Ellipsoid

class sisl.shape.Ellipsoid(v, center=None)

3D Ellipsoid shape

Parameters

vfloat or (3,) or (3, 3)

radius/vectors defining the ellipsoid. For 3 values it corresponds to a Cartesian oriented ellipsoid. If the vectors are non-orthogonal they will be orthogonalized. I.e. the first vector is considered a principal axis, then the second vector will be orthogonalized onto the first, and this is the second principal axis. And so on.

center(3,), optional

the center of the ellipsoid. Defaults to the origo.

Examples

>>> shape = Ellipsoid([2, 2.2, 2])
>>> shape.within([0, 2, 0])
True

Attributes

center	The geometric center of the shape
radius	Return the radius of the Ellipsoid

Methods

__init__(self, v[, center])	Initialize self.
copy(self)
expand(self, radius)	Expand ellipsoid by a constant value along each radial vector
scale(self, scale)	Return a new shape with a larger corresponding to scale
set_center(self, center)	Change the center of the object
toCuboid(self)	Return a cuboid with side lengths equal to the diameter of each ellipsoid vectors
toEllipsoid(self)	Return an ellipsoid that encompass this shape (a copy)
toSphere(self)	Return a sphere with a radius equal to the largest radial vector
volume(self)	Return the volume of the shape
within(self, other)	Return True if other is fully within self
within_index(self, other)	Return indices of the points that are within the shape

property center

The geometric center of the shape

copy(self)

expand(self, radius)

Expand ellipsoid by a constant value along each radial vector

Parameters

radiusfloat or (3,)

the extension in Ang per ellipsoid radial vector

property radius

Return the radius of the Ellipsoid

scale(self, scale)

Return a new shape with a larger corresponding to scale

Parameters

scalefloat or (3,)

the scale parameter for each of the vectors defining the Ellipsoid

set_center(self, center)

Change the center of the object

toCuboid(self)

Return a cuboid with side lengths equal to the diameter of each ellipsoid vectors

toEllipsoid(self)

Return an ellipsoid that encompass this shape (a copy)

toSphere(self)

Return a sphere with a radius equal to the largest radial vector

volume(self)

Return the volume of the shape

within(self, other)

Return True if other is fully within self

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

Parameters

otherarray_like

the array/object that is checked for containment

within_index(self, other)

Return indices of the points that are within the shape