pymatgen.analysis.chemenv.connectivity.environment_nodes module
Environment nodes module.
- class AbstractEnvironmentNode(central_site, i_central_site)[source]
Bases:
monty.json.MSONable
Abstract class used to define an environment as a node in a graph.
Constructor for the AbstractEnvironmentNode object.
- Parameters
central_site (Site or subclass of Site) – central site as a pymatgen Site or subclass of Site (e.g. PeriodicSite, …).
i_central_site (int) – Index of the central site in the structure.
- class EnvironmentNode(central_site, i_central_site, ce_symbol)[source]
Bases:
pymatgen.analysis.chemenv.connectivity.environment_nodes.AbstractEnvironmentNode
Class used to define an environment as a node in a graph.
Constructor for the EnvironmentNode object.
- Parameters
central_site (Site or subclass of Site) – central site as a pymatgen Site or subclass of Site (e.g. PeriodicSite, …).
i_central_site (int) – Index of the central site in the structure.
ce_symbol (str) – Symbol of the identified environment.
- get_environment_node(central_site, i_central_site, ce_symbol)[source]
Get the EnvironmentNode class or subclass for the given site and symbol.
- Parameters
central_site (Site or subclass of Site) – Central site of the environment.
i_central_site (int) – Index of the central site in the structure.
ce_symbol – Symbol of the environment.
- Returns
An EnvironmentNode object.