These rather important changes might be a good reason to finish the 'disp_speed' branch quickly, so that I can merge it back to trunk and then release relax 3.2.2 as a major bugfix release :)
Regards, Edward On 22 May 2014 19:15, <[email protected]> wrote: > Author: tlinnet > Date: Thu May 22 19:15:34 2014 > New Revision: 23357 > > URL: http://svn.gna.org/viewcvs/relax?rev=23357&view=rev > Log: > Critical fix for the math domain catching of model B14. > > This was discovered with the added 7 unit tests demonstrating edge case 'no > Rex' failures. > > This follows from the ideas in the post > http://article.gmane.org/gmane.science.nmr.relax.devel/5858. > This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of > dispersion models. > > This is to implement catching of math domain errors, before they occur. > > Modified: > branches/disp_speed/lib/dispersion/b14.py > > Modified: branches/disp_speed/lib/dispersion/b14.py > URL: > http://svn.gna.org/viewcvs/relax/branches/disp_speed/lib/dispersion/b14.py?rev=23357&r1=23356&r2=23357&view=diff > ============================================================================== > --- branches/disp_speed/lib/dispersion/b14.py (original) > +++ branches/disp_speed/lib/dispersion/b14.py Thu May 22 19:15:34 2014 > @@ -147,6 +147,10 @@ > @type num_points: int > """ > > + # Catch parameter values that will result in no exchange, returning flat > R2eff = R20 lines (when kex = 0.0, k_AB = 0.0). > + if dw == 0.0 or pA == 1.0 or k_AB == 0.0: > + return array([r20a]*num_points) > + > # Repetitive calculations (to speed up calculations). > deltaR2 = r20a - r20b > > > > _______________________________________________ > 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
