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 = []