Hi Troels, The logic here needs to be changed. The MODEL_LIST_NUMERIC_CPMG list should be reserved for numeric CPMG models only, but the B14 model is an analytic model. This could cause problems in the future. There are probably 2 correct ways to implement this idea:
- The first and probably best is to not modify specific_analyses/relax_disp/variables.py, but to instead check if the model is in MODEL_LIST_NUMERIC_CPMG + [MODEL_M14]. There are only two places in relax, both in the specific_analyses.relax_disp.data.plot_disp_curves() function, where MODEL_LIST_NUMERIC_CPMG is used and this logic can replace it ($ ./devel_scripts/grep_tree MODEL_LIST_NUMERIC_CPMG). The reason why the commit is dangerous is if MODEL_LIST_NUMERIC_CPMG is used in the future but the assumption is made that it is only numeric models. I have though about using this for automatically generating parts of the GUI or the relax_disp.select_model user function documentation. - The second option is to create a new MODEL_LIST_? list specifically for this purpose. But as the logic is only needed in the specific_analyses.relax_disp.data.plot_disp_curves() function, I don't think this is really necessary. It is a more elegant solution though. Cheers, Edward On 3 May 2014 21:35, <[email protected]> wrote: > Author: tlinnet > Date: Sat May 3 21:35:05 2014 > New Revision: 22938 > > URL: http://svn.gna.org/viewcvs/relax?rev=22938&view=rev > Log: > Added model B14 to the list of MODEL_LIST_NUMERIC_CPMG. > > sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) > B14 model - 2-site exact solution model for all time scales. > > "This follows the tutorial for adding relaxation dispersion models at: > http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax"; > > Model B14, uses the number of ncyc/CPMG blocks in its analytical equation. > To pass this information correct and calculate the ncyc power, it should be > in this list. > > The B14 model is explained in: http://wiki.nmr-relax.com/B14. > > Modified: > trunk/specific_analyses/relax_disp/variables.py > > Modified: trunk/specific_analyses/relax_disp/variables.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/variables.py?rev=22938&r1=22937&r2=22938&view=diff > ============================================================================== > --- trunk/specific_analyses/relax_disp/variables.py (original) > +++ trunk/specific_analyses/relax_disp/variables.py Sat May 3 21:35:05 > 2014 > @@ -208,7 +208,7 @@ > MODEL_LIST_NUMERIC = [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, > MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, > MODEL_NS_MMQ_3SITE_LINEAR] > """The list of all numeric models.""" > > -MODEL_LIST_NUMERIC_CPMG = [MODEL_NS_CPMG_2SITE_3D, > MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, > MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] > +MODEL_LIST_NUMERIC_CPMG = [MODEL_B14, MODEL_NS_CPMG_2SITE_3D, > MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, > MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR] > """The list of all numeric models.""" > > # Full model description list. > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
