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
andFalse
respectively.For tetrahedral chirality:
True
represents clockwiseFalse
represents anticlockwise
For E/Z double bond stereochemistry:
True
represents synFalse
represents anti
Parameters: parity – The atom or bond parity.