mailr21575 - /branches/relax_disp/specific_analyses/relax_disp/api.py


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

Header


Content

Posted by edward on November 21, 2013 - 14:20:
Author: bugman
Date: Thu Nov 21 14:20:44 2013
New Revision: 21575

URL: http://svn.gna.org/viewcvs/relax?rev=21575&view=rev
Log:
Bug fix for the dispersion calculate user function (introduced at r21573).


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

Modified: branches/relax_disp/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?rev=21575&r1=21574&r2=21575&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/api.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/api.py Thu Nov 21 
14:20:44 2013
@@ -739,6 +739,10 @@
 
             # Loop over all spins.
             for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
+                # Skip protons for MMQ data.
+                if spin.model in MODEL_LIST_MMQ and spin.isotope == '1H':
+                    continue
+
                 # Get the attached proton.
                 proton = None
                 if proton_mmq_flag:




Related Messages


Powered by MHonArc, Updated Thu Nov 21 14:40:03 2013