mailr14970 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on November 03, 2011 - 17:50:
Author: bugman
Date: Thu Nov  3 17:50:39 2011
New Revision: 14970

URL: http://svn.gna.org/viewcvs/relax?rev=14970&view=rev
Log:
More use of the structural API in the create_diff_tensor_pdb() function.


Modified:
    1.3/generic_fns/structure/geometric.py

Modified: 1.3/generic_fns/structure/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/geometric.py?rev=14970&r1=14969&r2=14970&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Thu Nov  3 17:50:39 2011
@@ -431,7 +431,7 @@
     structure.add_molecule(name='diff_tensor')
 
     # Alias the single molecule from the single model.
-    mol = structure.structural_data[0].mol[0]
+    mol = structure.get_molecule('diff_tensor')
 
     # Loop over the pipes.
     for pipe_index in xrange(len(pipe_list)):




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