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SVN archive Commit Log


Commit Date  
[r20387] by bugman

Fix for the Grace string for the dw dispersion parameter.

2013-07-18 11:16:36 Tree
[r20386] by bugman

The relax_disp.plot_disp_curves user function backend now sets clear legend boxes with smaller text.

2013-07-18 11:12:48 Tree
[r20385] by bugman

The lib.software.grace.write_xy_header() can now set the legend fill pattern and font size.

2013-07-18 11:12:11 Tree
[r20384] by bugman

Updated the model lists for the relax scripts for optimising Flemming Hansen's CPMG data.

The model lists now include the numeric models and the 'CR72 full' model.

2013-07-18 10:25:38 Tree
[r20383] by bugman

Added an upper constraint of 2e6 rad/s for the kex dispersion parameter.

This is to prevent slow optimisation to values in the order of 1e20 for models which fail.

2013-07-18 09:56:58 Tree
[r20382] by bugman

Fix for the model nesting method of the relaxation dispersion auto-analysis for deselected spins.

2013-07-18 09:55:52 Tree
[r20381] by bugman

The Relax_disp.test_hansen_cpmg_data_ns_2site_expanded system test now passes.

The test has been set up to match Relax_disp.test_hansen_cpmg_data_CR72. This allows the efficiency
of each method to be compared by running the tests with the --time flag.

2013-07-17 18:26:45 Tree
[r20380] by bugman

Fixes for the lib.dispersion.ns_2site_expanded module.

These problems were identified using the Relax_disp.test_hansen_cpmg_data_ns_2site_expanded system
test. They correspond to the issues with the original fitting_main_kex.py program identified by
Mathilde Lescanne in her post at http://thread.gmane.org/gmane.science.nmr.relax.devel/4144.

2013-07-17 18:22:45 Tree
[r20379] by bugman

Fixes for the Relax_disp.test_hansen_cpmg_data_auto_analysis system test.

The checks for the 'CR72 red' model are now against the 'CR72' model. And the models optimised only
now include 'No Rex', 'LM63', 'CR72', and 'IT99', massively speeding up the test.

2013-07-17 18:16:47 Tree
[r20378] by bugman

Created system tests for the rest of the numerical dispersion models.

These include Relax_disp.test_hansen_cpmg_data_ns_2site_expanded,
Relax_disp.test_hansen_cpmg_data_ns_2site_star and
Relax_disp.test_hansen_cpmg_data_ns_2site_star_full.

This checks the 'NS 2-site expanded', 'NS 2-site star', and 'NS 2-site star full' numerical
dispersion models against some truncated CPMG data from Flemming Hansen. The parameter checks have
not been updated for the 'NS 2-site expanded' and 'NS 2-site star full' models as there appears to
be bugs.

2013-07-17 18:08:17 Tree
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