Author: bugman Date: Mon Apr 21 11:59:20 2008 New Revision: 5910 URL: http://svn.gna.org/viewcvs/relax?rev=5910&view=rev Log: Added the bond_vectors() prototype method to the structural API base class. 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=5910&r1=5909&r2=5910&view=diff ============================================================================== --- 1.3/generic_fns/structure/api_base.py (original) +++ 1.3/generic_fns/structure/api_base.py Mon Apr 21 11:59:20 2008 @@ -163,6 +163,26 @@ raise RelaxImplementError + def bond_vectors(self, atom_id=None, attached_atom=None, model=None): + """Prototype method stub for finding the bond vectors between '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 model: The model to return the vectors information from. If not + supplied and multiple models exist, then the returned data will + contain the vectors for all models. + @type model: None or int + @return: The list of bond vectors for each model. + @rtype: list of numpy arrays + """ + + # Raise the error. + raise RelaxImplementError + + def load_structures(self, file_path, model, verbosity=False): """Prototype method stub for loading structures from a file.