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Commit Date  
[r22075] by bugman

Created the Diffusion_tensor.test_bug_21561_tensor_pdb_failure system test.

This is to catch bug #21561 (https://gna.org/bugs/?21561), as reported by Martin Ballaschk
(https://gna.org/users/mab).

This catches the failure of the structure.create_diff_tensor_pdb user function for non-spherical
diffusion tensors when no Monte Carlo simulations are present.

2014-01-30 16:32:34 Tree
[r22074] by bugman

Fix for the diffusion_tensor.init user function reference in the intro chapter of the manual.

This was using a very old and now non-functional syntax.

2014-01-30 16:23:38 Tree
[r22073] by bugman

Added the double rotor frame order model to the frame_order.select_model user function.

2014-01-30 13:36:43 Tree
[r22072] by bugman

Large refactorisation of the frame order package.

The private methods of the frame order package specific_analyses.frame_order have now all been
shifted into modules. This is to simplify the package by not having huge quantities of code in the
__init__ module. Now the code resides in the api, checks, data, optimisation, parameters, and
user_functions modules.

2014-01-30 10:03:05 Tree
[r22071] by bugman

Created subsets of the CaM double rotor frame order test PCS data.

This consists of data for only 5 spins, and matches those of the other CaM frame order test data.

2014-01-29 17:03:31 Tree
[r22070] by bugman

The CaM double rotor frame order test RDC data now has single quotes around the spin IDs.

This allows the data to be loaded in the Frame_order.test_cam_double_rotor system test.

2014-01-29 16:57:33 Tree
[r22069] by bugman

Merged revisions 22068 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r22068 | bugman | 2014-01-29 17:41:33 +0100 (Wed, 29 Jan 2014) | 5 lines

The behaviour of the rdc.write user function has been changed to output spin ID strings in single quotes.

This is to avoid problems with the '#' molecule identifier and the '#' comment character.
........

2014-01-29 16:55:45 Tree
[r22068] by bugman

The behaviour of the rdc.write user function has been changed to output spin ID strings in single quotes.

This is to avoid problems with the '#' molecule identifier and the '#' comment character.

2014-01-29 16:41:33 Tree
[r22067] by bugman

Created the Frame_order.test_cam_double_rotor system test for the CaM synthetic data.

This will be used to implement the frame order double rotor model.

2014-01-29 16:23:26 Tree
[r22066] by bugman

Fix for the Frame_order.test_generate_rotor2_distribution system test.

The rotation() method now must accept the motion_index keyword argument.

2014-01-29 16:07:10 Tree
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