Commit | Date | |
---|---|---|
[r23429]
by
bugman
Small speed up for the frame order target functions for most models. The rotation matrix corresponding to each Sobol' point for the numerical integration is now |
2014-05-26 17:07:55 | Tree |
[r23428]
by
bugman
Preformed a frame order analysis on the 2nd CaM free-rotor model test data. This is to check that everything is operating as expected. |
2014-05-26 16:15:06 | Tree |
[r23427]
by
bugman
The minimisation verbosity flag now effects the frame order RelaxWarning about turning constraints off. |
2014-05-26 15:00:03 | Tree |
[r23426]
by
tlinnet
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model 'M61'. 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, |
2014-05-26 14:27:30 | Tree |
2014-05-26 14:27:27 | Tree | |
[r23424]
by
bugman
Increased the precision of the chi-squared value testing in the CaM frame order system tests. The check_chi2 method has been modified so that the chi-squared value is no longer scaled, and the |
2014-05-26 14:24:42 | Tree |
[r23423]
by
bugman
Updated the 2nd CaM free-rotor frame order system tests for the correct average domain position. The chi-squared values are now significantly lower. |
2014-05-26 13:37:55 | Tree |
[r23422]
by
bugman
Fixes for the 2nd frame order free-rotor system tests. The average domain position parameters are now set to the correct values, matching those in the |
2014-05-26 13:23:37 | Tree |
[r23421]
by
bugman
Optimisation of the average domain position for the CaM frame order free-rotor models. The log file that shows the optimisation of the average domain position for the free-rotor models To perform the optimisation, the axis_theta and axis_phi parameters were removed from the model and |
2014-05-26 13:20:04 | Tree |
[r23420]
by
tlinnet
Small fix for 8 unit tests demonstrating edge case 'no Rex' failures of the model 'ns cpmg_2site_expanded'. The comparison of R2eff is now divided into a special case for kex having large values. |
2014-05-26 12:41:52 | Tree |