Shape

class sisl.shape.Shape(center)

Baseclass for all shapes. Logical operations are implemented on this class.

This class must be sub classed.

Also all the required methods are predefined although they issue an error if they are not implemented in the sub-classed class.

There are a few routines that are necessary when implementing an inherited class:

center

return the geometric center of the shape.

within

Returns a boolean array which defines whether a coordinate is within or outside the shape.

within_index

Equivalent to within, however only the indices of those within are returned.

copy

Create a new identical shape.

The minimal requirement a shape can have are the above attributes.

Subclassed shapes may have additional methods by which they are defined.

Any Shape may be used to construct other shapes by applying set operations. Currently implemented binary operators are:

__or__/__add__ : set union, either | or + operator (not or)

__and__ : set intersection, & operator (not and)

__sub__ : set complement, - operator

__xor__ : set disjunctive union, ^ operator

Parameters

center(3,)

the center of the shape

Attributes

center

The geometric center of the shape

Methods

__init__(self, center)	Initialize self.
scale(self, scale)	Return a new Shape with a scaled size
toCuboid(self)	Create a cuboid which is surely encompassing the full shape
toEllipsoid(self)	Create an ellipsoid which is surely encompassing the full shape
toSphere(self)	Create a sphere which is surely encompassing the full shape
within(self, other)	Return True if other is fully within self
within_index(self, other)	Return indices of the elements of other that are within the shape

property center

The geometric center of the shape

scale(self, scale)

Return a new Shape with a scaled size

toCuboid(self)

Create a cuboid which is surely encompassing the full shape

toEllipsoid(self)

Create an ellipsoid which is surely encompassing the full shape

toSphere(self)

Create a sphere which is surely encompassing the full 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 elements of other that are within the shape