httk.atomistic.models.sites.plain

Backend wrapping a raw Nx3 matrix of reduced coordinates.

Classes

PlainSites

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

Module Contents

class httk.atomistic.models.sites.plain.PlainSites(obj, **hints)

Bases: httk.atomistic.models.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.

Parameters:

• obj (Any) – The raw reduced-coordinate representation.

• **hints (Any) – Backend-selection hints.

property reduced_coords: httk.core.FracVector

Return the reduced coordinates in the canonical representation.

Returns:

The exact reduced coordinates.

Return type:

httk.core.FracVector

unwrap()

Return the original coordinate object.

Returns:

The raw coordinate representation.

Return type:

Any