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)
