def run(args): if args and args.filename != "": project = Project.load_object(args.filename) default_atoms = [] AtomType.get_from_csv( settings.DATA_REG.get_file_path("ATOM_SCAT_FACTORS"), default_atoms.append ) for atom in project.atom_types.iter_objects(): default_atom = None for def_atom in default_atoms: if atom.name == def_atom.name: default_atom = def_atom assert default_atom is not None atom.charge = default_atom.charge atom.debye = default_atom.debye project.save_object(args.filename + ".def") del project print "Finished!"
def load_atom_types_from_csv(self, filename): """ Loads all :class:`~pyxrd.atoms.models.AtomType` objects from the CSV file specified by *filename*. """ for atom_type in AtomType.get_from_csv(filename, parent=self): self.atom_types.append(atom_type)
def load_default_data(self): for atom_type in AtomType.get_from_csv( settings.DATA_REG.get_file_path("ATOM_SCAT_FACTORS")): self.atom_types.append(atom_type)
def load_default_data(self): for atom_type in AtomType.get_from_csv(settings.DATA_REG.get_file_path("ATOM_SCAT_FACTORS")): self.atom_types.append(atom_type)