r8576 - /branches/multi_structure/generic_fns/structure/api_base.py -- January 22, 2009 - 10:44

Author: bugman
Date: Thu Jan 22 10:44:36 2009
New Revision: 8576

URL: http://svn.gna.org/viewcvs/relax?rev=8576&view=rev
Log:
Expanded the structural data validate() method to check molecule names.


Modified:
    branches/multi_structure/generic_fns/structure/api_base.py

Modified: branches/multi_structure/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/api_base.py?rev=8576&r1=8575&r2=8576&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/api_base.py (original)
+++ branches/multi_structure/generic_fns/structure/api_base.py Thu Jan 22 
10:44:36 2009
@@ -712,8 +712,17 @@
 
         # Loop over all other models.
         for i in range(1, len(self.structural_data)):
-            if num_mols != len(self.structural_data[i].mol):
+            # Model alias.
+            model_i = self.structural_data[i]
+
+            # Size check.
+            if num_mols != len(model_i.mol):
                 raise RelaxError, "The structural object is not valid - the 
number of molecules is not the same for all models."
+
+            # Molecule name check.
+            for j in range(len(model_i.mol)):
+                if model_i.mol[j].mol_name != 
self.structural_data[0].mol[j].mol_name:
+                    raise RelaxError, "The molecule name '%s' of model %s 
does not match the corresponding molecule '%s' of model %s." % 
(model_i.mol[j].mol_name, model_i.num, 
self.structural_data[0].mol[j].mol_name, self.structural_data[0].num)