Author: bugman Date: Tue Jul 8 02:06:29 2008 New Revision: 6824 URL: http://svn.gna.org/viewcvs/relax?rev=6824&view=rev Log: Added the missing return_name and return_warnings args to the Scientific PDB bond_vectors() method. Modified: 1.3/generic_fns/structure/scientific.py Modified: 1.3/generic_fns/structure/scientific.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=6824&r1=6823&r2=6824&view=diff ============================================================================== --- 1.3/generic_fns/structure/scientific.py (original) +++ 1.3/generic_fns/structure/scientific.py Tue Jul 8 02:06:29 2008 @@ -381,21 +381,25 @@ return bonded_num, bonded_name, element, pos_array - def bond_vectors(self, atom_id=None, attached_atom=None, struct_index=None): + def bond_vectors(self, atom_id=None, attached_atom=None, struct_index=None, return_name=False, return_warnings=False): """Find the bond vectors between the atoms of 'attached_atom' and 'atom_id'. - @keyword atom_id: The molecule, residue, and atom identifier string. This must - correspond to a single atom in the system. - @type atom_id: str - @keyword attached_atom: The name of the bonded atom. - @type attached_atom: str - @keyword struct_index: The index of the structure to return the vectors from. If not - supplied and multiple structures/models exist, then vectors from all - structures will be returned. - @type struct_index: None or int - @type struct_index: None or int. - @return: The list of bond vectors for each structure. - @rtype: list of numpy arrays + @keyword atom_id: The molecule, residue, and atom identifier string. This must + correspond to a single atom in the system. + @type atom_id: str + @keyword attached_atom: The name of the bonded atom. + @type attached_atom: str + @keyword struct_index: The index of the structure to return the vectors from. If not + supplied and multiple structures/models exist, then vectors from + all structures will be returned. + @type struct_index: None or int + @keyword return_name: A flag which if True will cause the name of the attached atom to + be returned together with the bond vectors. + @type return_name: bool + @keyword return_warnings: A flag which if True will cause warning messages to be returned. + @type return_warnings: bool + @return: The list of bond vectors for each structure. + @rtype: list of numpy arrays """ # Generate the selection object.