r26379 - /trunk/user_functions/structure.py -- October 23, 2014 - 14:17

Author: bugman
Date: Thu Oct 23 14:17:31 2014
New Revision: 26379

URL: http://svn.gna.org/viewcvs/relax?rev=26379&view=rev
Log:
The mol_name argument is now exposed in the structure.add_atom user function.

This has been added as the first argument of the user function to allow new 
molecules to be created
or to allow the atom to be placed into a specific molecule container.  The 
functionality was already
implemented in the backend, so it has been exposed by simply adding a new 
argument definition to the
user function.


Modified:
    trunk/user_functions/structure.py

Modified: trunk/user_functions/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/structure.py?rev=26379&r1=26378&r2=26379&view=diff
==============================================================================
--- trunk/user_functions/structure.py   (original)
+++ trunk/user_functions/structure.py   Thu Oct 23 14:17:31 2014
@@ -54,6 +54,13 @@
 uf = uf_info.add_uf('structure.add_atom')
 uf.title = "Add an atom."
 uf.title_short = "Atom creation."
+uf.add_keyarg(
+    name = "mol_name",
+    py_type = "str",
+    desc_short = "molecule name",
+    desc = "The name of molecule container to create or add the atom to.",
+    can_be_none = True
+)
 uf.add_keyarg(
     name = "atom_name",
     py_type = "str",