relax SVN archive

Merged revisions 18533-18540 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18533 | bugman | 2013-02-20 15:52:00 +0100 (Wed, 20 Feb 2013) | 3 lines

Docstring edits for the generic_fns.structure.pdb_* module unit tests.
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r18534 | bugman | 2013-02-20 16:01:07 +0100 (Wed, 20 Feb 2013) | 3 lines

Created a unit test for the generic_fns.structure.pdb_write.het() function.
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r18535 | bugman | 2013-02-20 16:02:44 +0100 (Wed, 20 Feb 2013) | 5 lines

Fix for the generic_fns.structure.pdb_write.helix() function.

The single character PDB record formatting should be %1s, not %s.
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r18536 | bugman | 2013-02-20 16:05:20 +0100 (Wed, 20 Feb 2013) | 5 lines

Fix for the generic_fns.structure.pdb_write.het() function - the record now has trailing whitespace.

The PDB records require trailing whitespace to the 80th character position.
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r18537 | bugman | 2013-02-20 16:23:04 +0100 (Wed, 20 Feb 2013) | 3 lines

Docstring whitespace fixes for the generic_fns.structure.pdb_* modules.
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r18538 | bugman | 2013-02-20 16:40:01 +0100 (Wed, 20 Feb 2013) | 6 lines

Created the generic_fns.structure.pdb_write._handle_text() function.

This private function is used to convert text into PDB suitable format (uppercase and values of None
converted to empty strings).
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r18539 | bugman | 2013-02-20 16:43:29 +0100 (Wed, 20 Feb 2013) | 5 lines

Fixes for many of the generic_fns.structure.pdb_write functions.

The PDB records are now all filled with whitespace up to the 80th character.
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r18540 | bugman | 2013-02-20 16:44:27 +0100 (Wed, 20 Feb 2013) | 5 lines

Fix for the creation of HET PDB records in the internal structural object.

The residue name and chain ID were mixed up.
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Fix for the creation of HET PDB records in the internal structural object.

The residue name and chain ID were mixed up.

Fixes for many of the generic_fns.structure.pdb_write functions.

The PDB records are now all filled with whitespace up to the 80th character.

Created the generic_fns.structure.pdb_write._handle_text() function.

This private function is used to convert text into PDB suitable format (uppercase and values of None
converted to empty strings).

Docstring whitespace fixes for the generic_fns.structure.pdb_* modules.

Fix for the generic_fns.structure.pdb_write.het() function - the record now has trailing whitespace.

The PDB records require trailing whitespace to the 80th character position.

Fix for the generic_fns.structure.pdb_write.helix() function.

The single character PDB record formatting should be %1s, not %s.

Created a unit test for the generic_fns.structure.pdb_write.het() function.

Docstring edits for the generic_fns.structure.pdb_* module unit tests.

Merged revisions 18531 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18531 | bugman | 2013-02-20 15:47:45 +0100 (Wed, 20 Feb 2013) | 9 lines

Fix for bug #20531 (https://gna.org/bugs/?20531).

This is the bug of the RelaxFault during the final stages of the auto_analysis.dauvergne_protocol
model-free analysis when the Molmol and PyMOL macros are being created. The problem was caused by
model m9 (just the Rex parameter) when trying to determine what the order parameter for fast (< 200
ps) motions is. The code was assuming that the model-free model would always contain an order
parameter. It is very strange that this has only been rarely encountered!
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