.. _materials-api-index: Materials API =================================== The Materials API provides the fundamental functionality of MatGraphDB, offering a robust interface for managing a graph database. This module contains the essential classes and methods that enable database-like operations The core components include: - :class:`MatGraphDB ` - The main interface class that provides database-like operations over Parquet files. This class handles data storage, retrieval, querying, schema evolution, and complex data type management through an intuitive API that wraps PyArrow's functionality. - :class:`MaterialStore ` - A store for managing materials in a graph database. Node Generators ======================== - :func:`element ` - A function that generates the elements of a material. - :func:`chemenv ` - A function that generates the chemical environments of a material. - :func:`crystal_system ` - A function that generates the crystal systems of a material. - :func:`magnetic_state ` - A function that generates the magnetic states of a material. - :func:`oxidation_state ` - A function that generates the oxidation states of a material. - :func:`space_group ` - A function that generates the space groups of a material. - :func:`wyckoff ` - A function that generates the wyckoffs of a material. Edge Generators ======================== - :func:`element_element_neighborsByGroupPeriod ` - A function that generates the neighbors of an element by group and period. - :func:`element_element_bonds ` - A function that generates the bonds of an element. - :func:`element_oxiState_canOccur ` - A function that generates the possible oxidation states of an element. - :func:`material_chemenv_containsSite ` - A function that generates the sites of a material. - :func:`material_crystalSystem_has ` - A function that generates the crystal system of a material. - :func:`material_element_has ` - A function that generates the elements of a material. - :func:`material_lattice_has ` - A function that generates the lattice of a material. - :func:`material_spg_has ` - A function that generates the space group of a material. - :func:`element_chemenv_canOccur ` - A function that generates the possible oxidation states of an element. - :func:`spg_crystalSystem_isApart ` - A function that generates the crystal system of a material. .. toctree:: :maxdepth: 2 matgraphdb_base edge_generators node_generators material_store