mailr17051 - /branches/interatomic/data/mol_res_spin.py


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Posted by edward on June 25, 2012 - 12:50:
Author: bugman
Date: Mon Jun 25 12:50:05 2012
New Revision: 17051

URL: http://svn.gna.org/viewcvs/relax?rev=17051&view=rev
Log:
Fix for the XML loading backwards compatibility hook for the 
return_interatom() changes.


Modified:
    branches/interatomic/data/mol_res_spin.py

Modified: branches/interatomic/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/data/mol_res_spin.py?rev=17051&r1=17050&r2=17051&view=diff
==============================================================================
--- branches/interatomic/data/mol_res_spin.py (original)
+++ branches/interatomic/data/mol_res_spin.py Mon Jun 25 12:50:05 2012
@@ -670,16 +670,14 @@
 
                     # Get the interatomic data container.
                     interatom = 
generic_fns.interatomic.return_interatom(spin_id1=spin_id1, spin_id2=spin_id2)
-                    if len(interatom) != 1:
-                        raise RelaxError("Only one interatomic interaction 
is allowed.")
 
                     # Set the interatomic distance.
                     if hasattr(spin, 'r'):
-                        interatom[0].r = spin.r
+                        interatom.r = spin.r
 
                     # Set the interatomic unit vectors.
                     if hasattr(spin, 'xh_vect'):
-                        interatom[0].vector = spin.xh_vect
+                        interatom.vector = spin.xh_vect
 
                 # Delete the old structures.
                 if hasattr(spin, 'heteronuc_type'):




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