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SVN archive Commit Log


Commit Date  
[r21774] by bugman

Removed the 'MMQ 3-site branched' and 'MMQ 3-site linear' models from the to do list in the manual.

These two dispersion models are now implemented.

2013-12-04 13:58:49 Tree
[r21773] by bugman

Renamed all remaining instances of 'MMQ 2-site' to 'NS MMQ 2-site'.

This is simply changing variable, method and module names.

2013-12-04 13:37:52 Tree
[r21772] by bugman

Renamed the 'MMQ 2-site' model to 'NS MMQ 2-site'.

This is so that the name matches those of the 'NS MMQ 3-site linear' and 'NS MMQ 3-site' models.

2013-12-04 13:19:23 Tree
[r21771] by bugman

Created the Relax_disp.test_ns_mmq_3site_linear system test and modified Relax_disp.test_ns_mmq_3site.

The Relax_disp.test_ns_mmq_3site_linear system test uses the old data from the directory
test_suite/shared_data/dispersion/ns_mmq_3site/, as this had kAC = 0, now copied into the
ns_mmq_3site_linear/ directory. This system test uses the 'NS MMQ 3-site linear' model.

The base data generated by cpmg_fit for the Relax_disp.test_ns_mmq_3site system test was modified so
that kAC is no longer 0, but set to 1000. This should properly test the 'NS MMQ 3-site' model.

2013-12-04 12:57:25 Tree
[r21770] by bugman

Renamed the 'ns_mmq_3site_branched' dispersion test data directory to 'ns_mmq_3site'.

2013-12-04 11:21:09 Tree
[r21769] by bugman

Speed up of the Relax_disp.test_ns_mmq_3site system test.

The relax_disp.plot_disp_curves user function call is now skipped as it takes too long.

2013-12-04 11:19:37 Tree
[r21768] by bugman

Loosened the chi-squared check of the Relax_disp.test_ns_mmq_3site system test to allow it to pass.

2013-12-04 11:19:05 Tree
[r21767] by bugman

Another fix for the 'NS MMQ 3-site' dispersion models.

The creation of the Z- matrix had a copy and paste error in that the heteronuclear chemical shift
sign was negated when it should be positive. This was only in one of the two chemical shift
numbers.

2013-12-04 11:16:24 Tree
[r21766] by bugman

Bug fixes for the dispersion analysis when certain data sets are completely missing.

2013-12-04 10:51:08 Tree
[r21765] by bugman

Removed a debugging printout.

2013-12-04 10:30:01 Tree
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