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