check meeko prop in RDKitMolCreate.combine_mols()

forlilab · Dec 26, 2023 · 9e8a7ad · 9e8a7ad
1 parent 54a69c0
commit 9e8a7ad
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
@@ -367,13 +367,15 @@ def combine_rdkit_mols(mol_list):
         for mol in mol_list:
             if mol is None:
                 continue
-            data = json.loads(mol.GetProp("meeko"))
-            clean_extend(props, data)
+            if mol.HasProp("meeko"):
+                data = json.loads(mol.GetProp("meeko"))
+                clean_extend(props, data)
             if combined_mol is None: # first iteration
                 combined_mol = mol
             else:
                 combined_mol = Chem.CombineMols(combined_mol, mol)
-        combined_mol.SetProp("meeko", json.dumps(props))
+        if len(props) > 0:
+            combined_mol.SetProp("meeko", json.dumps(props))
         return combined_mol
 
     @classmethod