Update app.py

app.py

@@ -17,6 +17,16 @@ atom_mapping = {
     "F": 3,
     3: "F",
 }
+bond_mapping = {
+    "SINGLE": 0,
+    0: Chem.BondType.SINGLE,
+    "DOUBLE": 1,
+    1: Chem.BondType.DOUBLE,
+    "TRIPLE": 2,
+    2: Chem.BondType.TRIPLE,
+    "AROMATIC": 3,
+    3: Chem.BondType.AROMATIC,
+}
 NUM_ATOMS = 9  # Maximum number of atoms
 ATOM_DIM = 4 + 1  # Number of atom types
 BOND_DIM = 4 + 1  # Number of bond types