stko.molecule_analysis.Subgroup

class stko.molecule_analysis.Subgroup[source]

Bases: object

Defines subgroup to search for and its measure of interest.

Warning

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

Methods

measure

Measure the geometrical property of interest for the subgroup.
measure(molecule)[source]

Measure the geometrical property of interest for the subgroup.

Defined in _calculate_measure and _find_subgroup private methods.

Parameters:

molecule (Molecule) – The molecule to analyse.

Returns:

List of measures.

Return type:

list[float]