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Commit Date  
[r13931] by han87

Changing the value of the unit arg in the function 'vectors' in 'prompt/structure.py'

The argument of the keyword 'unit' in the function 'vectors' in 'prompt/structure.py' has been changed back from 'False' to 'True' since it causes many test failure.

2011-07-27 15:51:49 Tree
[r13930] by bugman

Merged revisions 13926-13927,13929 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

........
r13926 | bugman | 2011-07-27 16:01:22 +0200 (Wed, 27 Jul 2011) | 5 lines

The create_molecule, create_residue, and create_spin functions now returned the created container.

This should not affect any of the current code using these, as normally None would be returned.
........
r13927 | bugman | 2011-07-27 16:05:49 +0200 (Wed, 27 Jul 2011) | 6 lines

Invisible fix for the test_opendx_theta_phi_da() system test.

The spins are extracted from the structure, so they don't need to be read from the relaxation data
file as well. This is causing problems in the xyz branch, but is not an issue in the main line.
........
r13929 | bugman | 2011-07-27 16:15:41 +0200 (Wed, 27 Jul 2011) | 3 lines

Modified the create_spin() function to overwrite the first spin if empty.
........

2011-07-27 14:20:20 Tree
[r13929] by bugman

Modified the create_spin() function to overwrite the first spin if empty.

2011-07-27 14:15:41 Tree
[r13928] by bugman

Fix for the dauvergne_protocol auto-analysis - the analysis status is in status.auto_analysis!

2011-07-27 14:14:57 Tree
[r13927] by bugman

Invisible fix for the test_opendx_theta_phi_da() system test.

The spins are extracted from the structure, so they don't need to be read from the relaxation data
file as well. This is causing problems in the xyz branch, but is not an issue in the main line.

2011-07-27 14:05:49 Tree
[r13926] by bugman

The create_molecule, create_residue, and create_spin functions now returned the created container.

This should not affect any of the current code using these, as normally None would be returned.

2011-07-27 14:01:22 Tree
[r13925] by bugman

Created transparent background images of the diffusion tensors for the model-free auto-analysis tab.

2011-07-27 09:19:26 Tree
[r13924] by han87

Deleting the function 'vector_xyz' in the generic_fns/structure/main.py

The code of the function 'vector_xyz' was removed since it will be not used.

2011-07-27 09:17:48 Tree
[r13923] by bugman

Added a series of 4 buttons for calling value.set in the model-free auto-analysis tab.

This is to make it obvious that the CSA, bond length, heteronucleus type, and proton type need to be
set.

2011-07-27 09:08:13 Tree
[r13922] by bugman

A number of improvements to the value.set GUI user function.

The on_display() method has been renamed to update_parameters() so the parameter list can be
updated only when needed. The set_param() method has been added to set a starting parameter and its
default value.

2011-07-27 08:51:19 Tree
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