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)
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