Author: bugman Date: Thu Oct 23 15:05:19 2014 New Revision: 26385 URL: http://svn.gna.org/viewcvs/relax?rev=26385&view=rev Log: Merged revisions 26379 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r26379 | bugman | 2014-10-23 14:17:31 +0200 (Thu, 23 Oct 2014) | 8 lines 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: branches/frame_order_cleanup/ (props changed) branches/frame_order_cleanup/user_functions/structure.py Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Thu Oct 23 15:05:19 2014 @@ -1 +1 @@ -/trunk:1-26370,26373-26374 +/trunk:1-26370,26373-26374,26379 Modified: branches/frame_order_cleanup/user_functions/structure.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/user_functions/structure.py?rev=26385&r1=26384&r2=26385&view=diff ============================================================================== --- branches/frame_order_cleanup/user_functions/structure.py (original) +++ branches/frame_order_cleanup/user_functions/structure.py Thu Oct 23 15:05:19 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",