stko.molecule_analysis.SubgroupAnalyser

class stko.molecule_analysis.SubgroupAnalyser[source]

Bases: object

Defines the analyser of subgroup instances.

Warning

This code is only present in the latest versions of stko that require Python 3.11!

Methods

calculate

Calculate the all possible fg values in molecule.
calculate(molecule)[source]

Calculate the all possible fg values in molecule.

Parameters:

molecule (Molecule)

Return type:

dict[str, list[float]]