r18484 - in /trunk: generic_fns/structure/main.py user_functions/structure.py -- February 18, 2013 - 18:08

Author: bugman
Date: Mon Feb 18 18:08:05 2013
New Revision: 18484

URL: http://svn.gna.org/viewcvs/relax?rev=18484&view=rev
Log:
Added the 'model_num' argument to the structure.add_model user function.


Modified:
    trunk/generic_fns/structure/main.py
    trunk/user_functions/structure.py

Modified: trunk/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/main.py?rev=18484&r1=18483&r2=18484&view=diff
==============================================================================
--- trunk/generic_fns/structure/main.py (original)
+++ trunk/generic_fns/structure/main.py Mon Feb 18 18:08:05 2013
@@ -79,7 +79,7 @@
     cdp.structure.add_atom(mol_name=mol_name, atom_name=atom_name, 
res_name=res_name, res_num=res_num, pos=pos, element=element, 
atom_num=atom_num, chain_id=chain_id, segment_id=segment_id, 
pdb_record=pdb_record)
 
 
-def add_model():
+def add_model(model_num=None):
     """Add a new model to the empty structural data object."""
 
     # Test if the current data pipe exists.
@@ -98,7 +98,8 @@
         raise RelaxError("The internal structural object is not empty.")
 
     # Add a model.
-    cdp.structure.structural_data.add_item()
+    cdp.structure.structural_data.add_item(model_num=model_num)
+    print("Created the empty model number %s." % model_num)
 
 
 def connect_atom(index1=None, index2=None):

Modified: trunk/user_functions/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/user_functions/structure.py?rev=18484&r1=18483&r2=18484&view=diff
==============================================================================
--- trunk/user_functions/structure.py (original)
+++ trunk/user_functions/structure.py Mon Feb 18 18:08:05 2013
@@ -131,6 +131,12 @@
 uf = uf_info.add_uf('structure.add_model')
 uf.title = "Add a new model."
 uf.title_short = "Model creation."
+uf.add_keyarg(
+    name = "model_num",
+    py_type = "int",
+    desc_short = "model number",
+    desc = "The number of the new model."
+)
 # Description.
 uf.desc.append(Desc_container())
 uf.desc[-1].add_paragraph("This allows new models to be added to the 
internal structural object.  Note that no structural information is allowed 
to be present")