Re: r22938 - /trunk/specific_analyses/relax_disp/variables.py -- May 04, 2014 - 11:00

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,  <tlinnet@xxxxxxxxxxxxx> 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
> relax-commits@xxxxxxx
>
> 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