Menu

SVN archive Commit Log


Commit Date  
[r25075] by tlinnet

Added a function to determine how to nest/copy the parameters, when nesting from another model.

It takes the list of parameters from the current model, and the list of parameters available in the nested model,
and return a dictionary of parameter conversion for the current model params.

2014-08-19 13:23:24 Tree
[r25074] by bugman

Added a relaxation dispersion example to show how certain literature statements are just utter crap!

This follows from http://thread.gmane.org/gmane.science.nmr.relax.scm/22774/focus=6693, and the
commit r25024 (http://thread.gmane.org/gmane.science.nmr.relax.scm/22774) which implement such
dangerous literature conjectures. To see how a real minimum is excluded from the optimisation
space, here for residue :2, execute the R1rho_analysis.py script in relax.

This is synthetic data generated with kex = 1e5 assuming the model TP02. For the case of residue
:2, this still produces an optimisable minimum in the space and dispersion curves. However r25024
blocks optimisation to the minimum.

2014-08-19 13:03:28 Tree
[r25073] by tlinnet

Added initial python script, to help print each model and its corresponding nested models.

It can be executed by:
relax test_suite/shared_data/dispersion/print_model_info/print_model_info.py

2014-08-19 11:32:02 Tree
[r25072] by tlinnet

Modified nesting function, to pull list of possible models from dictionary, and check if these models are
available in the completed models.

2014-08-19 11:32:00 Tree
[r25071] by tlinnet

Modified unit test regarding finding correct nested model.

This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6684
More specific, thread:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6694

2014-08-19 11:31:58 Tree
[r25070] by tlinnet

Modified the defined list of nesting, according to thread:

http://thread.gmane.org/gmane.science.nmr.relax.devel/6684

More specific, thread:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6694

2014-08-19 11:31:56 Tree
[r25069] by tlinnet

Added the ordered list of nest models to the class of model information.

2014-08-19 11:31:54 Tree
[r25068] by tlinnet

Division of unit tests of specific_analyses/relax_disp/model.py into different functions.

Also added more print information to each tests.

2014-08-19 09:44:10 Tree
[r25067] by tlinnet

Moved the lookup in dictionarys for model information, into the class of model info.

2014-08-19 09:44:07 Tree
[r25066] by tlinnet

Added definition and dictionary, for each model, to determine which model they nest from.

This is better to Hard-code, since it makes it possible to produce a table with an overview,
and accurately determine which model is nested from.

This is discussed in thread.
http://thread.gmane.org/gmane.science.nmr.relax.devel/6684

2014-08-19 08:54:10 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.