r14324 - /1.3/generic_fns/structure/mass.py -- August 10, 2011 - 22:05

Author: bugman
Date: Wed Aug 10 22:05:58 2011
New Revision: 14324

URL: http://svn.gna.org/viewcvs/relax?rev=14324&view=rev
Log:
Bug fix for the structure.create_diff_tensor_pdb user function for when no 
element info is available.

These atoms where the element is not in the PDB file or cannot be determined 
should have been
skipped.


Modified:
    1.3/generic_fns/structure/mass.py

Modified: 1.3/generic_fns/structure/mass.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/mass.py?rev=14324&r1=14323&r2=14324&view=diff
==============================================================================
--- 1.3/generic_fns/structure/mass.py (original)
+++ 1.3/generic_fns/structure/mass.py Wed Aug 10 22:05:58 2011
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2003-2009 Edward d'Auvergne                                  
 #
+# Copyright (C) 2003-2011 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax.                                    
 #
 #                                                                            
 #
@@ -88,7 +88,8 @@
 
         # No element?
         if element == None:
-            warn(RelaxWarning("Skipping the atom '%s' as the element name 
does not exist in the PDB file." % id))
+            warn(RelaxWarning("Skipping the atom '%s' as the element type 
cannot be determined." % id))
+            continue
 
         # Atomic mass.
         try: