corrected yapf version (f641cbe2) · Commits · 钟慕尧 / deepchem

deepchem/feat/tests/test_smiles_featurizers.py

+6 −15

Original line number	Diff line number	Diff line
		@@ -13,12 +13,11 @@ class TestSmilesToSeq(unittest.TestCase):
		"""Setup."""
		pad_len = 5
		max_len = 35
		filename = os.path.join(os.path.dirname(__file__), "data",
		"chembl_25_small.csv")
		filename = os.path.join(
		os.path.dirname(__file__), "data", "chembl_25_small.csv")
		char_to_idx = create_char_to_idx(filename, max_len=max_len)
		self.feat = SmilesToSeq(char_to_idx=char_to_idx,
		max_len=max_len,
		pad_len=pad_len)
		self.feat = SmilesToSeq(
		char_to_idx=char_to_idx, max_len=max_len, pad_len=pad_len)

		def test_smiles_to_seq_featurize(self):
		"""Test SmilesToSeq featurization."""
		@@ -54,12 +53,6 @@ class TestSmilesToImage(unittest.TestCase):
		features = featurizer.featurize(self.smiles)
		assert features.shape == (2, 80, 80, 1)

		def test_smiles_to_image(self):
		"""Test default SmilesToImage"""
		featurizer = SmilesToImage()
		features = featurizer.featurize(self.smiles)
		assert features.shape == (2, 80, 80, 1)

		def test_smiles_to_image_with_res(self):
		"""Test SmilesToImage with res"""
		featurizer = SmilesToImage()
		@@ -95,9 +88,7 @@ class TestSmilesToImage(unittest.TestCase):

		def test_smiles_to_image_long_molecule(self):
		"""Test SmilesToImage for a molecule which does not fit the image"""
		featurizer = SmilesToImage(img_size=80,
		res=0.5,
		max_len=250,
		img_spec="std")
		featurizer = SmilesToImage(
		img_size=80, res=0.5, max_len=250, img_spec="std")
		features = featurizer.featurize(self.long_molecule_smiles)
		assert features.shape == (1, 0)