r21420 - /trunk/pipe_control/interatomic.py -- November 13, 2013 - 14:58

Author: bugman
Date: Wed Nov 13 14:58:54 2013
New Revision: 21420

URL: http://svn.gna.org/viewcvs/relax?rev=21420&view=rev
Log:
The interatomic loop now skips the element if either of the spin systems are 
deselected.


Modified:
    trunk/pipe_control/interatomic.py

Modified: trunk/pipe_control/interatomic.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/interatomic.py?rev=21420&r1=21419&r2=21420&view=diff
==============================================================================
--- trunk/pipe_control/interatomic.py (original)
+++ trunk/pipe_control/interatomic.py Wed Nov 13 14:58:54 2013
@@ -400,6 +400,10 @@
         res2 =  cdp.mol[mol_index2].res[res_index2]
         spin2 = cdp.mol[mol_index2].res[res_index2].spin[spin_index2]
 
+        # Skip if either spin is deselected.
+        if not spin1.select or not spin2.select:
+            continue
+
         # The different selection combinations.
         if select_obj:
             sel1 = select_obj.contains_spin(spin_name=spin1.name, 
spin_num=spin1.num, res_name=res1.name, res_num=res1.num, mol=mol1.name)