Index

A

adjacent_vertex_pairs() (in module polyhedral_analysis.octahedral_analysis) angles() (CoordinationPolyhedron method)

as_dict() (Atom method) Atom (class in polyhedral_analysis.atom)

B

best_fit_geometry (CoordinationPolyhedron property)

C

centroid() (CoordinationPolyhedron method) centroid_to_central_atom_vector() (CoordinationPolyhedron method) check_octahedra() (in module polyhedral_analysis.octahedral_analysis) construct_edge_graph() (CoordinationPolyhedron method) continuous_symmetry_measure() (in module polyhedral_analysis.csm) convex_hull() (CoordinationPolyhedron method)

coordination_distances() (CoordinationPolyhedron method) coordination_number (CoordinationPolyhedron property) CoordinationPolyhedron (class in polyhedral_analysis.coordination_polyhedron) coords (Atom property) corner_sharing_neighbour_list() (CoordinationPolyhedron method) cos_theta() (in module polyhedral_analysis.orientation_parameters) create_matching_site_generator() (in module polyhedral_analysis.polyhedra_recipe)

D

discrete_orientation() (RotationAnalyser method)

distance() (Atom method)

E

edge_graph (CoordinationPolyhedron property) edge_sharing_neighbour_list() (CoordinationPolyhedron method) edge_vertex_indices() (CoordinationPolyhedron method)

equal_edge_graph() (CoordinationPolyhedron method) equal_members() (CoordinationPolyhedron method) equal_vertices() (CoordinationPolyhedron method)

F

face_sharing_neighbour_list() (CoordinationPolyhedron method) faces() (CoordinationPolyhedron method) flatten() (in module polyhedral_analysis.utils)

frac_coords (Atom property) from_name() (SymmetryMeasure class method) from_sites() (CoordinationPolyhedron class method)

G

generator_from_atom_argument() (in module polyhedral_analysis.polyhedra_recipe)

get_reference_geometry() (in module polyhedral_analysis.reference_geometries)

I

in_polyhedra (Atom attribute) index (CoordinationPolyhedron property) IndexGenerator (class in polyhedral_analysis.polyhedra_recipe) intersection() (CoordinationPolyhedron method)

isomer_is_cis() (in module polyhedral_analysis.octahedral_analysis) isomer_is_fac() (in module polyhedral_analysis.octahedral_analysis) isomer_is_mer() (in module polyhedral_analysis.octahedral_analysis) isomer_is_trans() (in module polyhedral_analysis.octahedral_analysis)

L

label (CoordinationPolyhedron property)

lattice_mc_string() (in module polyhedral_analysis.utils)

M

matching_site_indices() (in module polyhedral_analysis.polyhedra_recipe) matching_sites() (in module polyhedral_analysis.polyhedra_recipe) minimum_image_vertex_coordinates() (CoordinationPolyhedron method) minimum_symmetry_measure() (SymmetryMeasure method) module polyhedral_analysis.atom polyhedral_analysis.configuration polyhedral_analysis.coordination_polyhedron polyhedral_analysis.csm polyhedral_analysis.octahedral_analysis polyhedral_analysis.orientation_parameters polyhedral_analysis.plotting polyhedral_analysis.polyhedra_recipe polyhedral_analysis.polyhedron_trajectory polyhedral_analysis.reference_geometries polyhedral_analysis.rotation_analyser polyhedral_analysis.symmetry_measure polyhedral_analysis.trajectory polyhedral_analysis.utils

N

neighbours (Atom attribute)

neighbours() (CoordinationPolyhedron method) neighbours_by_index_and_shared_vertices() (CoordinationPolyhedron method)

O

oct_rotational_order_parameter() (in module polyhedral_analysis.orientation_parameters) off_centre_displacement (CoordinationPolyhedron property)

opposite_vertex_distances() (in module polyhedral_analysis.octahedral_analysis) opposite_vertex_pairs() (in module polyhedral_analysis.octahedral_analysis) OrientationDict (class in polyhedral_analysis.rotation_analyser)

P

permutations (SymmetryMeasure property) plot_orientation_distribution() (in module polyhedral_analysis.plotting) polyhedra_from_atom_indices() (in module polyhedral_analysis.polyhedra_recipe) polyhedra_from_closest_centre() (in module polyhedral_analysis.polyhedra_recipe) polyhedra_from_distance_cutoff() (in module polyhedral_analysis.polyhedra_recipe) polyhedra_from_nearest_neighbours() (in module polyhedral_analysis.polyhedra_recipe) polyhedral_analysis.atom module polyhedral_analysis.configuration module polyhedral_analysis.coordination_polyhedron module polyhedral_analysis.csm module polyhedral_analysis.octahedral_analysis module polyhedral_analysis.orientation_parameters module polyhedral_analysis.plotting module

polyhedral_analysis.polyhedra_recipe module polyhedral_analysis.polyhedron_trajectory module polyhedral_analysis.reference_geometries module polyhedral_analysis.rotation_analyser module polyhedral_analysis.symmetry_measure module polyhedral_analysis.trajectory module polyhedral_analysis.utils module polyhedron_orientation() (RotationAnalyser method) PolyhedronTrajectory (class in polyhedral_analysis.polyhedron_trajectory) projection_xyz() (in module polyhedral_analysis.orientation_parameters) proper_rotations (RotationAnalyser property) prune_neighbour_list() (in module polyhedral_analysis.utils)

R

radial_distortion_parameter() (CoordinationPolyhedron method) reduced_permutations (RotationAnalyser property)

reference_points (RotationAnalyser attribute) rotation_matrix (SymmetryMeasureResult attribute) RotationAnalyser (class in polyhedral_analysis.rotation_analyser)

S

scaling_factor (SymmetryMeasureResult attribute) set_label() (CoordinationPolyhedron method) symmetry_measure (CoordinationPolyhedron property) (SymmetryMeasureResult attribute)

SymmetryMeasure (class in polyhedral_analysis.symmetry_measure) SymmetryMeasureResult (class in polyhedral_analysis.csm)

T

T (class in polyhedral_analysis.utils) to() (Atom method)

trans_vector_orthogonality() (in module polyhedral_analysis.octahedral_analysis) trans_vertex_vectors() (in module polyhedral_analysis.octahedral_analysis)

U

update_vertex_neighbours() (CoordinationPolyhedron method)

V

vertex_angles() (CoordinationPolyhedron method) vertex_coords (CoordinationPolyhedron property) vertex_count (CoordinationPolyhedron property) vertex_distances() (CoordinationPolyhedron method) vertex_distances_and_labels() (CoordinationPolyhedron method) vertex_indices (CoordinationPolyhedron property)

vertex_internal_index_from_global_index() (CoordinationPolyhedron method) vertex_labels (CoordinationPolyhedron property) vertex_vector_orientations() (CoordinationPolyhedron method) vertex_vector_projections() (CoordinationPolyhedron method) vertex_vectors() (CoordinationPolyhedron method) vertices_by_indices() (CoordinationPolyhedron method) volume (CoordinationPolyhedron property)