--- /srv/reproducible-results/rbuild-debian/r-b-build.vPA9JTCx/b1/mdanalysis_2.7.0-5_arm64.changes
+++ /srv/reproducible-results/rbuild-debian/r-b-build.vPA9JTCx/b2/mdanalysis_2.7.0-5_arm64.changes
├── Files
│ @@ -1,4 +1,4 @@
│
│ - f72b7c2fdc6dffa5a3d90d88f6374c13 2366248 doc optional python-mdanalysis-doc_2.7.0-5_all.deb
│ + 4238d33aa9e7b9601ec6e7a3e5b52f08 2366140 doc optional python-mdanalysis-doc_2.7.0-5_all.deb
│ f165c135bd2c187dd159bc67dde16c1a 5681852 debug optional python3-mdanalysis-dbgsym_2.7.0-5_arm64.deb
│ dd25d6534e11b8125d928a1fe15cf1a6 1886496 python optional python3-mdanalysis_2.7.0-5_arm64.deb
├── python-mdanalysis-doc_2.7.0-5_all.deb
│ ├── file list
│ │ @@ -1,3 +1,3 @@
│ │ -rw-r--r-- 0 0 0 4 2024-08-10 17:37:15.000000 debian-binary
│ │ --rw-r--r-- 0 0 0 13500 2024-08-10 17:37:15.000000 control.tar.xz
│ │ --rw-r--r-- 0 0 0 2352556 2024-08-10 17:37:15.000000 data.tar.xz
│ │ +-rw-r--r-- 0 0 0 13504 2024-08-10 17:37:15.000000 control.tar.xz
│ │ +-rw-r--r-- 0 0 0 2352444 2024-08-10 17:37:15.000000 data.tar.xz
│ ├── control.tar.xz
│ │ ├── control.tar
│ │ │ ├── ./md5sums
│ │ │ │ ├── ./md5sums
│ │ │ │ │┄ Files differ
│ ├── data.tar.xz
│ │ ├── data.tar
│ │ │ ├── ./usr/share/doc/python-mdanalysis-doc/html/documentation_pages/analysis/wbridge_analysis.html
│ │ │ │ @@ -906,23 +906,23 @@
│ │ │ │ Deprecated since version 2.0.0: Will be removed in MDAnalysis 3.0.0. Please use
│ │ │ │ results.timeseries instead.
│ │ │ │
│ │ │ │
│ │ │ │
│ │ │ │
│ │ │ │ -
│ │ │ │ -DEFAULT_ACCEPTORS = {'CHARMM27': ('OG1', 'OH', 'OC1', 'OH2', 'OD1', 'SD', 'NE2', 'OW', 'OE2', 'OG', 'ND1', 'OD2', 'SG', 'OC2', 'O', 'OE1'), 'GLYCAM06': ('SM', 'O2', 'OH', 'OY', 'O', 'NT', 'OS', 'N', 'OW'), 'other': ()}
│ │ │ │ +DEFAULT_ACCEPTORS = {'CHARMM27': ('OH2', 'ND1', 'OC1', 'OG1', 'OH', 'OD1', 'OE1', 'O', 'OC2', 'OW', 'SD', 'OD2', 'SG', 'OE2', 'OG', 'NE2'), 'GLYCAM06': ('O2', 'OS', 'OH', 'OY', 'O', 'SM', 'NT', 'OW', 'N'), 'other': ()}
│ │ │ │ default atom names that are treated as hydrogen acceptors
│ │ │ │ (see Default heavy atom names for CHARMM27 force field.);
│ │ │ │ use the keyword acceptors to add a list of additional acceptor names.
│ │ │ │
│ │ │ │
│ │ │ │
│ │ │ │ -
│ │ │ │ -DEFAULT_DONORS = {'CHARMM27': ('ND1', 'OG1', 'SG', 'ND2', 'OH', 'NH2', 'NE1', 'OH2', 'NE2', 'NZ', 'N', 'OW', 'NE', 'OG', 'NH1'), 'GLYCAM06': ('N3', 'OH', 'N', 'OW', 'NT'), 'other': ()}
│ │ │ │ +DEFAULT_DONORS = {'CHARMM27': ('NZ', 'OH2', 'NE1', 'ND1', 'OG1', 'OH', 'NH1', 'N', 'SG', 'NE2', 'ND2', 'NH2', 'OG', 'OW', 'NE'), 'GLYCAM06': ('N', 'NT', 'OH', 'OW', 'N3'), 'other': ()}
│ │ │ │ default heavy atom names whose hydrogens are treated as donors
│ │ │ │ (see Default heavy atom names for CHARMM27 force field.);
│ │ │ │ use the keyword donors to add a list of additional donor names.
│ │ │ │
│ │ │ │
│ │ │ │
│ │ │ │ -
│ │ │ │ ├── html2text {}
│ │ │ │ │ @@ -554,24 +554,24 @@
│ │ │ │ │ List of hydrogen bonds between the selection 1 or selection 2 and
│ │ │ │ │ the bridging waters, for each frame.
