cifkit.models package
Submodules
- cifkit.models.cif module
CifCif.CN_avg_by_best_methodsCif.CN_avg_by_min_dist_methodCif.CN_best_methodsCif.CN_bond_count_by_best_methodsCif.CN_bond_count_by_best_methods_sorted_by_mendeleevCif.CN_bond_count_by_min_dist_methodCif.CN_bond_count_by_min_dist_method_sorted_by_mendeleevCif.CN_bond_fractions_by_best_methodsCif.CN_bond_fractions_by_best_methods_sorted_by_mendeleevCif.CN_bond_fractions_by_min_dist_methodCif.CN_bond_fractions_by_min_dist_method_sorted_by_mendeleevCif.CN_connections_by_best_methodsCif.CN_connections_by_min_dist_methodCif.CN_max_by_best_methodsCif.CN_max_by_min_dist_methodCif.CN_max_gap_per_siteCif.CN_min_by_best_methodsCif.CN_min_by_min_dist_methodCif.CN_unique_values_by_best_methodsCif.CN_unique_values_by_min_dist_methodCif.compute_CN()Cif.compute_connections()Cif.connections_flattenedCif.get_polyhedron_labels_by_CN_best_methods()Cif.get_polyhedron_labels_by_CN_min_dist_method()Cif.plot_polyhedron()Cif.radius_sumCif.radius_valuesCif.shortest_bond_pair_distanceCif.shortest_distanceCif.shortest_site_pair_distance
ensure_connections()
- cifkit.models.cif_ensemble module
CifEnsembleCifEnsemble.CN_unique_values_by_best_methodsCifEnsemble.CN_unique_values_by_min_dist_methodCifEnsemble.composition_type_statsCifEnsemble.copy_cif_files()CifEnsemble.filter_by_CN_best_methods_containing()CifEnsemble.filter_by_CN_best_methods_exact_matching()CifEnsemble.filter_by_CN_min_dist_method_containing()CifEnsemble.filter_by_CN_min_dist_method_exact_matching()CifEnsemble.filter_by_composition_types()CifEnsemble.filter_by_elements_containing()CifEnsemble.filter_by_elements_exact_matching()CifEnsemble.filter_by_formulas()CifEnsemble.filter_by_min_distance()CifEnsemble.filter_by_site_mixing_types()CifEnsemble.filter_by_space_group_names()CifEnsemble.filter_by_space_group_numbers()CifEnsemble.filter_by_structures()CifEnsemble.filter_by_supercell_count()CifEnsemble.filter_by_tags()CifEnsemble.formula_statsCifEnsemble.generate_CN_by_best_methods_histogram()CifEnsemble.generate_CN_by_min_dist_method_histogram()CifEnsemble.generate_composition_type_histogram()CifEnsemble.generate_elements_histogram()CifEnsemble.generate_formula_histogram()CifEnsemble.generate_site_mixing_type_histogram()CifEnsemble.generate_space_group_name_histogram()CifEnsemble.generate_space_group_number_histogram()CifEnsemble.generate_structure_histogram()CifEnsemble.generate_supercell_size_histogram()CifEnsemble.generate_tag_histogram()CifEnsemble.minimum_distancesCifEnsemble.move_cif_files()CifEnsemble.site_mixing_type_statsCifEnsemble.space_group_name_statsCifEnsemble.space_group_number_statsCifEnsemble.structure_statsCifEnsemble.supercell_atom_countsCifEnsemble.supercell_size_statsCifEnsemble.tag_statsCifEnsemble.unique_CN_values_by_method_methods_statCifEnsemble.unique_CN_values_by_min_dist_method_statCifEnsemble.unique_composition_typesCifEnsemble.unique_elementsCifEnsemble.unique_elements_statsCifEnsemble.unique_formulasCifEnsemble.unique_site_mixing_typesCifEnsemble.unique_space_group_namesCifEnsemble.unique_space_group_numbersCifEnsemble.unique_structuresCifEnsemble.unique_tags