httk.atomistic.species_primitive_view

A view presenting any species backend as an OPTIMADE species dict.

Classes

SpeciesPrimitiveView

A view presenting an underlying species backend as an OPTIMADE species dict.

Module Contents

class httk.atomistic.species_primitive_view.SpeciesPrimitiveView(obj: httk.atomistic.species_like.SpeciesLike, **hints: Any)

Bases: httk.atomistic.species_view.SpeciesView, dict

A view presenting an underlying species backend as an OPTIMADE species dict.

This view is a genuine dict carrying the OPTIMADE species fields (optional fields that are None are omitted; list-valued fields are plain lists). Unlike the immutable-subclass views, a dict is mutable, so this view is a detached copy: mutating it does not affect the underlying backend.

unwrap() → Any

Return the most raw representation possible of this view, 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.