oxmol.bond_order module

Representation of bond order.

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.bond_order.BondOrder

Bases: oxmol.oxmol.PyBondOrder

A bond order. This is a Python class representing a Rust enum. The bond orders represented in chemcore::molecule are Zero, Single, Double and Triple.

Parameters:order – an int in range(0, 4) representing the bond order as an int.

as_int() → int

Get the bond order as an integer in range(0, 4).