Author: tlinnet Date: Tue Oct 7 21:35:03 2014 New Revision: 26197 URL: http://svn.gna.org/viewcvs/relax?rev=26197&view=rev Log: Critical fix, for k_AB not belonging to list of global parameters.
k_AB was only changed to the spin of interest, but not for the rest of the cluster. When the parameter vector is assembled, "assemble_param_vector(spins=spins)" it takes the global parameter from spin 0. Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate() does not calculate chi2 value for clustered residues. Modified: trunk/specific_analyses/relax_disp/api.py Modified: trunk/specific_analyses/relax_disp/api.py URL: http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=26197&r1=26196&r2=26197&view=diff ============================================================================== --- trunk/specific_analyses/relax_disp/api.py (original) +++ trunk/specific_analyses/relax_disp/api.py Tue Oct 7 21:35:03 2014 @@ -1192,7 +1192,7 @@ raise RelaxError("The parameter '%s' is not valid for this data pipe type." % param_i) # If the parameter is a global parameter, then change for all spins part of the cluster. - if param_i in ['pA', 'kex', 'tex', 'kB', 'kC', 'kex_AB', 'kex_BC', 'kex_AC']: + if param_i in ['pA', 'kex', 'k_AB', 'tex', 'kB', 'kC', 'kex_AB', 'kex_BC', 'kex_AC']: selection_list = spin_ids else: selection_list = [spin_id] _______________________________________________ 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
