Author: bugman
Date: Wed Jan 14 17:23:18 2009
New Revision: 8442
URL: http://svn.gna.org/viewcvs/relax?rev=8442&view=rev
Log:
Bug fixes for the pack_structs() method.
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=8442&r1=8441&r2=8442&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/api_base.py (original)
+++ branches/multi_structure/generic_fns/structure/api_base.py Wed Jan 14
17:23:18 2009
@@ -298,13 +298,17 @@
if len(orig_mol_num) != len(data_matrix[0]):
raise RelaxError, "Structural data mismatch, %s original molecules
verses %s in the structural data." % (len(orig_mol_num), len(data_matrix[0]))
+ # Model numbers do not change.
+ if not set_model_num:
+ set_model_num = orig_model_num
+
# Test the model mapping.
if len(set_model_num) != len(data_matrix):
raise RelaxError, "Failure of the mapping of new model numbers, %s
new model numbers verses %s models in the structural data." %
(len(set_model_num), len(data_matrix))
- # Test the structure mapping.
- if len(set_mol_num) != len(data_matrix[0]):
- raise RelaxError, "Failure of the mapping of new molecule names,
%s new molecule names verses %s molecules in the structural data." %
(len(set_mol_num), len(data_matrix[0]))
+ # Test the molecule mapping.
+ if len(set_mol_name) != len(data_matrix[0]):
+ raise RelaxError, "Failure of the mapping of new molecule names,
%s new molecule names verses %s molecules in the structural data." %
(len(set_mol_name), len(data_matrix[0]))
# Test that the target models and structures are absent, and get the
already existing model numbers.
current_models = []
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