Author: bugman Date: Thu Jan 15 10:19:11 2009 New Revision: 8453 URL: http://svn.gna.org/viewcvs/relax?rev=8453&view=rev Log: Created the API base method target_mol_name() for generating the list of molecule names. 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=8453&r1=8452&r2=8453&view=diff ============================================================================== --- branches/multi_structure/generic_fns/structure/api_base.py (original) +++ branches/multi_structure/generic_fns/structure/api_base.py Thu Jan 15 10:19:11 2009 @@ -36,6 +36,7 @@ # relax module import. from data.relax_xml import fill_object_contents, xml_to_object from relax_errors import RelaxError, RelaxFileError, RelaxImplementError +from relax_io import file_root from relax_warnings import RelaxWarning @@ -347,6 +348,31 @@ model.mol.add_item(mol_name=set_mol_name[j], mol_cont=data_matrix[i][j]) + def target_mol_name(self, set=None, target=None, index=None, mol_num=None, file=None): + """Add the new molecule name to the target data structure. + + @keyword set: The list of new molecule names. If not supplied, the names will be + generated from the file name. + @type set: None or list of str + @keyword target: The target molecule name data structure to which the new name will be + appended. + @type target: list + @keyword index: The molecule index, matching the set argument. + @type index: int + @keyword mol_num: The molecule number. + @type mol_num: int + @keyword file: The name of the file, excluding all directories. + @type file: str + """ + + # Set the target molecule name. + if set: + target.append(set[index]) + else: + # Set the name to the file name plus the structure number. + target.append(file_root(file) + '_mol' + `mol_num`) + + def to_xml(self, doc, element): """Prototype method for converting the structural object to an XML representation.