&lt;·Eigen::MatrixXd,·Eigen::aligned_allocator&lt;·Eigen::MatrixXd·&gt;·&gt;·MatrixVector</div><div·class="ttdef"><b>Definition</b>·<a·href="../../dd/dd6/a20380_source.html#l00010">QSAR/common.h:10</a></div></div> 
98 </div><!--·fragment·--></div><!--·contents·-->102 </div><!--·fragment·--></div><!--·contents·-->
99 <!--·start·footer·part·-->103 <!--·start·footer·part·-->
100 <hr·class="footer"/><address·class="footer"><small>104 <hr·class="footer"/><address·class="footer"><small>
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104 </html>108 </html>
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78 ··<div·class="headertitle"><div·class="title">modelSettingsDialog.h·File·Reference</div></div>79 ··<div·class="headertitle"><div·class="title">geometricObject.h·File·Reference</div></div>
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80 <div·class="contents">81 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>82 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d7/d51/a01340_source.html">BALL/VIEW/DATATYPE/colorRGBA.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;<a·class="el"·href="../../d5/d08/a20383_source.html">BALL/VIEW/KERNEL/common.h</a>&gt;</code><br·/> 
84 <code>#include·&lt;<a·class="el"·href="../../dc/d9a/a00218_source.html">BALL/VIEW/KERNEL/preferencesEntry.h</a>&gt;</code><br·/> 
85 <code>#include·&lt;BALL/VIEW/UIC/ui_modelSettingsDialog.h&gt;</code><br·/> 
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78 ··<div·class="headertitle"><div·class="title">networkPreferences.h·File·Reference</div></div>78 ··<div·class="headertitle"><div·class="title">factory.h·File·Reference</div></div>
79 </div><!--header-->79 </div><!--header-->
80 <div·class="contents">80 <div·class="contents">
81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d6/d95/a20350_source.html">BALL/COMMON/global.h</a>&gt;</code><br·/>81 <div·class="textblock"><code>#include·&lt;<a·class="el"·href="../../d3/dd5/a00215_source.html">BALL/common.h</a>&gt;</code><br·/>
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83 <code>#include·&lt;BALL/VIEW/UIC/ui_networkPreferences.h&gt;</code><br·/> 
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86 <p><a·href="../../df/d70/a00431_source.html">Go·to·the·source·code·of·this·file.</a></p>83 <p><a·href="../../d3/d60/a00818_source.html">Go·to·the·source·code·of·this·file.</a></p>
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