httk.atomistic.entries
======================

.. py:module:: httk.atomistic.entries


Submodules
----------

.. toctree::
   :maxdepth: 1

   /reference/autoapi/httk/atomistic/entries/charge/index
   /reference/autoapi/httk/atomistic/entries/definitions/index
   /reference/autoapi/httk/atomistic/entries/moments/index
   /reference/autoapi/httk/atomistic/entries/precision/index
   /reference/autoapi/httk/atomistic/entries/prototypes/index
   /reference/autoapi/httk/atomistic/entries/structures/index
   /reference/autoapi/httk/atomistic/entries/symmetry/index
   /reference/autoapi/httk/atomistic/entries/trajectories/index


Attributes
----------

.. autoapisummary::

   httk.atomistic.entries.PRECISION_PROPERTY_KEYS


Functions
---------

.. autoapisummary::

   httk.atomistic.entries.load_httk_definitions
   httk.atomistic.entries.precision_definitions
   httk.atomistic.entries.precision_properties


Package Contents
----------------

.. py:function:: load_httk_definitions(names)

   Load vendored property definitions by served name.

   Each document is loaded verbatim, ``$id`` included. Note that a definition's own
   ``x-optimade-definition.name`` stays the unprefixed name it was published under, which
   will differ from the prefixed name httk serves it as — that is correct, and rewriting a
   published document to match a local naming choice would defeat the point of pointing at
   it.

   :param names: A map from served property name to vendored definition stem.
   :return: The loaded definitions keyed by served property name.


.. py:data:: PRECISION_PROPERTY_KEYS
   :type:  dict[str, str]

.. py:function:: precision_definitions()

   Load the vendored coordinate and basis precision definitions.

   :return: Definitions keyed by their served names.


.. py:function:: precision_properties(structure)

   Project the stated coordinate and basis precision.

   Both are ``null`` for a structure that does not say — one built by hand, or read from a
   source that does not write its numbers to a definite number of digits. That is the
   honest answer, and it is distinguishable from a claim of exactness.

   Rendered as floats, since that is what a JSON consumer will use them as; they are held
   exactly on the structure itself.

   :param structure: The structure to project, or ``None`` for an empty entry.
   :return: The ``_httk_coordinate_precision`` and ``_httk_basis_precision`` values.