:sparkles: add more tests (3f7a130d) · Commits · 钟慕尧 / deepchem

deepchem/feat/tests/test_mol2vec_fingerprint.py

+7 −4

Original line number	Diff line number	Diff line
		import unittest

		import numpy as np

		from deepchem.feat import Mol2VecFingerprint


		@@ -21,8 +23,9 @@ class TestMol2VecFingerprint(unittest.TestCase):
		Test simple fingerprint.
		"""
		featurizer = Mol2VecFingerprint()
		feature = featurizer([self.mol])
		assert feature.shape == (1, 300)
		feature_sum = featurizer([self.mol])
		assert feature_sum.shape == (1, 300)
		featurizer = Mol2VecFingerprint(gather_method='mean')
		feature = featurizer([self.mol])
		assert feature.shape == (1, 300)
		feature_mean = featurizer([self.mol])
		assert feature_mean.shape == (1, 300)
		assert not np.allclose(feature_sum, feature_mean)