fixing test imports (c2a674b7) · Commits · 钟慕尧 / deepchem

deepchem/models/tests/test_attentivefp.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -5,13 +5,13 @@ import numpy as np

		import deepchem as dc
		from deepchem.feat import MolGraphConvFeaturizer
		from deepchem.models import AttentiveFPModel
		from deepchem.models.tests.test_graph_models import get_dataset

		try:
		import dgl
		import dgllife
		import torch
		from deepchem.models import AttentiveFPModel
		has_torch_and_dgl = True
		except:
		has_torch_and_dgl = False

deepchem/models/tests/test_cgcnn.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -7,11 +7,11 @@ import numpy as np
		from deepchem.feat import CGCNNFeaturizer
		from deepchem.molnet import load_perovskite, load_mp_metallicity
		from deepchem.metrics import Metric, mae_score, roc_auc_score
		from deepchem.models import CGCNNModel

		try:
		import dgl # noqa
		import torch # noqa
		from deepchem.models import CGCNNModel
		has_pytorch_and_dgl = True
		except:
		has_pytorch_and_dgl = False

deepchem/models/tests/test_gat.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -4,7 +4,6 @@ import tempfile
		import numpy as np

		import deepchem as dc
		from deepchem.feat import MolGraphConvFeaturizer
		from deepchem.models import GATModel
		from deepchem.models.tests.test_graph_models import get_dataset

		@@ -12,6 +11,7 @@ try:
		import dgl
		import dgllife
		import torch
		from deepchem.feat import MolGraphConvFeaturizer
		has_torch_and_dgl = True
		except:
		has_torch_and_dgl = False

deepchem/models/tests/test_gbdt_model.py

+23 −3

Original line number	Diff line number	Diff line
		@@ -3,16 +3,22 @@ Tests to make sure deepchem models can fit models on easy datasets.
		"""

		import tempfile

		import unittest
		import numpy as np
		import xgboost
		import lightgbm
		from sklearn.datasets import load_diabetes, load_digits
		from sklearn.model_selection import train_test_split
		try:
		import xgboost
		import lightgbm
		has_xgboost_and_lightgbm = True
		except:
		has_xgboost_and_lightgbm = False

		import deepchem as dc


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_singletask_regression_with_xgboost():
		np.random.seed(123)

		@@ -41,6 +47,8 @@ def test_singletask_regression_with_xgboost():
		assert scores[regression_metric.name] < 55


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_singletask_regression_with_lightgbm():
		np.random.seed(123)

		@@ -69,6 +77,8 @@ def test_singletask_regression_with_lightgbm():
		assert scores[regression_metric.name] < 55


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_multitask_regression_with_xgboost():
		np.random.seed(123)

		@@ -104,6 +114,8 @@ def test_multitask_regression_with_xgboost():
		assert score < 55


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_multitask_regression_with_lightgbm():
		np.random.seed(123)

		@@ -139,6 +151,8 @@ def test_multitask_regression_with_lightgbm():
		assert score < 55


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_classification_with_xgboost():
		"""Test that sklearn models can learn on simple classification datasets."""
		np.random.seed(123)
		@@ -167,6 +181,8 @@ def test_classification_with_xgboost():
		assert scores[classification_metric.name] > .9


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_classification_with_lightgbm():
		"""Test that sklearn models can learn on simple classification datasets."""
		np.random.seed(123)
		@@ -195,6 +211,8 @@ def test_classification_with_lightgbm():
		assert scores[classification_metric.name] > .9


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_reload_with_xgboost():
		np.random.seed(123)

		@@ -231,6 +249,8 @@ def test_reload_with_xgboost():
		assert scores[regression_metric.name] < 55


		@unittest.skipIf(not has_xgboost_and_lightgbm,
		'xgboost or lightgbm are not installed')
		def test_reload_with_lightgbm():
		np.random.seed(123)

deepchem/models/tests/test_gcn.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -5,13 +5,13 @@ import numpy as np

		import deepchem as dc
		from deepchem.feat import MolGraphConvFeaturizer
		from deepchem.models import GCNModel
		from deepchem.models.tests.test_graph_models import get_dataset

		try:
		import dgl
		import dgllife
		import torch
		from deepchem.models import GCNModel
		has_torch_and_dgl = True
		except:
		has_torch_and_dgl = False

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