mailr13748 - /1.3/specific_fns/relax_fit.py


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

Header


Content

Posted by edward on July 19, 2011 - 17:58:
Author: bugman
Date: Tue Jul 19 17:58:00 2011
New Revision: 13748

URL: http://svn.gna.org/viewcvs/relax?rev=13748&view=rev
Log:
The relax_fit overfit_deselect() method now skips deselected spins.

This prevents unnecessary warnings about missing data for deselected spins.


Modified:
    1.3/specific_fns/relax_fit.py

Modified: 1.3/specific_fns/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/relax_fit.py?rev=13748&r1=13747&r2=13748&view=diff
==============================================================================
--- 1.3/specific_fns/relax_fit.py (original)
+++ 1.3/specific_fns/relax_fit.py Tue Jul 19 17:58:00 2011
@@ -901,6 +901,10 @@
 
         # Loop over spin data.
         for spin, spin_id in spin_loop(return_id=True):
+            # Skip deselected spins.
+            if not spin.select:
+                continue
+
             # Check if data exists.
             if not hasattr(spin, 'intensities'):
                 warn(RelaxDeselectWarning(spin_id, 'missing intensity data'))




Related Messages


Powered by MHonArc, Updated Tue Jul 19 18:20:02 2011