Author: bugman Date: Sun Apr 20 12:25:41 2008 New Revision: 5830 URL: http://svn.gna.org/viewcvs/relax?rev=5830&view=rev Log: Modified the structural API stub method atom_loop() to accept the model_num_flag arg. Modified: 1.3/generic_fns/structure/api_base.py Modified: 1.3/generic_fns/structure/api_base.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/api_base.py?rev=5830&r1=5829&r2=5830&view=diff ============================================================================== --- 1.3/generic_fns/structure/api_base.py (original) +++ 1.3/generic_fns/structure/api_base.py Sun Apr 20 12:25:41 2008 @@ -92,26 +92,29 @@ raise RelaxImplementError - def atom_loop(self, atom_id=None, mol_name_flag=False, res_num_flag=False, res_name_flag=False, atom_num_flag=False, atom_name_flag=False, element_flag=False, pos_flag=False): + def atom_loop(self, atom_id=None, model_num_flag=False, mol_name_flag=False, res_num_flag=False, res_name_flag=False, atom_num_flag=False, atom_name_flag=False, element_flag=False, pos_flag=False): """Prototype generator method stub for looping over all atoms in the structural data object. This method should be designed as a generator (http://www.python.org/dev/peps/pep-0255/). It should loop over all atoms of the system yielding the following atomic information, if the corresponding flag is True, in tuple form: - 1. Molecule name. - 2. Residue number. - 3. Residue name. - 4. Atom number. - 5. Atom name. - 6. The element name (its atomic symbol and optionally the isotope, e.g. 'N', 'Mg', + 1. Model number. + 2. Molecule name. + 3. Residue number. + 4. Residue name. + 5. Atom number. + 6. Atom name. + 7. The element name (its atomic symbol and optionally the isotope, e.g. 'N', 'Mg', '17O', '13C', etc). - 7. The position of the atom in Euclidean space. + 8. The position of the atom in Euclidean space. @keyword atom_id: The molecule, residue, and atom identifier string. Only atoms matching this selection will be yielded. @type atom_id: str + @keyword model_num_flag: A flag which if True will cause the model number to be yielded. + @type model_num_flag: bool @keyword mol_name_flag: A flag which if True will cause the molecule name to be yielded. @type mol_name_flag: bool @keyword res_num_flag: A flag which if True will cause the residue number to be