pymatgen.analysis.chemenv.connectivity package

Subpackages

Submodules

• pymatgen.analysis.chemenv.connectivity.connected_components module
  • ConnectedComponent
    • ConnectedComponent.as_dict()
    • ConnectedComponent.compute_periodicity()
    • ConnectedComponent.compute_periodicity_all_simple_paths_algorithm()
    • ConnectedComponent.compute_periodicity_cycle_basis()
    • ConnectedComponent.coordination_sequence()
    • ConnectedComponent.description()
    • ConnectedComponent.elastic_centered_graph()
    • ConnectedComponent.from_dict()
    • ConnectedComponent.from_graph()
    • ConnectedComponent.graph
    • ConnectedComponent.is_0d
    • ConnectedComponent.is_1d
    • ConnectedComponent.is_2d
    • ConnectedComponent.is_3d
    • ConnectedComponent.is_periodic
    • ConnectedComponent.make_supergraph()
    • ConnectedComponent.periodicity
    • ConnectedComponent.periodicity_vectors
    • ConnectedComponent.show_graph()
  • draw_network()
  • make_supergraph()
• pymatgen.analysis.chemenv.connectivity.connectivity_finder module
  • ConnectivityFinder
    • ConnectivityFinder.get_structure_connectivity()
    • ConnectivityFinder.setup_parameters()
• pymatgen.analysis.chemenv.connectivity.environment_nodes module
  • AbstractEnvironmentNode
    • AbstractEnvironmentNode.ATOM
    • AbstractEnvironmentNode.CE_NNBCES_NBCES_LIGANDS
    • AbstractEnvironmentNode.COORDINATION_ENVIRONMENT
    • AbstractEnvironmentNode.DEFAULT_EXTENSIONS
    • AbstractEnvironmentNode.LIGANDS_ARRANGEMENT
    • AbstractEnvironmentNode.NEIGHBORING_CES
    • AbstractEnvironmentNode.NEIGHBORING_COORDINATION_ENVIRONMENTS
    • AbstractEnvironmentNode.NEIGHBORS_LIGANDS_ARRANGEMENT
    • AbstractEnvironmentNode.NUMBER_OF_LIGANDS_FOR_EACH_NEIGHBORING_CE
    • AbstractEnvironmentNode.NUMBER_OF_LIGANDS_FOR_EACH_NEIGHBORING_COORDINATION_ENVIRONMENT
    • AbstractEnvironmentNode.NUMBER_OF_NEIGHBORING_CES
    • AbstractEnvironmentNode.NUMBER_OF_NEIGHBORING_COORDINATION_ENVIRONMENTS
    • AbstractEnvironmentNode.atom_symbol
    • AbstractEnvironmentNode.ce
    • AbstractEnvironmentNode.ce_symbol
    • AbstractEnvironmentNode.coordination_environment
    • AbstractEnvironmentNode.everything_equal()
    • AbstractEnvironmentNode.isite
    • AbstractEnvironmentNode.mp_symbol
  • EnvironmentNode
    • EnvironmentNode.coordination_environment
    • EnvironmentNode.everything_equal()
  • get_environment_node()
• pymatgen.analysis.chemenv.connectivity.structure_connectivity module
  • StructureConnectivity
    • StructureConnectivity.add_bonds()
    • StructureConnectivity.add_sites()
    • StructureConnectivity.as_dict()
    • StructureConnectivity.environment_subgraph()
    • StructureConnectivity.from_dict()
    • StructureConnectivity.get_connected_components()
    • StructureConnectivity.print_links()
    • StructureConnectivity.setup_atom_environment_subgraph()
    • StructureConnectivity.setup_atom_environments_subgraph()
    • StructureConnectivity.setup_connectivity_description()
    • StructureConnectivity.setup_environment_subgraph()
    • StructureConnectivity.setup_environments_subgraph()
  • get_delta_image()

Module contents

Package for analyzing connectivity.