issue 7650 - update GetMolLayers return typehint (#8189)

* update return type

* try using typing.Dict
This commit is contained in:
mattwedge-elixir
2025-01-23 05:08:28 +00:00
committed by greg landrum
parent 1ddf5846d7
commit 3e04457d4e

View File

@@ -26,7 +26,7 @@ import hashlib
import json
import logging
import re
from typing import Iterable, Optional
from typing import Dict, Iterable, Optional
from rdkit import Chem
from rdkit.Chem import rdMolHash
@@ -115,7 +115,7 @@ def GetMolHash(all_layers, hash_scheme: HashScheme = HashScheme.ALL_LAYERS) -> s
def GetMolLayers(original_molecule: Chem.rdchem.Mol, data_field_names: Optional[Iterable] = None,
escape: Optional[str] = None, cxflag=DEFAULT_CXFLAG,
enable_tautomer_hash_v2=False) -> set(HashLayer):
enable_tautomer_hash_v2=False) -> Dict[HashLayer, str]:
"""
Generate layers of data about that could be used to identify a molecule