Menu

SVN archive Commit Log


Commit Date  
[r17116] by bugman

A final fix for bug #19887 (https://gna.org/bugs/?19887).

Now a RelaxError is raised if the number of peak intensities is not the same for all spins. This
occurs in the relaxation curve-fitting overfit_deselect() method.

2012-07-02 10:17:23 Tree
[r17115] by bugman

Partial fix for bug #19887 (https://gna.org/bugs/?19887).

The problem is that the number of peak height values was not the same for all spins!

The error message was being caused by the math_fns.relax_fit C object 'setup' function being feed in
incorrect values, causing relax to fail directly after the setup() call in
specific_fns.relax_fit.minimise(). The number of points was being taken from cdp.relax_times, but
in the Relax_fit.test_bug_19887_curvefit_fail system test, one of the 3 spins has 4 points rather
than 5. Now the correct number is sent into setup().

2012-07-02 10:03:02 Tree
[r17114] by bugman

Created a system test to replicate Romel Bobby's bug #19887.

This is the bug report at https://gna.org/bugs/?19887.

2012-07-02 09:14:28 Tree
[r17113] by bugman

Fixes for all the Relax_data system tests for the interatomic data design.

2012-06-28 18:04:03 Tree
[r17112] by bugman

Fix for the Modelim.test_te_200ns() system test for the interatomic data design.

2012-06-28 18:01:26 Tree
[r17111] by bugman

Updated the OMP model-free results XML files for the interatomic data container select flag.

The old files were missing the select flag.

2012-06-28 17:56:57 Tree
[r17110] by bugman

Fix for the model-free _determine_model_type() method.

This should skip deselected spin rather than spins without relaxation data!

2012-06-28 17:44:16 Tree
[r17109] by bugman

Converted the Rdc.test_rdc_load() system test to the interatomic data design.

2012-06-28 16:35:37 Tree
[r17108] by bugman

Converted another test suite RDC data file to the interatomic data design.

2012-06-28 16:35:01 Tree
[r17107] by bugman

Fix for the rdc.read user function - values and errors of None in the file are supported again.

This was broken with the interatomic data redesign.

2012-06-28 16:34:19 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.