relax SVN archive

Merged revisions 27667 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27667 | bugman | 2015-02-19 14:22:50 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_bug_23293_missing_hetatm system test.

This is to catch bug #23293 (https://gna.org/bugs/?23293), the PDB HETATM loading error whereby the
last HETATM record is sometimes not read from the PDB file.
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Merged revisions 27667 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27667 | bugman | 2015-02-19 14:22:50 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_bug_23293_missing_hetatm system test.

This is to catch bug #23293 (https://gna.org/bugs/?23293), the PDB HETATM loading error whereby the
last HETATM record is sometimes not read from the PDB file.
........

Created the Structure.test_bug_23293_missing_hetatm system test.

This is to catch bug #23293 (https://gna.org/bugs/?23293), the PDB HETATM loading error whereby the
last HETATM record is sometimes not read from the PDB file.

Merged revisions 27661-27662,27664 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27661 | bugman | 2015-02-17 16:27:20 +0100 (Tue, 17 Feb 2015) | 6 lines

Added some error checking for the monte_carlo.setup user function.

A RelaxError is now raised if the number of simulations is less than 3. This prevents Python errors
when later calling the monte_carlo.error_analysis user function.
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r27662 | bugman | 2015-02-17 16:48:45 +0100 (Tue, 17 Feb 2015) | 6 lines

Test suite fixes for the error checking in the monte_carlo.setup user function.

The number of simulations has been increased from either 1 or 2 in all tests to the minimal number
of simulations (3).
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r27664 | bugman | 2015-02-18 17:55:35 +0100 (Wed, 18 Feb 2015) | 3 lines

Small fix for the structure.write_pdb user function for handling old relax state and results files.
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Merged revisions 27661-27662,27664 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27661 | bugman | 2015-02-17 16:27:20 +0100 (Tue, 17 Feb 2015) | 6 lines

Added some error checking for the monte_carlo.setup user function.

A RelaxError is now raised if the number of simulations is less than 3. This prevents Python errors
when later calling the monte_carlo.error_analysis user function.
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r27662 | bugman | 2015-02-17 16:48:45 +0100 (Tue, 17 Feb 2015) | 6 lines

Test suite fixes for the error checking in the monte_carlo.setup user function.

The number of simulations has been increased from either 1 or 2 in all tests to the minimal number
of simulations (3).
........
r27664 | bugman | 2015-02-18 17:55:35 +0100 (Wed, 18 Feb 2015) | 3 lines

Small fix for the structure.write_pdb user function for handling old relax state and results files.
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Small fix for the structure.write_pdb user function for handling old relax state and results files.

Fix to allow Monte Carlo simulations to be repeated in the frame order analysis.

The code for checking for pre-existing Monte Carlo simulation data structures and raising a
RelaxError if anything is found has been deleted.

Test suite fixes for the error checking in the monte_carlo.setup user function.

The number of simulations has been increased from either 1 or 2 in all tests to the minimal number
of simulations (3).

Added some error checking for the monte_carlo.setup user function.

A RelaxError is now raised if the number of simulations is less than 3. This prevents Python errors
when later calling the monte_carlo.error_analysis user function.

Merged revisions 27656 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r27656 | bugman | 2015-02-17 09:44:53 +0100 (Tue, 17 Feb 2015) | 7 lines

Fix for bug #23288 (https://gna.org/bugs/?23288).

This is the failure of the structure.read_pdb user function when simultaneously merging multiple
molecules from one file. The set_mol_name and set_model_num arguments are now converted to lists
equal to the length of the read_mol and read_model arguments simultaneously, if supplied.
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