relax SVN archive

Merged revisions 26665 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26665 | bugman | 2014-11-20 15:43:52 +0100 (Thu, 20 Nov 2014) | 5 lines

Fix for the Structure.test_bug_22860_CoM_after_deletion system test for the previous commit.

The error is no longer RelaxNoPdbError but rather RelaxError.
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Fix for the Structure.test_bug_22860_CoM_after_deletion system test for the previous commit.

The error is no longer RelaxNoPdbError but rather RelaxError.

Merged revisions 26662 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26662 | bugman | 2014-11-20 15:27:47 +0100 (Thu, 20 Nov 2014) | 7 lines

Added the missing_error keyword argument to the pipe_centre_of_mass() function.

This is from the pipe_control.structure.mass module. The new keyword controls what happens with the
absence of structural data. The pipe_control.structure.checks.check_structure() function is now
being used to either throw a warning and return [0, 0, 0] or to raise a RelaxError.
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Merged revisions 26662 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26662 | bugman | 2014-11-20 15:27:47 +0100 (Thu, 20 Nov 2014) | 7 lines

Added the missing_error keyword argument to the pipe_centre_of_mass() function.

This is from the pipe_control.structure.mass module. The new keyword controls what happens with the
absence of structural data. The pipe_control.structure.checks.check_structure() function is now
being used to either throw a warning and return [0, 0, 0] or to raise a RelaxError.
........

Added the missing_error keyword argument to the pipe_centre_of_mass() function.

This is from the pipe_control.structure.mass module. The new keyword controls what happens with the
absence of structural data. The pipe_control.structure.checks.check_structure() function is now
being used to either throw a warning and return [0, 0, 0] or to raise a RelaxError.

Merged revisions 26656,26659 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26656 | bugman | 2014-11-20 14:40:42 +0100 (Thu, 20 Nov 2014) | 6 lines

Python 2.5 fix for the align_tensor.display user function.

The new irreducible spherical tensor coefficient printout was failing as the float.real variable was
introduced from Python 2.6 onwards.
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r26659 | bugman | 2014-11-20 15:05:32 +0100 (Thu, 20 Nov 2014) | 7 lines

Shifted the structure checks into their own module.

This shifts the special check_structure Check object from pipe_control.structure.main into the new
checks module. It allows the check to be performed by other modules in the pipe_control.structure
package.
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Merged revisions 26656,26659 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r26656 | bugman | 2014-11-20 14:40:42 +0100 (Thu, 20 Nov 2014) | 6 lines

Python 2.5 fix for the align_tensor.display user function.

The new irreducible spherical tensor coefficient printout was failing as the float.real variable was
introduced from Python 2.6 onwards.
........
r26659 | bugman | 2014-11-20 15:05:32 +0100 (Thu, 20 Nov 2014) | 7 lines

Shifted the structure checks into their own module.

This shifts the special check_structure Check object from pipe_control.structure.main into the new
checks module. It allows the check to be performed by other modules in the pipe_control.structure
package.
........

Shifted the structure checks into their own module.

This shifts the special check_structure Check object from pipe_control.structure.main into the new
checks module. It allows the check to be performed by other modules in the pipe_control.structure
package.

Modified the frame_order.pdb_model user function backend to handle missing structural data.

The create_ave_pos() function of the specific_analyses.frame_order.geometric module now checks that
cdp.structure exists, and if not a warning is given and the PDB file creating is skipped.

Started to create the Frame_order.test_pdb_model_rotor system test.

This will be used to check that the PDB representations of the frame order motions are correct.