--- /srv/reproducible-results/rbuild-debian/r-b-build.6HsJuGYO/b1/mdanalysis_2.7.0-5_amd64.changes
+++ /srv/reproducible-results/rbuild-debian/r-b-build.6HsJuGYO/b2/mdanalysis_2.7.0-5_amd64.changes
├── Files
│ @@ -1,4 +1,4 @@
│
│ - d6291b778264b2a245140dd6a79eeb47 2366188 doc optional python-mdanalysis-doc_2.7.0-5_all.deb
│ + f320b49beea3bfbcc1ca3f416047317a 2366228 doc optional python-mdanalysis-doc_2.7.0-5_all.deb
│ 2f59714f7b6af49f6271d797dc569679 6129188 debug optional python3-mdanalysis-dbgsym_2.7.0-5_amd64.deb
│ cae36096407500661fc9d285be5ff1f3 1964784 python optional python3-mdanalysis_2.7.0-5_amd64.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 2352496 2024-08-10 17:37:15.000000 data.tar.xz
│ │ +-rw-r--r-- 0 0 0 2352536 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': ('OD1', 'SG', 'O', 'OG', 'OE1', 'OC2', 'ND1', 'NE2', 'SD', 'OC1', 'OG1', 'OH2', 'OD2', 'OE2', 'OH', 'OW'), 'GLYCAM06': ('N', 'SM', 'O', 'OY', 'OS', 'NT', 'OH', 'OW', 'O2'), 'other': ()}
│ │ │ │ +DEFAULT_ACCEPTORS = {'CHARMM27': ('OD1', 'OC1', 'OW', 'OG', 'SG', 'NE2', 'OC2', 'O', 'OH2', 'OD2', 'ND1', 'OE2', 'SD', 'OE1', 'OG1', 'OH'), 'GLYCAM06': ('N', 'OS', 'OY', 'NT', 'OW', 'SM', 'O', 'O2', 'OH'), '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': ('SG', 'NE1', 'N', 'OG', 'OG1', 'OH2', 'NH2', 'NZ', 'NH1', 'ND2', 'OH', 'ND1', 'NE', 'OW', 'NE2'), 'GLYCAM06': ('N3', 'N', 'NT', 'OH', 'OW'), 'other': ()}
│ │ │ │ +DEFAULT_DONORS = {'CHARMM27': ('N', 'NH1', 'NZ', 'NE', 'OW', 'ND1', 'NE1', 'OG', 'ND2', 'OG1', 'SG', 'NE2', 'NH2', 'OH2', 'OH'), 'GLYCAM06': ('N', 'OW', 'NT', 'N3', 'OH'), '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'':: ((''OODD11'',, ''SSGG'',, ''OO'',, ''OOGG'',, ''OOEE11'',, ''OOCC22'',,
│ │ │ │ │ - ''NNDD11'',, ''NNEE22'',, ''SSDD'',, ''OOCC11'',, ''OOGG11'',, ''OOHH22'',, ''OODD22'',, ''OOEE22'',, ''OOHH'',, ''OOWW'')),,
│ │ │ │ │ - ''GGLLYYCCAAMM0066'':: ((''NN'',, ''SSMM'',, ''OO'',, ''OOYY'',, ''OOSS'',, ''NNTT'',, ''OOHH'',, ''OOWW'',, ''OO22'')),,
│ │ │ │ │ - ''ootthheerr'':: (())}}_¶
│ │ │ │ │ + DEFAULT_ACCEPTORS == {{''CCHHAARRMMMM2277'':: ((''OODD11'',, ''OOCC11'',, ''OOWW'',, ''OOGG'',, ''SSGG'',,
│ │ │ │ │ + ''NNEE22'',, ''OOCC22'',, ''OO'',, ''OOHH22'',, ''OODD22'',, ''NNDD11'',, ''OOEE22'',, ''SSDD'',, ''OOEE11'',, ''OOGG11'',,
│ │ │ │ │ + ''OOHH'')),, ''GGLLYYCCAAMM0066'':: ((''NN'',, ''OOSS'',, ''OOYY'',, ''NNTT'',, ''OOWW'',, ''SSMM'',, ''OO'',, ''OO22'',,
│ │ │ │ │ + ''OOHH'')),, ''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'':: ((''SSGG'',, ''NNEE11'',, ''NN'',, ''OOGG'',, ''OOGG11'',, ''OOHH22'',,
│ │ │ │ │ - ''NNHH22'',, ''NNZZ'',, ''NNHH11'',, ''NNDD22'',, ''OOHH'',, ''NNDD11'',, ''NNEE'',, ''OOWW'',, ''NNEE22'')),, ''GGLLYYCCAAMM0066''::
│ │ │ │ │ - ((''NN33'',, ''NN'',, ''NNTT'',, ''OOHH'',, ''OOWW'')),, ''ootthheerr'':: (())}}_¶
│ │ │ │ │ + DEFAULT_DONORS == {{''CCHHAARRMMMM2277'':: ((''NN'',, ''NNHH11'',, ''NNZZ'',, ''NNEE'',, ''OOWW'',, ''NNDD11'',,
│ │ │ │ │ + ''NNEE11'',, ''OOGG'',, ''NNDD22'',, ''OOGG11'',, ''SSGG'',, ''NNEE22'',, ''NNHH22'',, ''OOHH22'',, ''OOHH'')),,
│ │ │ │ │ + ''GGLLYYCCAAMM0066'':: ((''NN'',, ''OOWW'',, ''NNTT'',, ''NN33'',, ''OOHH'')),, ''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.