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SVN archive Commit Log


Commit Date  
[r20712] by bugman

The self.field_pre_run_dir GUI element is now deactivate with the execution lock.

2013-08-29 14:46:21 Tree
[r20711] by bugman

Increased the grid search size in the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test.

The previous two commits causes the optimisation to fail with the smaller grid size.

2013-08-29 13:58:40 Tree
[r20710] by bugman

The TP02 dispersion model now assumes the chemical shift is that of the major population A.

Previously the linear chemical shift average was assumed.

2013-08-29 13:57:35 Tree
[r20709] by bugman

Fix for the synthetic data for the TP02 dispersion model.

The chemical shift is being set to that of state A, the major species, rather than the non-weighted
chemical shift average. This could also have been set to the population weighted average.

2013-08-29 13:47:36 Tree
[r20708] by bugman

Attempt at fixing bug #21080 (https://gna.org/bugs/?21080).

This was reported by Troels Linnet.

The problem is a standard GUI problem. The text from a wxPython GUI is a unicode string. But relax
requires standard strings. Therefore the gui.string_conv.gui_to_str() function needs to be used on
the return value of the GUI element GetValue() method, but this call was forgotten.

2013-08-29 11:55:16 Tree
[r20707] by bugman

Fix for the TP02 dispersion model.

The rotating frame tilt angle for this model is calculated from the population averaged chemical
shift and not the equal weighted average.

2013-08-28 16:43:28 Tree
[r20706] by bugman

Turned off clustering in the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test.

This speeds the test up by more than half.

2013-08-28 16:41:02 Tree
[r20705] by bugman

Fixes for the parameter checks in the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test.

The parameter values had not been updated from when the test was copied from one of the other tests.

2013-08-28 16:40:20 Tree
[r20704] by bugman

Fix for the synthetic data for the TP02 dispersion model.

The nitrogen chemical shift was not converted from ppm to rad/s before being used to calculate the
offsets.

2013-08-28 15:25:59 Tree
[r20703] by bugman

Comment fix for the loop_cluster() function.

2013-08-28 12:04:22 Tree
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