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Commit Date  
[r18652] by bugman

The frame order auto-analysis now prints out the average domain position translation as well.

2013-03-05 17:43:44 Tree
[r18651] by bugman

Changed how the free rotor models are handled in the CaM frame order system tests.

As the {a, b, g} -> {0, b', g'} angle conversion is incredibly complex, instead of guessing b' and
g' for the tests (via optimisations), the original structure is rotated via {a, b, g} to the real
average position and b' and g' set to zero.

2013-03-05 17:29:39 Tree
[r18650] by bugman

Updated the CaM frame order system tests for the change in how the domain rotation is handled.

This is for the free rotor and isotropic cone free rotor models.

2013-03-05 17:19:10 Tree
[r18649] by bugman

The progress printouts in the CaM frame order data generation script now go to STDERR of the terminal.

2013-03-05 15:47:37 Tree
[r18648] by bugman

Updated the CaM frame order test suite data generation script.

The script was no longer compatible with the current design of relax.

2013-03-05 15:46:47 Tree
[r18647] by bugman

Merged revisions 18646 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18646 | bugman | 2013-03-05 16:40:28 +0100 (Tue, 05 Mar 2013) | 5 lines

Updated the float module to handle numpy floats.

This makes the floatToBinaryString() function compatible with the numpy.float16 type.
........

2013-03-05 15:41:00 Tree
[r18646] by bugman

Updated the float module to handle numpy floats.

This makes the floatToBinaryString() function compatible with the numpy.float16 type.

2013-03-05 15:40:28 Tree
[r18645] by bugman

Updated the CaM frame order system test chi2 values for the PCS data subsets.

As much less data is being used, the chi2 value is forced to be different.

2013-03-05 15:05:46 Tree
[r18644] by bugman

Updated the CaM frame order test data full_analysis.py script to use frame_order.average_position.

The script was using the older frame_order.ave_pos_translate user function instead.

2013-03-05 15:04:41 Tree
[r18643] by bugman

For the frame order displacement test suite data, an optimisation script has been added.

This is to verify this data through the auto-analysis, but it is not part of the test suite as these
tests are insanely slow (~8 hours on one machine).

2013-03-05 14:51:35 Tree
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