httk.atomistic.sites_primitive

Backend wrapping a raw Nx3 matrix of reduced coordinates.

Classes

SitesPrimitive

Backend for sites backed by a raw Nx3 list or tuple of numbers (or any Nx3 vector-like).

Module Contents

class httk.atomistic.sites_primitive.SitesPrimitive(obj: Any, **hints: Any)

Bases: httk.atomistic.sites_backend.SitesBackend

Backend for sites backed by a raw Nx3 list or tuple of numbers (or any Nx3 vector-like).

The native representation is preserved verbatim (one site per row); the exact rational FracVector reduced_coords are built lazily and cached, and unwrap returns the original raw object.

property reduced_coords: httk.core.FracVector

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.