relax SVN archive

Merged revisions 24500-24501 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r24500 | bugman | 2014-07-09 18:38:34 +0200 (Wed, 09 Jul 2014) | 5 lines

Updated the script for finding unused imports in the relax source code.

Now the file name is only printed for Python files which have unused imports.
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r24501 | bugman | 2014-07-09 19:17:38 +0200 (Wed, 09 Jul 2014) | 3 lines

Removal of many unused imports throughout the relax codebase.
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Removal of many unused imports throughout the relax codebase.

Updated the script for finding unused imports in the relax source code.

Now the file name is only printed for Python files which have unused imports.

Modified the script for recreating the frame order PDB representation and displaying it in PyMOL.

The state loading, domain redefinition, and representation creation parts have all been removed, as
these will soon all be redundant as the frame order analysis for all models is being redone. All
that remains are the pymol.frame_order() function calls for displaying all the representations.

Updated the frame order optimisation results for the CaM isotropic cone test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository and the old ones removed.

Added the log file which should have been committed at r24496.

The number of function calls has also been decreased to 100.

Added a profiling script and log file for the free rotor frame order model.

Modified the specific_analyses.frame_order.parameters.update_model() function.

The pivot parameters are now set to 0.0 if they do not currently exist. They were previously
excluded from this initialisation, but this is required for the frame order models if the pivot is
not initially fixed at a give location in the PDB space.

The frame order grid search is now checking if the pivot point has been set.

Created the specific_analyses.frame_order.checks.check_pivot() function.

This is to check that the pivot point has been set.