httk.atomistic.structure_numeric_view

A view presenting any structure backend as a NumericStructure (the plain-numpy presentation).

Classes

StructureNumericView

A view presenting an underlying structure backend as a NumericStructure.

Module Contents

class httk.atomistic.structure_numeric_view.StructureNumericView(obj: httk.atomistic.structure_like.StructureLike, **hints: Any)

Bases: httk.atomistic.structure_view.StructureView, httk.atomistic.numeric_structure.NumericStructure

A view presenting an underlying structure backend as a NumericStructure.

This view is a genuine NumericStructure, so it can be passed anywhere one is accepted. Its exact Structure is built eagerly from the backend’s quartet on construction. Like a NumericStructure it requires numpy (raising ImportError otherwise).

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.