pymatgen.analysis.chemenv.connectivity.connectivity_finder module

Module implementing connectivity finding.

class ConnectivityFinder(multiple_environments_choice=None)[source]

Bases: object

Main class used to find the structure connectivity of a structure

Constructor for the ConnectivityFinder.

Parameters

multiple_environments_choice – defines the procedure to apply when

the environment of a given site is described as a “mix” of more than one coordination environments.

get_structure_connectivity(light_structure_environments)[source]

Get the structure connectivity from the coordination environments provided as an input.

Parameters

light_structure_environments – LightStructureEnvironments with the

relevant coordination environments in the structure :return: a StructureConnectivity object describing the connectivity of the environments in the structure

setup_parameters(multiple_environments_choice)[source]

Setup of the parameters for the connectivity finder.