gemmi.GroupOps class

Static methods

def epsilon_factor(…)
def epsilon_factor_without_centering(…)
def find_grid_factors(…)
Minimal multiplicity for real-space grid (e.g. 1,1,6 for P61).
def is_reflection_centric(…)
def is_systematically_absent(…)

Methods

def add_inversion(self, /) -> bool
def add_missing_elements(self, /) -> None
def centric_flag_array(self, arg0: numpy.ndarray[numpy.int32], /) -> numpy.ndarray[bool]
def change_basis_backward(self, cob: Op) -> None
Applies inverse of the change-of-basis operator (in place).
def change_basis_forward(self, cob: Op) -> None
Applies the change-of-basis operator (in place).
def derive_symmorphic(self, /) -> GroupOps
def epsilon_factor_array(self, arg0: numpy.ndarray[numpy.int32], /) -> numpy.ndarray[numpy.int32]
def epsilon_factor_without_centering_array(self, arg0: numpy.ndarray[numpy.int32], /) -> numpy.ndarray[numpy.int32]
def find_centering(self, /) -> str
def has_same_centring(self, arg0: GroupOps, /) -> bool
def has_same_rotations(self, arg0: GroupOps, /) -> bool
def is_centrosymmetric(self, /) -> bool
def systematic_absences(self, arg0: numpy.ndarray[numpy.int32], /) -> numpy.ndarray[bool]

Special methods

def __deepcopy__(self, memo: dict) -> GroupOps
def __eq__(self, arg0: GroupOps, /) -> bool
def __init__(self, arg0: typing.List[Op], /) -> None
def __iter__(self, /) -> typing.Iterator
def __len__(self, /) -> int

Properties

cen_ops get set
Centering vectors.
sym_ops: typing.List[Op] get set
Symmetry operations (to be combined with centering vectors).