Merge remote-tracking branch 'upstream/master' (1dd7ec35) · Commits · 钟慕尧 / deepchem

.travis.yml

+3 −1

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		@@ -21,7 +21,9 @@ install:
		script:
		- nosetests --with-flaky -a '!slow' --with-timer --with-coverage --cover-package=deepchem
		-v deepchem --nologcapture
		- find ./deepchem \| grep .py$ \|xargs python -m doctest -v
		- if [ $TRAVIS_PYTHON_VERSION == '3.5']; then
		find ./deepchem \| grep .py$ \|xargs python -m doctest -v;
		fi
		- bash devtools/travis-ci/test_format_code.sh
		after_success:
		- echo $TRAVIS_SECURE_ENV_VARS

+1 −1

Original line number	Diff line number	Diff line
		@@ -7,7 +7,7 @@ from __future__ import unicode_literals

		__author__ = "Han Altae-Tran and Bharath Ramsundar"
		__copyright__ = "Copyright 2016, Stanford University"
		__license__ = "GPL"
		__license__ = "MIT"

		import warnings
		import os

+1 −1

Original line number	Diff line number	Diff line
		@@ -4,7 +4,7 @@ Imports all submodules
		from __future__ import division
		from __future__ import unicode_literals

		__version__ = '1.3.1'
		__version__ = '2.0.0'

		import deepchem.data
		import deepchem.feat

+9 −9

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		@@ -199,9 +199,9 @@ class Dataset(object):

		>>> dataset = NumpyDataset(np.ones((2,2)))
		>>> for x, y, w, id in dataset.itersamples():
		... print(x, y, w, id)
		[1. 1.] [0.] [0.] 0
		[1. 1.] [0.] [0.] 1
		... 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
		"""
		raise NotImplementedError()

		@@ -408,9 +408,9 @@ class NumpyDataset(Dataset):

		>>> dataset = NumpyDataset(np.ones((2,2)))
		>>> for x, y, w, id in dataset.itersamples():
		... print(x, y, w, id)
		[1. 1.] [0.] [0.] 0
		[1. 1.] [0.] [0.] 1
		... 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
		"""
		n_samples = self._X.shape[0]
		return ((self._X[i], self._y[i], self._w[i], self._ids[i])
		@@ -888,9 +888,9 @@ 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, y, w, id)
		[1. 1.] [1.] [1.] 0
		[1. 1.] [1.] [1.] 1
		... 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
		"""

		def iterate(dataset):

+1 −1

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		@@ -6,7 +6,7 @@ from __future__ import unicode_literals

		__author__ = "Joseph Gomes and Bharath Ramsundar"
		__copyright__ = "Copyright 2016, Stanford University"
		__license__ = "LGPL v2.1+"
		__license__ = "MIT"

		import numpy as np
		from deepchem.feat import Featurizer