relax SVN archive

Fix for the Structure.test_bug_23294_multi_mol_automerge system test.

The MASTER PDB record has been added to the data to check for, as this will be produced by the
structure.write_pdb user function.

Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test.

Merged revisions 27680 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27680 | bugman | 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) | 9 lines

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.
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Merged revisions 27680 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27680 | bugman | 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) | 9 lines

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.
........

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.

Merged revisions 27676-27677 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27676 | bugman | 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_multi_model_and_multi_molecule system test.

This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The
test shows that this functions correctly.
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r27677 | bugman | 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) | 5 lines

Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency.

This is just for better test suite coverage of the handling of PDB structural data.
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Merged revisions 27676-27677 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27676 | bugman | 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_multi_model_and_multi_molecule system test.

This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The
test shows that this functions correctly.
........
r27677 | bugman | 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) | 5 lines

Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency.

This is just for better test suite coverage of the handling of PDB structural data.
........

Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency.

This is just for better test suite coverage of the handling of PDB structural data.

Created the Structure.test_multi_model_and_multi_molecule system test.

This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The
test shows that this functions correctly.

Merged revisions 27673 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27673 | bugman | 2015-02-19 14:55:06 +0100 (Thu, 19 Feb 2015) | 9 lines

Fix for bug #23293 (https://gna.org/bugs/?23293).

This is the PDB HETATM loading error whereby the last HETATM record is sometimes not read from the
PDB file. The problem was two-fold. Firstly the internal structural object _parse_mols_pdb()
method for separating a PDB file into distinct molecules was terminating too early when a new
molecule is found, so that the last PDB record is not appended to the records list for the molecule.
Secondly the write_pdb() method was not handling the PDB sequential serial number correctly.
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