Author: bugman
Date: Wed Jan 21 18:11:38 2009
New Revision: 8559
URL: http://svn.gna.org/viewcvs/relax?rev=8559&view=rev
Log:
Fixes for the molecule name variable in pack_structs().
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=8559&r1=8558&r2=8559&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/api_base.py (original)
+++ branches/multi_structure/generic_fns/structure/api_base.py Wed Jan 21
18:11:38 2009
@@ -366,8 +366,8 @@
# Loop over the structures.
for j in range(len(self.structural_data[i].mol)):
- 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)
+ if self.structural_data[i].num in set_model_num and
self.structural_data[i].mol[j].mol_name in set_mol_name:
+ raise RelaxError, "The molecule '%s' of model %s already
exists." % (self.structural_data[i].mol[j].mol_name,
self.structural_data[i].num)
# Loop over the models.
for i in range(len(set_model_num)):
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