From 3e04457d4e2408534b5a8b86217dc4ad79d75ccf Mon Sep 17 00:00:00 2001 From: mattwedge-elixir Date: Thu, 23 Jan 2025 05:08:28 +0000 Subject: [PATCH] issue 7650 - update GetMolLayers return typehint (#8189) * update return type * try using typing.Dict --- rdkit/Chem/RegistrationHash.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/rdkit/Chem/RegistrationHash.py b/rdkit/Chem/RegistrationHash.py index 0d70cc8e7..16390b1e1 100644 --- a/rdkit/Chem/RegistrationHash.py +++ b/rdkit/Chem/RegistrationHash.py @@ -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