r8731 - /1.3/generic_fns/structure/scientific.py -- February 04, 2009 - 17:22

Author: bugman
Date: Wed Feb  4 17:22:38 2009
New Revision: 8731

URL: http://svn.gna.org/viewcvs/relax?rev=8731&view=rev
Log:
Added error checking to load_pdb() for when the number of molecules exceeds 
the set_mol_name list.


Modified:
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=8731&r1=8730&r2=8731&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Wed Feb  4 17:22:38 2009
@@ -614,6 +614,10 @@
                     for mol in model.molecules[key]:
                         mol_conts[-1][-1].data.append(mol)
 
+                    # Check.
+                    if set_mol_name and mol_index >= len(set_mol_name):
+                        raise RelaxError, "The %s molecules read exceeds the 
number of molecule names supplied in %s." % (mol_index+1, set_mol_name)
+
                     # Update structures.
                     self.target_mol_name(set=set_mol_name, 
target=new_mol_name, index=mol_index, mol_num=mol_index+1+mol_offset, 
file=file)
                     mol_index = mol_index + 1