Merge pull request #594 from levipierce/hash_fail_593 (8b464565) · Commits · 钟慕尧 / deepchem

deepchem/feat/rdkit_grid_featurizer.py

+2 −1

Original line number	Diff line number	Diff line
		@@ -192,7 +192,7 @@ def hash_ecfp(ecfp, power):
		Returns an int of size 2^power representing that
		ECFP fragment. Input must be a string.
		"""

		ecfp = ecfp.encode('utf-8')
		md5 = hashlib.md5()
		md5.update(ecfp)
		digest = md5.hexdigest()
		@@ -206,6 +206,7 @@ def hash_ecfp_pair(ecfp_pair, power):
		ECFP pair. Input must be a tuple of strings.
		"""
		ecfp = "%s,%s" % (ecfp_pair[0], ecfp_pair[1])
		ecfp = ecfp.encode('utf-8')
		md5 = hashlib.md5()
		md5.update(ecfp)
		digest = md5.hexdigest()