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Commit Date  
[r23395] by bugman

Changed the average domain position parameter values in the CaM frame order system tests.

This is in the base script used by all scripts in test_suite/system_tests/scripts/frame_order/cam/.
The translation vector coordinates are now set, as well as the CoM Euler angle rotations. These
come from the log file of the test_suite/shared_data/frame_order/cam/superimpose.py script, and are
needed due to the simplification of the average domain position mechanics now mimicking the Kabsch
superimposition algorithm.

2014-05-24 07:14:53 Tree
[r23394] by bugman

Improved the value setting in the optimisation() method of the CaM frame order system tests.

This is in the base script used by all scripts in test_suite/system_tests/scripts/frame_order/cam/.

2014-05-24 07:11:48 Tree
[r23393] by bugman

Merged revisions 23392 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23392 | bugman | 2014-05-24 08:53:35 +0200 (Sat, 24 May 2014) | 3 lines

All three file arguments for the pymol.frame_order user function are now optional.
........

2014-05-24 06:55:33 Tree
[r23392] by bugman

All three file arguments for the pymol.frame_order user function are now optional.

2014-05-24 06:53:35 Tree
[r23391] by bugman

Missing import from the trunk merge.

2014-05-23 18:09:10 Tree
[r23390] by bugman

Merged revisions 23389 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r23389 | bugman | 2014-05-23 19:39:53 +0200 (Fri, 23 May 2014) | 6 lines

Small speed up for all the isotropic cone and pseudo-elliptic cone frame order models.

The vector length calculation for the numeric PCS integration has been simplified and shifted
outside of a loop to take advantage of the speed of numpy.
........

2014-05-23 18:08:25 Tree
[r23389] by bugman

Small speed up for all the isotropic cone and pseudo-elliptic cone frame order models.

The vector length calculation for the numeric PCS integration has been simplified and shifted
outside of a loop to take advantage of the speed of numpy.

2014-05-23 17:39:53 Tree
[r23388] by bugman

Large increase in precision for the CaM frame order pseudo-ellipse model test data set.

The higher precision is because the number structures in the distribution is now 20 million rather
than 1 million and the numpy.float128 data averaging has been used.

2014-05-23 15:38:34 Tree
[r23387] by bugman

Faster clearing of numpy arrays in the lib.frame_order modules.

The x[:] = 0.0 notation is now used to set all elements to zero, rather than nested looping over all
dimensions. This however has a negligible effect on the test suite timings.

2014-05-23 14:55:52 Tree
[r23386] by bugman

Merged revisions 23379 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r23379 | bugman | 2014-05-23 14:45:43 +0200 (Fri, 23 May 2014) | 6 lines

Backported the relax 3.2.1 CHANGES file changes to trunk.

The command used was:
svn merge -r23376:23377 svn+ssh://bugman@.../svn/relax/tags/3.2.1 .
........

2014-05-23 14:11:51 Tree
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