r25387 - /trunk/lib/structure/internal/molecules.py -- August 28, 2014 - 16:29

Author: bugman
Date: Thu Aug 28 16:29:09 2014
New Revision: 25387

URL: http://svn.gna.org/viewcvs/relax?rev=25387&view=rev
Log:
Fix for the MolContainer.fill_object_from_gaussian() method.

This is in the lib.structure.internal.molecules module.  The 
Periodic_table.lookup_z_to_symbol() 
method in the lib.periodic_table module has been renamed to lookup_symbol().


Modified:
    trunk/lib/structure/internal/molecules.py

Modified: trunk/lib/structure/internal/molecules.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/molecules.py?rev=25387&r1=25386&r2=25387&view=diff
==============================================================================
--- trunk/lib/structure/internal/molecules.py   (original)
+++ trunk/lib/structure/internal/molecules.py   Thu Aug 28 16:29:09 2014
@@ -346,7 +346,7 @@
             atom_number, atomic_num, x, y, z = data
 
             # Translate the atomic number to the atom name.
-            atom_name = periodic_table.lookup_z_to_symbol(atomic_num)
+            atom_name = periodic_table.lookup_symbol(atomic_num)
 
             # Add.
             self.atom_add(atom_name=atom_name, atom_num=atom_number, pos=[x, 
y, z], element=atom_name)