Index

A

all_data_from_cml() (in module group_decomposition.utils)

C

count_fgs() (in module group_decomposition.fg_query)

count_groups_in_set() (in module group_decomposition.fragfunctions) count_uniques() (in module group_decomposition.fragfunctions)

D

data_from_cml() (in module group_decomposition.utils)

G

generate_molecule_fragments() (in module group_decomposition.fragfunctions) get_canonical_molecule() (in module group_decomposition.utils) get_cml_atom_types() (in module group_decomposition.utils) get_molecules_atomicnum() (in module group_decomposition.utils) get_molecules_atomsinrings() (in module group_decomposition.utils)

group_decomposition.fg_query module group_decomposition.fragfunctions module group_decomposition.utils module

I

identify_connected_fragments() (in module group_decomposition.fragfunctions)

L

link_molecules() (in module group_decomposition.utils)

list_to_str() (in module group_decomposition.utils)

M

merge_uniques() (in module group_decomposition.fragfunctions) module group_decomposition.fg_query group_decomposition.fragfunctions group_decomposition.utils

mol_from_cml() (in module group_decomposition.utils) mol_from_molfile() (in module group_decomposition.utils) mol_with_atom_index() (in module group_decomposition.utils)

O

output_ifc_dict() (in module group_decomposition.fragfunctions)

output_ifc_gjf() (in module group_decomposition.fragfunctions)

Q

query_pattern() (in module group_decomposition.fg_query)

S

smiles_from_cml() (in module group_decomposition.utils)

T

trim_placeholders() (in module group_decomposition.utils)

X

xyz_from_cml() (in module group_decomposition.utils)

xyz_list_to_str() (in module group_decomposition.utils)