r5366 - /1.3/generic_fns/structure/mass.py -- April 07, 2008 - 16:33

Author: bugman
Date: Mon Apr  7 16:33:13 2008
New Revision: 5366

URL: http://svn.gna.org/viewcvs/relax?rev=5366&view=rev
Log:
Fixes for the centre of mass function.


Modified:
    1.3/generic_fns/structure/mass.py

Modified: 1.3/generic_fns/structure/mass.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/mass.py?rev=5366&r1=5365&r2=5366&view=diff
==============================================================================
--- 1.3/generic_fns/structure/mass.py (original)
+++ 1.3/generic_fns/structure/mass.py Mon Apr  7 16:33:13 2008
@@ -93,13 +93,13 @@
             continue
 
         # Atomic mass.
-        mass = return_atomic_mass(atom.properties['element'])
+        mass = return_atomic_mass(atom_name)
 
         # Total mass.
         M = M + mass
 
         # Sum of mass * position.
-        R = R + mass * atom.position.array
+        R = R + mass * pos
 
     # Normalise.
     R = R / M