mailr8439 - /branches/multi_structure/generic_fns/structure/api_base.py


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Posted by edward on January 14, 2009 - 14:48:
Author: bugman
Date: Wed Jan 14 14:48:19 2009
New Revision: 8439

URL: http://svn.gna.org/viewcvs/relax?rev=8439&view=rev
Log:
Added a print out for the loading of structural data.


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=8439&r1=8438&r2=8439&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/api_base.py (original)
+++ branches/multi_structure/generic_fns/structure/api_base.py Wed Jan 14 
14:48:19 2009
@@ -315,7 +315,7 @@
             # Loop over the structures.
             for j in range(len(self.structural_data[i])):
                 if self.structural_data[i].num in set_model_num and 
self.structural_data[i].mol[j].name in set_mol_name:
-                    raise RelaxError, "The molecule %s of model %s already 
exists." % (self.structural_data[i].mol[j].name, self.structural_data[i].num)
+                    raise RelaxError, "The molecule '%s' of model %s already 
exists." % (self.structural_data[i].mol[j].name, self.structural_data[i].num)
 
         # Loop over the models.
         for i in range(len(set_model_num)):
@@ -334,8 +334,12 @@
             else:
                 model = 
self.structural_data[current_models.index(set_model_num[i])]
 
-            # Pack the structures.
+            # Loop over the molecules.
             for j in range(len(set_mol_name)):
+                # Print out.
+                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])
+
+                # Pack the structures.
                 model.add_item(mol_name=set_mol_name[j], 
mol_cont=data_matrix[i][j])
 
 




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