Menu

SVN archive Commit Log


Commit Date  
[r25124] by tlinnet

Inserted systemtest Relax_disp.test_model_nesting_and_param() which will
go through all models, and then through all it nested models, testing that all parameters have a conversion.

2014-08-20 19:06:37 Tree
[r25123] by tlinnet

Implemented the nesting of parameters from a model with fewer chemical sites when nesting for NS R1rho 3sites.

2014-08-20 19:06:33 Tree
[r25122] by tlinnet

Implemented the special flag '1 - pA', when nesting parameters from models with fewer chemical sites.

2014-08-20 19:06:31 Tree
[r25121] by tlinnet

Modified to unit test, that when model:
MODEL_PARAMS_NS_R1RHO_3SITE

nest from:
MODEL_PARAMS_NS_R1RHO_2SITE

the conversion should be:
'r2', 'r2'
'pA', 'pA'
'dw_AB', 'dw'
'kex_AB', 'kex'
'pB', '1 - pA'
'dw_BC', 'dw'
'kex_BC', 'kex'
'kex_AC', 'kex'

Here '1 - pA' is a special conversion flag.

2014-08-20 19:06:29 Tree
[r25120] by tlinnet

Fix to unit test, after MODEL_NS_CPMG_2SITE_EXPANDED has been preferred over other numerical CPMG models.

2014-08-20 19:06:27 Tree
[r25119] by tlinnet

Modified the nesting for 'NS MMQ 3-site linear'.

'NS MMQ 3-site linear' should be able to nest from 'NS MMQ 3-site'.

2014-08-20 17:47:51 Tree
[r25118] by bugman

Fixes for indentation accidentally committed at r25108.

This can be seen at http://thread.gmane.org/gmane.science.nmr.relax.scm/22858.

A Vim command was accidentally typed which removed one level of indentation.

2014-08-20 17:33:47 Tree
[r25117] by tlinnet

Modified that 'NS CPMG 2-site expanded' will be preferred before 'NS CPMG 2-site 3D' and 'NS CPMG 2-site star'.

2014-08-20 17:33:41 Tree
[r25116] by bugman

The r1_fit flag is stored in the Disp_minimise_command class and passed into the target function.

This matches the details at http://thread.gmane.org/gmane.science.nmr.relax.scm/22850/focus=6736.

The specific_analyses.relax_disp.optimisation.Disp_minimise_command class calls is_r1_optimised()
and stores the result. This is then passed into the relaxation dispersion target function class.

2014-08-20 17:21:05 Tree
[r25115] by bugman

Fix for the misspelled is_r1_optimised() function.

2014-08-20 17:18:17 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.