relax SVN archive

Merged revisions 23637-23639 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23637 | bugman | 2014-06-04 16:56:17 +0200 (Wed, 04 Jun 2014) | 9 lines

Expanded and improved the docstring for the relax_disp.r20_from_min_r2eff user function.

This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/5957.

The documentation now covers a number of the uses for this user function. The text has also been
lightly edited. To fit all the text into the GUI user function window, the size of the dialog and
the text high settings have been changed.
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r23638 | bugman | 2014-06-04 18:05:35 +0200 (Wed, 04 Jun 2014) | 12 lines

Large improvements for the detection of cross-compilation on Mac OS X systems.

The tests for different architecture support now follows the ideas discussed in the post
http://thread.gmane.org/gmane.science.nmr.relax.devel/5785/focus=5820.

In summary, for each architecture a simple C file is created, compiled with 'gcc -arch xyz', and the
resultant binary file tested. To support 64-bit compilation on 32-bit systems, all previously
successful architectures are also included in the gcc command.

The change allows the 'ppc64' architecture to be reintroduced.
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r23639 | bugman | 2014-06-04 18:21:30 +0200 (Wed, 04 Jun 2014) | 5 lines

Fixed the docstring for the det_arch() method of the sconstruct script.

This is for the true cross-compilation detection on Mac OS X.
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Fixed the docstring for the det_arch() method of the sconstruct script.

This is for the true cross-compilation detection on Mac OS X.

Large improvements for the detection of cross-compilation on Mac OS X systems.

The tests for different architecture support now follows the ideas discussed in the post
http://thread.gmane.org/gmane.science.nmr.relax.devel/5785/focus=5820.

In summary, for each architecture a simple C file is created, compiled with 'gcc -arch xyz', and the
resultant binary file tested. To support 64-bit compilation on 32-bit systems, all previously
successful architectures are also included in the gcc command.

The change allows the 'ppc64' architecture to be reintroduced.

Expanded and improved the docstring for the relax_disp.r20_from_min_r2eff user function.

This follows from http://thread.gmane.org/gmane.science.nmr.relax.devel/5957.

The documentation now covers a number of the uses for this user function. The text has also been
lightly edited. To fit all the text into the GUI user function window, the size of the dialog and
the text high settings have been changed.

Merged revisions 23631 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r23631 | bugman | 2014-06-04 10:33:20 +0200 (Wed, 04 Jun 2014) | 3 lines

Removal of the docstring text wrapping in the lib.io module.
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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.

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.

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.

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.

Removal of the docstring text wrapping in the lib.io module.