httk.atomistic.sites_class

Backend wrapping a Sites object in the class representation.

Classes

SitesClass

Backend for sites backed by an actual Sites object.

Module Contents

class httk.atomistic.sites_class.SitesClass(obj: httk.atomistic.sites.Sites, **hints: Any)

Bases: httk.atomistic.sites_backend.SitesBackend

Backend for sites backed by an actual Sites object.

Its reduced_coords accessor delegates to the wrapped Sites, and unwrap returns that Sites.

property reduced_coords: httk.core.FracVector

property precision: fractions.Fraction | None

How precisely the coordinates were stated, in fractional units, or None.

Fractional, not a length: reduced coordinates are dimensionless and a Sites has no cell to convert with. cartesian_precision() does the conversion, where the cell is known.

Concrete rather than abstract, so a backend with no source of precision inherits None instead of breaking.

unwrap() → Any

Return the most raw representation possible of this backend, i.e., if it uses a backend with an internal representaion - or if it can (possibly lossly) convert itself into a more raw representation that still would be recognized as a <Something>Like type, that representation will be returned. If this is not possible, the instance itself is returned.