relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r23632 | bugman | 2014-06-04 10:56:18 +0200 (Wed, 04 Jun 2014) | 8 lines

Expanded the capabilities of the pymol.frame_order user function.

The isotropic and pseudo-elliptic cones are now represented as they used to be under the
pymol.cone_pdb user function. To avoid code duplication, the new represent_cone_axis(),
represent_cone_object() and represent_rotor_object() functions have been created to send the
commands into PyMOL.
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r23633 | bugman | 2014-06-04 11:24:12 +0200 (Wed, 04 Jun 2014) | 7 lines

Increased the precision of all of the CaM frame order system tests by 40 times.

The number of Sobol' integration points have been significantly increased while only increasing the
frame order system test timings by ~10%. This allows for checking for chi-squared values at the
minima much closer to zero, and is much better for demonstrating bugs.
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r23634 | bugman | 2014-06-04 13:54:40 +0200 (Wed, 04 Jun 2014) | 6 lines

Optimisation constraints are no longer turned off in the frame order auto-analysis.

Constraints are now supported by all frame order models, or automatically turned off for those which
do not have parameter constraints.
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r23635 | bugman | 2014-06-04 13:56:59 +0200 (Wed, 04 Jun 2014) | 5 lines

Fix for the frame order visualisation script created by the auto-analysis.

The call to pymol.frame_order is now correct for the current version of this user function.
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