Index

A

append() (bsym.symmetry_group.SymmetryGroup method) apply_species_mapping() (in module bsym.configuration_space) array_to_bytes() (bsym.configuration.Configuration static method)

as_bytes() (bsym.configuration.Configuration method) as_number (bsym.configuration.Configuration property) as_number() (in module bsym.configuration) as_vector() (bsym.symmetry_operation.SymmetryOperation method)

B

bsym.configuration module bsym.configuration_space module bsym.coordinate_config_space module bsym.interface.pymatgen module bsym.permutations module

bsym.point_group module bsym.space_group module bsym.symmetry_group module bsym.symmetry_operation module by_label() (bsym.symmetry_group.SymmetryGroup method)

C

character() (bsym.symmetry_operation.SymmetryOperation method) class_str (bsym.point_group.PointGroup attribute) (bsym.space_group.SpaceGroup attribute) (bsym.symmetry_group.SymmetryGroup attribute) colourings_generator() (in module bsym.configuration_space)

Configuration (class in bsym.configuration) configuration_space_from_molecule() (in module bsym.interface.pymatgen) configuration_space_from_structure() (in module bsym.interface.pymatgen) ConfigurationSpace (class in bsym.configuration_space) CoordinateConfigSpace (class in bsym.coordinate_config_space) count (bsym.configuration.Configuration attribute)

E

enumerate_configurations() (bsym.configuration_space.ConfigurationSpace method)

extend() (bsym.symmetry_group.SymmetryGroup method)

F

flatten_list() (in module bsym.permutations) from_dict() (bsym.configuration.Configuration class method)

from_tuple() (bsym.configuration.Configuration class method) from_vector() (bsym.symmetry_operation.SymmetryOperation class method)

G

get_byte_equivalents() (bsym.configuration.Configuration method)

H

has_equivalent_in_list() (bsym.configuration.Configuration method)

I

invert() (bsym.symmetry_operation.SymmetryOperation method) is_equivalent_to() (bsym.configuration.Configuration method)

is_in_list() (bsym.configuration.Configuration method) is_permutation_matrix() (in module bsym.symmetry_operation) is_square() (in module bsym.symmetry_operation)

L

labels (bsym.symmetry_group.SymmetryGroup property)

load_configurations() (in module bsym.configuration) lowest_numeric_representation (bsym.configuration.Configuration attribute)

M

map_objects() (bsym.configuration.Configuration method) matches() (bsym.configuration.Configuration method) module bsym.configuration bsym.configuration_space bsym.coordinate_config_space bsym.interface.pymatgen bsym.permutations bsym.point_group bsym.space_group bsym.symmetry_group bsym.symmetry_operation

molecule_cartesian_coordinates_mapping() (in module bsym.interface.pymatgen) molecule_mapping_list() (in module bsym.interface.pymatgen)

N

new_structure_from_substitution() (in module bsym.interface.pymatgen)

number_of_unique_permutations() (in module bsym.permutations) numeric_equivalents() (bsym.configuration.Configuration method)

O

operate_on() (bsym.symmetry_group.SymmetryGroup method) (bsym.symmetry_operation.SymmetryOperation method)

P

parse_site_distribution() (in module bsym.interface.pymatgen) point_group_from_molecule() (in module bsym.interface.pymatgen) PointGroup (class in bsym.point_group)

position() (bsym.configuration.Configuration method) pprint() (bsym.configuration.Configuration method) (bsym.symmetry_operation.SymmetryOperation method)

R

random_unique_configurations() (bsym.configuration_space.ConfigurationSpace method) random_unique_structure_substitutions() (in module bsym.interface.pymatgen)

read_from_file() (bsym.symmetry_group.SymmetryGroup class method) read_from_file_with_labels() (bsym.symmetry_group.SymmetryGroup class method)

S

save_configurations() (in module bsym.configuration) save_symmetry_operation_vectors_to() (bsym.symmetry_group.SymmetryGroup method) set_label() (bsym.symmetry_operation.SymmetryOperation method) set_lowest_numeric_representation() (bsym.configuration.Configuration method) similarity_transform() (bsym.symmetry_operation.SymmetryOperation method) size (bsym.symmetry_group.SymmetryGroup property) space_group_from_structure() (in module bsym.interface.pymatgen)

space_group_symbol_from_structure() (in module bsym.interface.pymatgen) SpaceGroup (class in bsym.space_group) stacked_index_mappings (bsym.symmetry_group.SymmetryGroup property) structure_cartesian_coordinates_mapping() (in module bsym.interface.pymatgen) structure_mapping_list() (in module bsym.interface.pymatgen) SupportsRichComparison (class in bsym.permutations) SymmetryGroup (class in bsym.symmetry_group) SymmetryOperation (class in bsym.symmetry_operation)

T

to_dict() (bsym.configuration.Configuration method)

tolist() (bsym.configuration.Configuration method) tuple_to_bytes() (bsym.configuration.Configuration static method)

U

unique_colourings() (bsym.configuration_space.ConfigurationSpace method) unique_configurations() (bsym.configuration_space.ConfigurationSpace method) unique_configurations_by_composition() (bsym.configuration_space.ConfigurationSpace method) unique_coordinates() (bsym.coordinate_config_space.CoordinateConfigSpace method)

unique_index_mappings (bsym.symmetry_group.SymmetryGroup property) unique_permutations() (in module bsym.permutations) unique_structure_substitutions() (in module bsym.interface.pymatgen) unique_structure_substitutions_by_composition() (in module bsym.interface.pymatgen) unique_symmetry_operations_as_vectors_from_structure() (in module bsym.interface.pymatgen)