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, ...]
   :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)

   Return the atomic number of an element symbol.

   The pseudo-symbols ``"X"`` and ``"vacancy"`` are not elements here.

   :param symbol: The IUPAC element symbol.
   :return: The element's atomic number.
   :raises ValueError: If ``symbol`` is not one of the 118 element symbols.


.. py:function:: symbol_of(z)

   Return the element symbol for an atomic number.

   :param z: The atomic number in the range 1 through 118.
   :return: The corresponding IUPAC element symbol.
   :raises ValueError: If ``z`` is outside the range 1 through 118.