r17128 - /branches/interatomic/generic_fns/interatomic.py -- July 02, 2012 - 17:17

Author: bugman
Date: Mon Jul  2 17:17:51 2012
New Revision: 17128

URL: http://svn.gna.org/viewcvs/relax?rev=17128&view=rev
Log:
Improvement for the generic_fns.interatomic.return_interatom_list() function.

The spin ID matching is now through the id_match() function, allowing unique 
but different spin IDs
to be used.  This now matches the return_interatom() behaviour.


Modified:
    branches/interatomic/generic_fns/interatomic.py

Modified: branches/interatomic/generic_fns/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/interatomic.py?rev=17128&r1=17127&r2=17128&view=diff
==============================================================================
--- branches/interatomic/generic_fns/interatomic.py (original)
+++ branches/interatomic/generic_fns/interatomic.py Mon Jul  2 17:17:51 2012
@@ -315,7 +315,7 @@
 
     # Find and append all containers.
     for i in range(len(dp.interatomic)):
-        if dp.interatomic[i].spin_id1 == spin_id or 
dp.interatomic[i].spin_id2 == spin_id:
+        if id_match(spin_id=spin_id, interatom=dp.interatomic[i], pipe=pipe) 
or id_match(spin_id=spin_id, interatom=dp.interatomic[i], pipe=pipe):
             interatoms.append(dp.interatomic[i])
 
     # Return the list of containers.