Commit | Date | |
---|---|---|
2014-05-22 17:39:22 | Tree | |
[r23359]
by
tlinnet
Unit test _lib/_dispersion/test_b14.py copied to _lib/_dispersion/test_cr72.py. They are both of CPMG type, and can be re-used. |
2014-05-22 17:27:31 | Tree |
[r23358]
by
tlinnet
Removed unnecessary math domain checking in model B14. They are slowing down the code. There is now protection for edge cases, and a last final check, before returning values. That should be sufficient. |
2014-05-22 17:15:36 | Tree |
[r23357]
by
tlinnet
Critical fix for the math domain catching of model B14. This was discovered with the added 7 unit tests demonstrating edge case 'no Rex' failures. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is to implement catching of math domain errors, before they occur. |
2014-05-22 17:15:34 | Tree |
[r23356]
by
tlinnet
Added 7 unit tests demonstrating edge case 'no Rex' failures of the model 'B14'. This follows from the ideas in the post http://article.gmane.org/gmane.science.nmr.relax.devel/5858. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: - dw = 0.0, |
2014-05-22 17:15:32 | Tree |
[r23355]
by
bugman
The average domain rotation centroid is printed out when setting up the frame order target functions. This is to help the user understand what is happening in the analysis. |
2014-05-22 16:46:51 | Tree |
[r23354]
by
bugman
Updated the CaM frame order test model superimposition script. The Ca2+ atoms are now deleted from the structures before superimposition so that the centroid |
2014-05-22 16:37:42 | Tree |
2014-05-22 16:33:30 | Tree | |
2014-05-22 16:31:35 | Tree | |
[r23351]
by
tlinnet
Unit test _lib/_dispersion/test_ns_cpmg_2site_expanded.py copied to _lib/_dispersion/b14.py. They are both of CPMG type, and can be re-used. |
2014-05-22 16:30:53 | Tree |