mailr21247 - /branches/relax_disp/specific_analyses/relax_disp/optimisation.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on October 27, 2013 - 15:09:
Author: bugman
Date: Sun Oct 27 15:09:18 2013
New Revision: 21247

URL: http://svn.gna.org/viewcvs/relax?rev=21247&view=rev
Log:
Proper handling of the back-calculated dispersion data for the new 'MMQ 
2-site' model.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/optimisation.py

Modified: branches/relax_disp/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/optimisation.py?rev=21247&r1=21246&r2=21247&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/optimisation.py 
(original)
+++ branches/relax_disp/specific_analyses/relax_disp/optimisation.py Sun Oct 
27 15:09:18 2013
@@ -495,7 +495,10 @@
                     key = return_param_key_from_data(frq=frq, point=point)
 
                     # Store the back-calculated data.
-                    spin.r2eff_bc[key] = self.back_calc[spin_index, 
frq_index, disp_pt_index]
+                    if not spins[0].model in [MODEL_MMQ_2SITE]:
+                        spin.r2eff_bc[key] = self.back_calc[exp_type_index, 
spin_index, frq_index, disp_pt_index]
+                    else:
+                        spin.r2eff_bc[key] = self.back_calc[spin_index, 
frq_index, disp_pt_index]
 
         # Optimisation printout.
         if memo.verbosity:




Related Messages


Powered by MHonArc, Updated Sun Oct 27 15:20:01 2013