Fix for extracting substructure vocabulary

wengong-jin#24
rl27 · Jun 20, 2022 · 2acc395 · 2acc395
1 parent e396dba
commit 2acc395
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/hgraph/chemutils.py b/hgraph/chemutils.py
@@ -14,7 +14,7 @@ def set_atommap(mol, num=0):
 
 def get_mol(smiles):
     mol = Chem.MolFromSmiles(smiles)
-    if mol is not None: Chem.Kekulize(mol)
+    if mol is not None: Chem.Kekulize(mol, clearAromaticFlags=True)
     return mol
 
 def get_smiles(mol):