sisl.shape.Cube

class sisl.shape.Cube(side, center=None)

Bases: sisl.shape.Cuboid

3D Cube with equal sides

Equivalent to Cuboid([r, r, r]).

Parameters

side (float) – side-length of the cube, or vector

Methods

copy()
expand(length)	Expand the cuboid by a constant value along side vectors
scale(scale)	Scale the cuboid box size (center is retained)
set_center(center)	Re-setting the center can sometimes be necessary
set_origo(origo)	Re-setting the origo can sometimes be necessary
toCuboid()	Return a copy of itself
toEllipsoid()	Return an ellipsoid that encompass this cuboid
toSphere()	Return a sphere that encompass this cuboid
volume()	Return volume of Cuboid
within(other, *args, **kwargs)	Return True if other is fully within self
within_index(other[, tol])	Return indices of the other object which are contained in the shape
center	The geometric center of the shape
edge_length	The lengths of each of the vector that defines the cuboid
origo	Return the origin of the Cuboid (lower-left corner)

__init__(side, center=None)

property center

The geometric center of the shape

copy()

property edge_length

The lengths of each of the vector that defines the cuboid

expand(length)

Expand the cuboid by a constant value along side vectors

Parameters

length (float or (3,)) – the extension in Ang per cuboid vector.

property origo

Return the origin of the Cuboid (lower-left corner)

scale(scale)

Scale the cuboid box size (center is retained)

Parameters

scale (float or (3,)) – the scale parameter for each of the vectors defining the Cuboid

set_center(center)

Re-setting the center can sometimes be necessary

set_origo(origo)

Re-setting the origo can sometimes be necessary

toCuboid()

Return a copy of itself

toEllipsoid()

Return an ellipsoid that encompass this cuboid

toSphere()

Return a sphere that encompass this cuboid

volume()

Return volume of Cuboid

within(other, *args, **kwargs)

Return True if other is fully within self

If other is an array, an array will be returned for each of these.

Parameters

• other (array_like) – the array/object that is checked for containment

• *args – passed directly to within_index

• **kwargs – passed directly to within_index

within_index(other, tol=1e-08)

Return indices of the other object which are contained in the shape

Parameters

• other (array_like) – the object that is checked for containment

• tol (float, optional) – absolute tolerance for boundaries