r22042 - /trunk/lib/structure/represent/rotor.py -- January 23, 2014 - 15:35

Author: bugman
Date: Thu Jan 23 15:35:52 2014
New Revision: 22042

URL: http://svn.gna.org/viewcvs/relax?rev=22042&view=rev
Log:
The lib.structure.represent.rotor.rotor_pdb() function can now handle 
multiple rotors.

Previously this function would fail if called twice with the same structural 
object.


Modified:
    trunk/lib/structure/represent/rotor.py

Modified: trunk/lib/structure/represent/rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/represent/rotor.py?rev=22042&r1=22041&r2=22042&view=diff
==============================================================================
--- trunk/lib/structure/represent/rotor.py (original)
+++ trunk/lib/structure/represent/rotor.py Thu Jan 23 15:35:52 2014
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2013 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2014 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -65,8 +65,13 @@
     # Normalise.
     axis_norm = axis / norm(axis)
 
-    # Add a structure.
-    structure.add_molecule(name='rotor')
+    # Add a structure (handling up to 3 rotors).
+    if structure.has_molecule(name='rotor') and 
structure.has_molecule(name='rotor2'):
+        structure.add_molecule(name='rotor3')
+    elif structure.has_molecule(name='rotor'):
+        structure.add_molecule(name='rotor2')
+    else:
+        structure.add_molecule(name='rotor')
 
     # Loop over the models.
     for model in structure.model_loop(model):