r18858 - /trunk/generic_fns/structure/api_base.py -- March 18, 2013 - 15:27

Author: bugman
Date: Mon Mar 18 15:27:56 2013
New Revision: 18858

URL: http://svn.gna.org/viewcvs/relax?rev=18858&view=rev
Log:
Bug fix for the structural data consistency test in the pack_structs() 
structural API method.

The index was not correct causing failures in certain rare cases.


Modified:
    trunk/generic_fns/structure/api_base.py

Modified: trunk/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/api_base.py?rev=18858&r1=18857&r2=18858&view=diff
==============================================================================
--- trunk/generic_fns/structure/api_base.py (original)
+++ trunk/generic_fns/structure/api_base.py Mon Mar 18 15:27:56 2013
@@ -554,7 +554,7 @@
                 print("Adding molecule '%s' to model %s (from the original 
molecule number %s of model %s)" % (set_mol_name[j], set_model_num[i], 
orig_mol_num[j], orig_model_num[i]))
 
                 # Consistency check.
-                index = len(model.mol)
+                index = len(model.mol) - 1
                 if model.num != self.structural_data[0].num and 
self.structural_data[0].mol[index].mol_name != set_mol_name[j]:
                     raise RelaxError("The new molecule name of '%s' in model 
%s does not match the corresponding molecule's name of '%s' in model %s." % 
(set_mol_name[j], set_model_num[i], 
self.structural_data[0].mol[index].mol_name, self.structural_data[0].num))