pyxmolpp2.UnitCell class

Classes

class ClosestImage

Result of closest periodic image search

Static methods

def from_rst7_line(arg0: str, /) -> UnitCell

Methods

def closest_image_to(self, ref: XYZ, var: XYZ) -> ClosestImage

Closest periodic image to ref

def scale_by(self, factor: float) -> None

Scale cell by linear factor

def scale_to_volume(self, volume: float) -> None

Scale cell to match volume

def translation_vector(self, i: int, j: int, k: int) -> XYZ

Returns

Special methods

def __getitem__(self, i: int) -> XYZ

Get i-th cell lattice vector

def __init__(self, arg0: UnitCell, /) -> None

def __init__(self, v1: XYZ, v2: XYZ, v3: XYZ) -> None

Construct cell from primitive vectors

def __init__(self, a: float, b: float, c: float, alpha: AngleValue, beta: AngleValue, gamma: AngleValue) -> None

Construct cell from lengths and angles

def __len__(self, /) -> int

Properties

a: float get

Length of

alpha: AngleValue get

Angle between and

b: float get

Length of

beta: AngleValue get

Angle between and

c: float get

Length of

gamma: AngleValue get

Angle between and

volume: float get

Volume

Method documentation