fit python 2 and doctests (d008c132) · Commits · 钟慕尧 / deepchem

deepchem/data/datasets.py

+6 −6

Original line number	Diff line number	Diff line
		@@ -200,8 +200,8 @@ class Dataset(object):
		>>> dataset = NumpyDataset(np.ones((2,2)))
		>>> for x, y, w, id in dataset.itersamples():
		... print(x.tolist(), y.tolist(), w.tolist(), id)
		[1.0 1.0] [0.0] [0.0] 0
		[1.0 1.0] [0.0] [0.0] 1
		[1.0, 1.0] [0.0] [0.0] 0
		[1.0, 1.0] [0.0] [0.0] 1
		"""
		raise NotImplementedError()

		@@ -409,8 +409,8 @@ class NumpyDataset(Dataset):
		>>> dataset = NumpyDataset(np.ones((2,2)))
		>>> for x, y, w, id in dataset.itersamples():
		... print(x.tolist(), y.tolist(), w.tolist(), id)
		[1.0 1.0] [0.0] [0.0] 0
		[1.0 1.0] [0.0] [0.0] 1
		[1.0, 1.0] [0.0] [0.0] 0
		[1.0, 1.0] [0.0] [0.0] 1
		"""
		n_samples = self._X.shape[0]
		return ((self._X[i], self._y[i], self._w[i], self._ids[i])
		@@ -889,8 +889,8 @@ class DiskDataset(Dataset):
		>>> dataset = DiskDataset.from_numpy(np.ones((2,2)), np.ones((2,1)), verbose=False)
		>>> for x, y, w, id in dataset.itersamples():
		... print(x.tolist(), y.tolist(), w.tolist(), id)
		[1.0 1.0] [0.0] [0.0] 0
		[1.0 1.0] [0.0] [0.0] 1
		[1.0, 1.0] [1.0] [1.0] 0
		[1.0, 1.0] [1.0] [1.0] 1
		"""

		def iterate(dataset):

+1 −1

Original line number	Diff line number	Diff line
		@@ -296,7 +296,7 @@ class ConvMolFeaturizer(Featurizer):
		self.dtype = object
		self.master_atom = master_atom
		self.use_chirality = use_chirality
		self.atom_properties = list(atom_properties)
		self.atom_properties = [str(x) for x in atom_properties]

		def _get_atom_properties(self, atom):
		"""