r14975 - /1.3/generic_fns/structure/internal.py -- November 07, 2011 - 11:07

Author: bugman
Date: Mon Nov  7 11:07:33 2011
New Revision: 14975

URL: http://svn.gna.org/viewcvs/relax?rev=14975&view=rev
Log:
Fix for the internal structural object add_atom() method for when no models 
or molecules are present.


Modified:
    1.3/generic_fns/structure/internal.py

Modified: 1.3/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=14975&r1=14974&r2=14975&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Mon Nov  7 11:07:33 2011
@@ -599,6 +599,10 @@
         # Test if the current data pipe exists.
         pipes.test()
 
+        # Add a model if not present.
+        if len(self.structural_data) == 0:
+            self.add_model()
+
         # Loop over each model.
         for model in self.structural_data:
             # Specific molecule.
@@ -607,6 +611,7 @@
             # Add the molecule, if it does not exist.
             if mol == None:
                 self.add_molecule(name=mol_name)
+                mol = self.get_molecule(mol_name, model=model.num)
 
             # Add the atom.
             mol.atom_add(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)