r2725 - /branches/tensor_pdb/generic_fns/pdb.py -- November 02, 2006 - 07:21

Author: bugman
Date: Thu Nov  2 07:20:34 2006
New Revision: 2725

URL: http://svn.gna.org/viewcvs/relax?rev=2725&view=rev
Log:
Fixed a bug in the 'pdb.create_tensor_pdb()' user function when no diffusion 
tensor has been loaded.

This was reported by Chris MacRaild at 
https://mail.gna.org/public/relax-devel/2006-10/msg00204.html
(Message-id: <1162304784.3525.133.camel@mrspell>).

The solution was simply to add a test for the presence of the diffusion 
tensor.


Modified:
    branches/tensor_pdb/generic_fns/pdb.py

Modified: branches/tensor_pdb/generic_fns/pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/tensor_pdb/generic_fns/pdb.py?rev=2725&r1=2724&r2=2725&view=diff
==============================================================================
--- branches/tensor_pdb/generic_fns/pdb.py (original)
+++ branches/tensor_pdb/generic_fns/pdb.py Thu Nov  2 07:20:34 2006
@@ -217,7 +217,11 @@
         if not run in self.relax.data.run_names:
             raise RelaxNoRunError, run
 
-        # Test if PDB data corresponding to the run already exists.
+        # Test if the diffusion tensor data is loaded.
+        if not self.relax.data.diff.has_key(run):
+            raise RelaxNoTensorError, run
+
+        # Test if the PDB file of the macromolecule has been loaded.
         if not self.relax.data.pdb.has_key(self.run):
             raise RelaxNoPdbError, self.run