mailr17049 - /branches/interatomic/generic_fns/dipole_pair.py


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

Header


Content

Posted by edward on June 25, 2012 - 12:40:
Author: bugman
Date: Mon Jun 25 12:40:21 2012
New Revision: 17049

URL: http://svn.gna.org/viewcvs/relax?rev=17049&view=rev
Log:
Fix for the dipole_pair.define user function backend for the 
return_interatom() changes.


Modified:
    branches/interatomic/generic_fns/dipole_pair.py

Modified: branches/interatomic/generic_fns/dipole_pair.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/dipole_pair.py?rev=17049&r1=17048&r2=17049&view=diff
==============================================================================
--- branches/interatomic/generic_fns/dipole_pair.py (original)
+++ branches/interatomic/generic_fns/dipole_pair.py Mon Jun 25 12:40:21 2012
@@ -84,20 +84,11 @@
                         continue
 
             # Get the interatomic data object, if it exists.
-            interatoms = return_interatom(id1, id2)
+            interatom = return_interatom(id1, id2)
 
             # Create the container if needed.
-            if not len(interatoms):
+            if interatom == None:
                 interatom = create_interatom(spin_id1=id1, spin_id2=id2)
-
-            # Check the single container and alias it.
-            else:
-                # The check.
-                if len(interatoms) > 1:
-                    raise RelaxError("Multiple interatomic data containers 
found.")
-
-                # Alias.
-                interatom = interatoms[0]
 
             # Check that this has not already been set up.
             if interatom.dipole_pair:




Related Messages


Powered by MHonArc, Updated Mon Jun 25 13:00:02 2012