httk.atomistic.elements
=======================

.. py:module:: httk.atomistic.elements

.. autoapi-nested-parse::

   Minimal periodic table for httk-atomistic.

   Provides the IUPAC element symbols in atomic-number order and helpers to convert
   between a chemical symbol and its atomic number. The pseudo-symbols ``"X"``
   (unknown element) and ``"vacancy"`` are deliberately not elements here; they are
   handled at the ``Species`` level.



Attributes
----------

.. autoapisummary::

   httk.atomistic.elements.SYMBOLS


Functions
---------

.. autoapisummary::

   httk.atomistic.elements.atomic_number
   httk.atomistic.elements.symbol_of


Module Contents
---------------

.. py:data:: SYMBOLS
   :type:  tuple[str, Ellipsis]
   :value: ('H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl',...


   The 118 IUPAC element symbols in atomic-number order (``SYMBOLS[0]`` is hydrogen).

.. py:function:: atomic_number(symbol: str) -> int

   Return the atomic number (1-118) of an element symbol.

   Raises ValueError for anything that is not one of the 118 element symbols
   (in particular for the ``"X"`` and ``"vacancy"`` pseudo-symbols).


.. py:function:: symbol_of(z: int) -> str

   Return the element symbol for the atomic number z (1-118).

   Raises ValueError for atomic numbers outside the 1-118 range.