r18812 - /trunk/auto_analyses/dauvergne_protocol.py -- March 13, 2013 - 15:21

Author: bugman
Date: Wed Mar 13 15:21:07 2013
New Revision: 18812

URL: http://svn.gna.org/viewcvs/relax?rev=18812&view=rev
Log:
Fix for bug #20613 (https://gna.org/bugs/?20613), the failure of the 
diffusion tensor PDB creation.

This was reported by Angelo Miguel Figueiredo <am dott figueiredo att fct dot 
unl dot pt>.

The problem was that the diffusion tensor PDB representation 
structure.create_diff_tensor_pdb user
function was being called even when the local tm global model was selected.  
This naturally failed
as there is no global diffusion tensor.  Now this user function is avoided 
for the local tm global
model.


Modified:
    trunk/auto_analyses/dauvergne_protocol.py

Modified: trunk/auto_analyses/dauvergne_protocol.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/dauvergne_protocol.py?rev=18812&r1=18811&r2=18812&view=diff
==============================================================================
--- trunk/auto_analyses/dauvergne_protocol.py (original)
+++ trunk/auto_analyses/dauvergne_protocol.py Wed Mar 13 15:21:07 2013
@@ -937,8 +937,8 @@
         self.interpreter.molmol.macro_write(data_type='time_slow', dir=dir, 
force=True)
         self.interpreter.molmol.macro_write(data_type='rex',       dir=dir, 
force=True)
 
-        # Create a diffusion tensor representation of the tensor, if a PDB 
file is present.
-        if hasattr(cdp, 'structure'):
+        # Create a diffusion tensor representation of the tensor, if a PDB 
file is present and the local tm global model has not been selected.
+        if hasattr(cdp, 'structure') and hasattr(cdp, 'diff_tensor'):
             dir = self.write_results_dir + 'final'
             
self.interpreter.structure.create_diff_tensor_pdb(file="tensor.pdb", dir=dir, 
force=True)