Author: bugman Date: Thu Feb 26 15:21:28 2009 New Revision: 8878 URL: http://svn.gna.org/viewcvs/relax?rev=8878&view=rev Log: Created the get_molecule_names() function. This new function returns a list of all the molecule names. bmrb_write_entity() now calls this. Modified: branches/bmrb/generic_fns/mol_res_spin.py Modified: branches/bmrb/generic_fns/mol_res_spin.py URL: http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/mol_res_spin.py?rev=8878&r1=8877&r2=8878&view=diff ============================================================================== --- branches/bmrb/generic_fns/mol_res_spin.py (original) +++ branches/bmrb/generic_fns/mol_res_spin.py Thu Feb 26 15:21:28 2009 @@ -501,8 +501,11 @@ if count_molecules() > 1: raise RelaxError, "Support for multiple molecules is not yet supported." + # Get the molecule names. + mol_names = get_molecule_names() + # Add the entity. - star.entity.add() + star.entity.add(mol_names[0]) def copy_molecule(pipe_from=None, mol_from=None, pipe_to=None, mol_to=None): @@ -1297,11 +1300,31 @@ return id +def get_molecule_names(selection=None): + """Return a list of the molecule names. + + @param selection: The molecule selection identifier. + @type selection: str + @return: The molecule names. + @rtype: list of str + """ + + # Loop over the molecules, append the name of each within the selection. + mol_names = [] + for mol in molecule_loop(selection): + mol_names.append(mol.name) + + # Return the names. + return mol_names + + def last_residue_num(selection=None): """Determine the last residue number. - @return: The number of the last residue. - @rtype: int + @param selection: The molecule selection identifier. + @type selection: str + @return: The number of the last residue. + @rtype: int """ # Get the molecule.