Author: bugman
Date: Thu Oct 23 15:05:15 2014
New Revision: 26384
URL: http://svn.gna.org/viewcvs/relax?rev=26384&view=rev
Log:
Merged revisions 26379 via svnmerge from
svn+ssh://[email protected]/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/space_mapping_refactor/ (props changed)
branches/space_mapping_refactor/user_functions/structure.py
Propchange: branches/space_mapping_refactor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Oct 23 15:05:15 2014
@@ -1 +1 @@
-/trunk:1-26370,26373-26374
+/trunk:1-26370,26373-26374,26379
Modified: branches/space_mapping_refactor/user_functions/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/user_functions/structure.py?rev=26384&r1=26383&r2=26384&view=diff
==============================================================================
--- branches/space_mapping_refactor/user_functions/structure.py (original)
+++ branches/space_mapping_refactor/user_functions/structure.py Thu Oct 23
15:05:15 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",
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