From b8144975d2c82e799b4e7e9a07b9822e06774bbd Mon Sep 17 00:00:00 2001
From: hyunp2 <42776897+hyunp2@users.noreply.github.com>
Date: Mon, 18 Sep 2023 11:07:43 -0500
Subject: [PATCH] Update prepare_data_from_sdf.py

---
 utils/prepare_data_from_sdf.py | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/utils/prepare_data_from_sdf.py b/utils/prepare_data_from_sdf.py
index 4de13df0..e5c08723 100644
--- a/utils/prepare_data_from_sdf.py
+++ b/utils/prepare_data_from_sdf.py
@@ -18,13 +18,13 @@
 
 from docopt import docopt
 
-def prepare_sdf():
+def prepare_sdf(sdf_path, output_path, no_filters, verbose):
     # Parse args
-    args = docopt(__doc__)
-    sdf_path = args.get('--sdf_path')
-    output_path = args.get('--output_path')
-    no_filters = args.get('--no_filters')
-    verbose = args.get('--verbose')
+    # args = docopt(__doc__)
+    # sdf_path = args.get('--sdf_path')
+    # output_path = args.get('--output_path')
+    # no_filters = args.get('--no_filters')
+    # verbose = args.get('--verbose')
     
     # Load data
     conformers = Chem.SDMolSupplier(sdf_path)
@@ -94,6 +94,7 @@ def prepare_sdf():
 if __name__ == "__main__":
     # Parse args
     args = docopt(__doc__)
+    print(args)
     sdf_path = args.get('--sdf_path')
     output_path = args.get('--output_path')
     no_filters = args.get('--no_filters')