List of all items
Structs
- descriptors_ffi::Properties
- fingerprint_ffi::ExplicitBitVect
- mol_ops_ffi::RemoveHsParameters
- mol_standardize_ffi::CleanupParameters
- mol_standardize_ffi::TautomerEnumerator
- mol_standardize_ffi::TautomerEnumeratorResult
- mol_standardize_ffi::Uncharger
- ro_mol_ffi::Atom
- ro_mol_ffi::HybridizationType
- ro_mol_ffi::MolSanitizeException
- ro_mol_ffi::MolSanitizeExceptionUniquePtr
- ro_mol_ffi::ROMol
- ro_mol_ffi::SmilesParserParams
- rw_mol_ffi::RWMol
- scaffold_network_ffi::ScaffoldNetworkClass
- scaffold_network_ffi::ScaffoldNetworkParams
- substruct_match_ffi::MatchVectType
- substruct_match_ffi::SubstructMatchItem
- substruct_match_ffi::SubstructMatchParameters
Functions
- 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::morgan_fingerprint_mol
- fingerprint_ffi::pattern_fingerprint_mol
- fingerprint_ffi::rdk_fingerprint_mol
- mol_ops_ffi::add_hs
- mol_ops_ffi::clean_up
- mol_ops_ffi::get_remove_and_track_isotopes
- mol_ops_ffi::get_remove_defining_bond_stereo
- mol_ops_ffi::get_remove_degree_zero
- mol_ops_ffi::get_remove_dummy_neighbors
- mol_ops_ffi::get_remove_higher_degrees
- mol_ops_ffi::get_remove_hydrides
- mol_ops_ffi::get_remove_in_s_groups
- mol_ops_ffi::get_remove_isotopes
- mol_ops_ffi::get_remove_mapped
- mol_ops_ffi::get_remove_nonimplicit
- mol_ops_ffi::get_remove_nontetrahedral_neighbors
- mol_ops_ffi::get_remove_only_h_neighbors
- mol_ops_ffi::get_remove_with_query
- mol_ops_ffi::get_remove_with_wedged_bond
- mol_ops_ffi::get_show_warnings
- mol_ops_ffi::get_update_explicit_count
- mol_ops_ffi::new_remove_hs_parameters
- mol_ops_ffi::remove_hs_parameters
- mol_ops_ffi::romol_set_hybridization
- mol_ops_ffi::set_remove_and_track_isotopes
- mol_ops_ffi::set_remove_defining_bond_stereo
- mol_ops_ffi::set_remove_degree_zero
- mol_ops_ffi::set_remove_dummy_neighbors
- mol_ops_ffi::set_remove_higher_degrees
- mol_ops_ffi::set_remove_hydrides
- mol_ops_ffi::set_remove_in_s_groups
- mol_ops_ffi::set_remove_isotopes
- mol_ops_ffi::set_remove_mapped
- mol_ops_ffi::set_remove_nonimplicit
- mol_ops_ffi::set_remove_nontetrahedral_neighbors
- mol_ops_ffi::set_remove_only_h_neighbors
- mol_ops_ffi::set_remove_with_query
- mol_ops_ffi::set_remove_with_wedged_bond
- mol_ops_ffi::set_show_warnings
- mol_ops_ffi::set_update_explicit_count
- 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
- periodic_table_ffi::get_most_common_isotope_mass
- periodic_table_ffi::get_valence_list
- ro_mol_ffi::atom_get_hybridization
- ro_mol_ffi::atom_sanitize_exception_get_atom_idx
- ro_mol_ffi::atom_set_hybridization
- ro_mol_ffi::atom_update_property_cache
- ro_mol_ffi::copy_mol
- ro_mol_ffi::detect_chemistry_problems
- ro_mol_ffi::get_atom_with_idx
- ro_mol_ffi::get_atomic_num
- ro_mol_ffi::get_bool_prop
- ro_mol_ffi::get_degree
- ro_mol_ffi::get_float_prop
- ro_mol_ffi::get_formal_charge
- ro_mol_ffi::get_int_prop
- ro_mol_ffi::get_is_aromatic
- ro_mol_ffi::get_num_atoms
- ro_mol_ffi::get_num_radical_electrons
- ro_mol_ffi::get_prop
- ro_mol_ffi::get_symbol
- ro_mol_ffi::get_total_num_hs
- ro_mol_ffi::get_total_valence
- ro_mol_ffi::mol_sanitize_exception_type
- ro_mol_ffi::mol_to_molblock
- ro_mol_ffi::mol_to_smiles
- ro_mol_ffi::new_smiles_parser_params
- ro_mol_ffi::ro_mol_update_property_cache
- ro_mol_ffi::set_bool_prop
- ro_mol_ffi::set_float_prop
- ro_mol_ffi::set_formal_charge
- ro_mol_ffi::set_int_prop
- ro_mol_ffi::set_num_explicit_hs
- ro_mol_ffi::set_prop
- ro_mol_ffi::smiles_parser_params_get_sanitize
- 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
- rw_mol_ffi::rw_mol_to_ro_mol
- rw_mol_ffi::smarts_to_mol
- scaffold_network_ffi::collect_mol_counts
- scaffold_network_ffi::default_scaffold_network
- scaffold_network_ffi::default_scaffold_network_params
- scaffold_network_ffi::flatten_chirality
- scaffold_network_ffi::flatten_isotopes
- scaffold_network_ffi::flatten_keep_largest
- scaffold_network_ffi::include_generic_bond_scaffolds
- scaffold_network_ffi::include_scaffolds_with_attachments
- scaffold_network_ffi::include_scaffolds_without_attachments
- scaffold_network_ffi::keep_only_first_fragment
- scaffold_network_ffi::new_scaffold_network_params
- scaffold_network_ffi::prune_before_fragmenting
- scaffold_network_ffi::set_include_generic_scaffolds
- substruct_match_ffi::get_aromatic_matches_conjugated
- substruct_match_ffi::get_recursion_possible
- substruct_match_ffi::get_uniquify
- substruct_match_ffi::get_use_chirality
- substruct_match_ffi::get_use_enhanced_stereo
- substruct_match_ffi::get_use_generic_matchers
- substruct_match_ffi::get_use_query_query_matches
- substruct_match_ffi::new_substruct_match_parameters
- substruct_match_ffi::set_aromatic_matches_conjugated
- substruct_match_ffi::set_recursion_possible
- substruct_match_ffi::set_uniquify
- substruct_match_ffi::set_use_chirality
- substruct_match_ffi::set_use_enhanced_stereo
- substruct_match_ffi::set_use_generic_matchers
- substruct_match_ffi::set_use_query_query_matches
- substruct_match_ffi::substruct_match
- substruct_match_ffi::substruct_match_item_mol_atom_idx
- substruct_match_ffi::substruct_match_item_query_atom_idx
- substruct_match_ffi::substruct_matchvect_type_to_vec_substruct_match_item