r8888 - /branches/bmrb/generic_fns/mol_res_spin.py -- February 27, 2009 - 17:20

Author: bugman
Date: Fri Feb 27 17:20:49 2009
New Revision: 8888

URL: http://svn.gna.org/viewcvs/relax?rev=8888&view=rev
Log:
The molecule type is now determined.


Modified:
    branches/bmrb/generic_fns/mol_res_spin.py

Modified: branches/bmrb/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/mol_res_spin.py?rev=8888&r1=8887&r2=8888&view=diff
==============================================================================
--- branches/bmrb/generic_fns/mol_res_spin.py (original)
+++ branches/bmrb/generic_fns/mol_res_spin.py Fri Feb 27 17:20:49 2009
@@ -499,7 +499,7 @@
 
     # Can't handle multiple molecules yet.
     if count_molecules() > 1:
-        raise RelaxError, "Support for multiple molecules is not yet 
supported."
+        raise RelaxError, "Multiple molecules are not yet supported."
 
     # Get the molecule names.
     mol_names = get_molecule_names()
@@ -514,8 +514,14 @@
         res_names = get_residue_names("#" + mol_names[i])
         res_nums = get_residue_nums("#" + mol_names[i])
 
+        # Test for a polymer.
+        if not len(res_nums):
+            raise RelaxError, "Non-polymer molecules are not yet supported."
+        else:
+            mol_type = 'polymer'
+
         # Add the entity.
-        star.entity.add(mol_name=mol_names[i], res_nums=res_nums, 
res_names=res_names)
+        star.entity.add(mol_name=mol_names[i], mol_type=mol_type, 
res_nums=res_nums, res_names=res_names)
 
 
 def copy_molecule(pipe_from=None, mol_from=None, pipe_to=None, mol_to=None):