httk.atomistic.numeric_sites ============================ .. py:module:: httk.atomistic.numeric_sites .. autoapi-nested-parse:: The NumericSites presentation: a Sites object exposed as plain numpy numbers. Classes ------- .. autoapisummary:: httk.atomistic.numeric_sites.NumericSites Module Contents --------------- .. py:class:: NumericSites(sites: httk.atomistic.sites_like.SitesLike) A plain-numpy presentation of a :class:`~httk.atomistic.Sites` object. Where a ``Sites`` holds its reduced coordinates exactly (an Nx3 rational :class:`~httk.core.FracVector`), a ``NumericSites`` mirrors that interface but returns plain ``float64`` numpy arrays, for callers who do not need exact arithmetic and just want numpy arrays. It is len/iter/indexable over its rows, each yielded as a ``(3,)`` numpy array. The presentation is numpy-backed, so constructing a ``NumericSites`` **requires numpy** (the ``httk-atomistic[numpy]`` extra) and raises :class:`ImportError` eagerly when it is unavailable. The exact object is always one hop away via :attr:`exact`. .. py:property:: reduced_coords :type: httk.core.NumericVector The Nx3 reduced site coordinates as a ``float64`` numpy array. .. py:property:: exact :type: httk.atomistic.sites.Sites The exact :class:`~httk.atomistic.Sites` this presentation wraps.