│ │ │ │ │ Added in version 2.0.0.
│ │ │ │ │ timeseries_¶
│ │ │ │ │ Alias to the _r_e_s_u_l_t_s_._t_i_m_e_s_e_r_i_e_s attribute.
│ │ │ │ │ Deprecated since version 2.0.0: Will be removed in MDAnalysis
│ │ │ │ │ 3.0.0. Please use _r_e_s_u_l_t_s_._t_i_m_e_s_e_r_i_e_s instead.
│ │ │ │ │ - DEFAULT_ACCEPTORS == {{''CCHHAARRMMMM2277'':: ((''OOGG11'',, ''OOHH'',, ''OOCC11'',, ''OOHH22'',, ''OODD11'',,
│ │ │ │ │ - ''SSDD'',, ''NNEE22'',, ''OOWW'',, ''OOEE22'',, ''OOGG'',, ''NNDD11'',, ''OODD22'',, ''SSGG'',, ''OOCC22'',, ''OO'',, ''OOEE11'')),,
│ │ │ │ │ - ''GGLLYYCCAAMM0066'':: ((''SSMM'',, ''OO22'',, ''OOHH'',, ''OOYY'',, ''OO'',, ''NNTT'',, ''OOSS'',, ''NN'',, ''OOWW'')),,
│ │ │ │ │ + DEFAULT_ACCEPTORS == {{''CCHHAARRMMMM2277'':: ((''OOHH22'',, ''NNDD11'',, ''OOCC11'',, ''OOGG11'',, ''OOHH'',,
│ │ │ │ │ + ''OODD11'',, ''OOEE11'',, ''OO'',, ''OOCC22'',, ''OOWW'',, ''SSDD'',, ''OODD22'',, ''SSGG'',, ''OOEE22'',, ''OOGG'',, ''NNEE22'')),,
│ │ │ │ │ + ''GGLLYYCCAAMM0066'':: ((''OO22'',, ''OOSS'',, ''OOHH'',, ''OOYY'',, ''OO'',, ''SSMM'',, ''NNTT'',, ''OOWW'',, ''NN'')),,
│ │ │ │ │ ''ootthheerr'':: (())}}_¶
│ │ │ │ │ default atom names that are treated as hydrogen aacccceeppttoorrss (see
│ │ │ │ │ _D_e_f_a_u_l_t_ _h_e_a_v_y_ _a_t_o_m_ _n_a_m_e_s_ _f_o_r_ _C_H_A_R_M_M_2_7_ _f_o_r_c_e_ _f_i_e_l_d_.); use the
│ │ │ │ │ keywordacceptorsto add a list of additional acceptor names.
│ │ │ │ │ - DEFAULT_DONORS == {{''CCHHAARRMMMM2277'':: ((''NNDD11'',, ''OOGG11'',, ''SSGG'',, ''NNDD22'',, ''OOHH'',, ''NNHH22'',,
│ │ │ │ │ - ''NNEE11'',, ''OOHH22'',, ''NNEE22'',, ''NNZZ'',, ''NN'',, ''OOWW'',, ''NNEE'',, ''OOGG'',, ''NNHH11'')),, ''GGLLYYCCAAMM0066''::
│ │ │ │ │ - ((''NN33'',, ''OOHH'',, ''NN'',, ''OOWW'',, ''NNTT'')),, ''ootthheerr'':: (())}}_¶
│ │ │ │ │ + DEFAULT_DONORS == {{''CCHHAARRMMMM2277'':: ((''NNZZ'',, ''OOHH22'',, ''NNEE11'',, ''NNDD11'',, ''OOGG11'',, ''OOHH'',,
│ │ │ │ │ + ''NNHH11'',, ''NN'',, ''SSGG'',, ''NNEE22'',, ''NNDD22'',, ''NNHH22'',, ''OOGG'',, ''OOWW'',, ''NNEE'')),, ''GGLLYYCCAAMM0066''::
│ │ │ │ │ + ((''NN'',, ''NNTT'',, ''OOHH'',, ''OOWW'',, ''NN33'')),, ''ootthheerr'':: (())}}_¶
│ │ │ │ │ default heavy atom names whose hydrogens are treated as ddoonnoorrss (see
│ │ │ │ │ _D_e_f_a_u_l_t_ _h_e_a_v_y_ _a_t_o_m_ _n_a_m_e_s_ _f_o_r_ _C_H_A_R_M_M_2_7_ _f_o_r_c_e_ _f_i_e_l_d_.); use the
│ │ │ │ │ keyworddonorsto add a list of additional donor names.
│ │ │ │ │ count_by_time(aannaallyyssiiss__ffuunncc==NNoonnee, ****kkwwaarrggss)_[_s_o_u_r_c_e_]_¶
│ │ │ │ │ Counts the number of water bridges per timestep.
│ │ │ │ │ The counting behaviour can be adjusted by supplying analysis_func.
│ │ │ │ │ See _U_s_e_ _c_o_u_n_t___b_y___t_i_m_e for details.