From d6e2275c1ecee1b6471ec4989130681dc3da9b40 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Sat, 24 Jul 2021 21:03:06 -0400
Subject: [PATCH] catch rdkit ModuleNotFoundError

---
 dpdata/rdkit/utils.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/dpdata/rdkit/utils.py b/dpdata/rdkit/utils.py
index a8a52be86..0dc0a9a31 100644
--- a/dpdata/rdkit/utils.py
+++ b/dpdata/rdkit/utils.py
@@ -1,5 +1,8 @@
-from rdkit import Chem
-from rdkit.Chem import AllChem
+try:
+    from rdkit import Chem
+    from rdkit.Chem import AllChem
+except ModuleNotFoundError:
+    pass
 import numpy as np
 
 def mol_to_system_data(mol):
@@ -105,4 +108,4 @@ def combine_molecules(mols):
                 mols[0].AddConformer(conf, assignId=True)
         return mols[0]
     else:
-        raise ValueError("molecules are not of the same topology.")
\ No newline at end of file
+        raise ValueError("molecules are not of the same topology.")