PourPy.reactant
===============

.. py:module:: PourPy.reactant

.. autoapi-nested-parse::

   Created on Sun May 14 10:57:37 2023

   @author: anjakorber



Classes
-------

.. autoapisummary::

   PourPy.reactant.Reactant


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

.. py:class:: Reactant(formula, state, dGf, dHf, Sm, elements)

   Reactant class that defines an ion, compound or electron including all required thermodynamic and molecular parameters.
       


   .. py:attribute:: formula


   .. py:attribute:: state


   .. py:attribute:: charge
      :value: 0



   .. py:attribute:: atoms
      :value: 0



   .. py:attribute:: MW
      :value: 0.0



   .. py:attribute:: dGf


   .. py:attribute:: dHf


   .. py:attribute:: Sm


   .. py:method:: __str__()


   .. py:method:: initialize()

      Initialize additional properties of the Reactant.

      :return: None
      :rtype: None



   .. py:method:: _get_formula(formula)

      Validate and returns user-input chemical formula of the reactant.

      :param formula: The chemical formula to validate.
      :return: Validated chemical formula.



   .. py:method:: _get_state(state)

      Validates and returns the user-input physical state of the reactant.

      :param state: The physical state to validate.
      :return: Validated physical state.



   .. py:method:: _get_charge()

      Validates and returns the user-input charge of the reactant.

      :return: The charge of the reactant, 0 if not present.



   .. py:method:: _get_atoms(elements)

      Retrieves a dictionary of atoms in the reactant.

      :return: A dictionary containing atom symbols as keys and their counts as values.



   .. py:method:: _get_molecular_weight(elements)

      Calculates the molecular weight of the reactant.

      :return: The molecular weight of the reactant in grams per mole.



   .. py:method:: _get_super_string(x)

      Converts numeric characters in the formula of the reactant to Unicode superscript characters.

      :param x: The input string to convert.
      :return: The input string with numeric characters replaced by super-script characters.



   .. py:method:: _get_sub_string(x)

      Converts numeric characters in the formula of the reactant to Unicode subscript characters.

      :param x: The input string to convert.
      :return: The input string with numeric characters replaced by sub-script characters.



   .. py:method:: _get_reactant_string()

      Creates a formatted string representing the reactant formula.

      :return: Formatted string representation of the reactant, including subscripts for number of atoms and superscripts for charge.