mailr18866 - /trunk/generic_fns/structure/api_base.py


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Posted by edward on March 19, 2013 - 10:05:
Author: bugman
Date: Tue Mar 19 10:05:43 2013
New Revision: 18866

URL: http://svn.gna.org/viewcvs/relax?rev=18866&view=rev
Log:
Reverted r18858 as this change was incorrect.

The command used was:
svn merge -r18858:r18857 .

.....
  r18858 | bugman | 2013-03-18 15:27:56 +0100 (Mon, 18 Mar 2013) | 5 lines
  Changed paths:
     M /trunk/generic_fns/structure/api_base.py
  
  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=18866&r1=18865&r2=18866&view=diff
==============================================================================
--- trunk/generic_fns/structure/api_base.py (original)
+++ trunk/generic_fns/structure/api_base.py Tue Mar 19 10:05:43 2013
@@ -557,7 +557,7 @@
                     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) - 1
+                index = len(model.mol)
                 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))
 




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