List of all items
Structs
- atom_ffi::Atom
- descriptors_ffi::Properties
- fingerprint_ffi::ExplicitBitVect
- mol_standardize_ffi::CleanupParameters
- mol_standardize_ffi::TautomerEnumerator
- mol_standardize_ffi::TautomerEnumeratorResult
- mol_standardize_ffi::Uncharger
- ro_mol_ffi::MolSanitizeException
- ro_mol_ffi::ROMol
- ro_mol_ffi::SmilesParserParams
- rw_mol_ffi::RWMol
- substruct_match_ffi::MatchVectType
- substruct_match_ffi::SubstructMatchParameters
Functions
- atom_ffi::atom_from_symbol
- atom_ffi::get_symbol
- descriptors_ffi::compute_properties
- descriptors_ffi::get_property_names
- descriptors_ffi::new_properties
- fingerprint_ffi::copy_explicit_bit_vect
- fingerprint_ffi::explicit_bit_vect_to_u64_vec
- fingerprint_ffi::fingerprint_mol
- inchi_ffi::inchi_to_inchi_key
- inchi_ffi::inchi_to_mol
- inchi_ffi::mol_to_inchi
- mol_standardize_ffi::default_cleanup_parameters
- mol_standardize_ffi::fragment_parent
- mol_standardize_ffi::new_uncharger
- mol_standardize_ffi::normalize
- mol_standardize_ffi::tautomer_enumerate
- mol_standardize_ffi::tautomer_enumerator
- mol_standardize_ffi::tautomer_enumerator_canonicalize
- mol_standardize_ffi::tautomer_enumerator_result_tautomers_at
- mol_standardize_ffi::tautomer_enumerator_result_tautomers_size
- mol_standardize_ffi::uncharger_uncharge
- ro_mol_ffi::copy_mol
- ro_mol_ffi::detect_chemistry_problems
- ro_mol_ffi::get_atom_with_idx
- ro_mol_ffi::get_num_atoms
- ro_mol_ffi::mol_to_smiles
- ro_mol_ffi::new_smiles_parser_params
- ro_mol_ffi::smiles_parser_params_set_sanitize
- ro_mol_ffi::smiles_to_mol
- ro_mol_ffi::smiles_to_mol_with_params
- rw_mol_ffi::rw_mol_from_mol_block
- rw_mol_ffi::rw_mol_from_ro_mol
- rw_mol_ffi::rw_mol_from_rw_mol
- substruct_match_ffi::new_substruct_match_parameters
- substruct_match_ffi::substruct_match
- substruct_match_ffi::substruct_match_as_bool