oxmol.parity module

Representation of stereochemistry.

This is a thin wrapper around the PyO3 base class: it calls the base class’ __new__ constructor and return an instance of the base class.

At present, it doesn’t seem to be possible to truly subclass PyO3 classes from Python, so this is all we are able to do on the Python end.

class oxmol.parity.Parity

Bases: oxmol.oxmol.PyParity

A stereochemical atom or bond parity, represented using a Rust enum. This parity is laid out in the minimal API description.

The enum refers to ‘Positive’ or ‘Negative’, which are represented using Python’s True and False respectively.

For tetrahedral chirality: - True represents clockwise - False represents anticlockwise

For E/Z double bond stereochemistry: - True represents syn - False represents anti

Parameters:parity – The atom or bond parity.