gemmi.SpaceGroup class

Methods

def centred_to_primitive(self, /) -> Op
def centring_type(self, /) -> str
def change_of_hand_op(self, /) -> Op
def crystal_system(self, /) -> CrystalSystem
def crystal_system_str(self, /) -> str
Returns lower-case name of the crystal system.
def is_centrosymmetric(self, /) -> bool
def is_enantiomorphic(self, /) -> bool
def is_reference_setting(self, /) -> bool
def is_sohncke(self, /) -> bool
def is_symmorphic(self, /) -> bool
def laue_str(self, /) -> str
Returns name of the Laue class (for centrosymmetric groups the same as point_group_hm).
def operations(self, /) -> GroupOps
Group of operations
def point_group_hm(self, /) -> str
Returns H-M name of the point group.
def short_name(self, /) -> str
H-M name w/o spaces and with 1's removed in '1 ... 1'.
def switch_to_asu(self, miller_array: numpy.ndarray[numpy.int32]) -> None
def xhm(self, /) -> str
extended Hermann-Mauguin name

Special methods

def __eq__(self, arg0: SpaceGroup, /) -> bool
def __getstate__(self, /) -> str
def __init__(self, ccp4: int) -> None
def __init__(self, hm: str) -> None
def __repr__(self, /) -> str
def __setstate__(self, arg0: str, /) -> None

Properties

basisop: Op get
ccp4: int get
ccp4 number
ext: str get
Extension (1, 2, H, R or none)
hall: str get
Hall symbol
hm: str get
Hermann-Mauguin name
number: int get
number 1-230.
qualifier: str get
e.g. 'cab'