implementing predict smiles

app.py

@@ -205,11 +205,12 @@ if image_file is not None:
         molecule['stereo_atoms'] = stereo_atoms
         molecule['charge_atoms'] = charge_atoms
         mol_graphs.append(molecule)
-        base_path = pathlib.Path(args.data_path)
-        image_dir = base_path.joinpath("images")
-        smiles_dir = base_path.joinpath("smiles")
-        impath = image_dir.joinpath(f"{image_idx}.png")
-        smilespath = smiles_dir.joinpath(f"{image_idx}.txt")
+        #base_path="./"
+        #base_path = pathlib.Path(args.data_path)
+        #image_dir = base_path.joinpath("images")
+        #smiles_dir = base_path.joinpath("smiles")
+        #impath = image_dir.joinpath(f"{image_idx}.png")
+        #smilespath = smiles_dir.joinpath(f"{image_idx}.txt")
         save_mol_to_file(molecule,'molfile')
         mol =  Chem.MolFromMolFile('molfile',sanitize=False)
         problematic = 0