iphasimulator.stereochemistry
=============================

.. py:module:: iphasimulator.stereochemistry

.. autoapi-nested-parse::

   Stereochemistry validation helpers.



Functions
---------

.. autoapisummary::

   iphasimulator.stereochemistry.validate_stereochemistry_option
   iphasimulator.stereochemistry.validate_chiral_centres
   iphasimulator.stereochemistry.validate_r_chiral_centres


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

.. py:function:: validate_stereochemistry_option(stereochemistry: str) -> str

   Validate and normalize the requested stereochemistry.


.. py:function:: validate_chiral_centres(mol: rdkit.Chem.Mol, expected_count: int, stereochemistry: str) -> None

   Ensure every repeat unit has one assigned chiral centre.


.. py:function:: validate_r_chiral_centres(mol: rdkit.Chem.Mol, expected_count: int) -> None

   Ensure every repeat unit has one assigned R chiral centre.