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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