Debugging statements for docs (84cb54d7) · Commits · 钟慕尧 / deepchem

deepchem/feat/base_classes.py

+0 −2

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		@@ -71,8 +71,6 @@ class Featurizer(object):
		mols = list(mols)
		features = []
		for i, mol in enumerate(mols):
		if verbose and i % log_every_n == 0:
		log("Featurizing %d / %d" % (i, len(mols)))
		if mol is not None:
		features.append(self._featurize(mol))
		else:

+10 −7

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		echo '$TRAVIS_PULL_REQUEST $TRAVIS_BRANCH'
		echo $TRAVIS_PULL_REQUEST $TRAVIS_BRANCH

		if [[ "$TRAVIS_PULL_REQUEST" != "false" ]]; then
		echo "This is a pull request. No deployment will be done."; exit 0
		fi

		if [[ "$TRAVIS_BRANCH" != "master" ]]; then
		echo "No deployment on BRANCH='$TRAVIS_BRANCH'"; exit 0
		fi
		############################################################ DEBUG
		## TODO(rbharath): UNCOMMENT BEFORE MERGE!
		#if [[ "$TRAVIS_PULL_REQUEST" != "false" ]]; then
		# echo "This is a pull request. No deployment will be done."; exit 0
		#fi
		#
		#if [[ "$TRAVIS_BRANCH" != "master" ]]; then
		# echo "No deployment on BRANCH='$TRAVIS_BRANCH'"; exit 0
		#fi
		############################################################ DEBUG

		# Create the docs and push them to S3
		# -----------------------------------

+9 −0

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		@@ -23,10 +23,19 @@ guess_mime_type = True
		'''.format(**os.environ))
		f.flush()

		############################################################ DEBUG
		print("f.name")
		print(f.name)
		############################################################ DEBUG

		#s3cmd -M -H sync docs/_build/ s3://deepchem.io/
		template = ('s3cmd -M -H --config {config} '
		'sync docs/_build/ s3://{bucket}/')
		cmd = template.format(
		config=f.name,
		bucket=BUCKET_NAME)
		############################################################ DEBUG
		print("cmd")
		print(cmd)
		############################################################ DEBUG
		subprocess.call(cmd.split())

+1 −1

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		@@ -31,7 +31,7 @@ def load_bace(mode="regression", transform=True, split="20-80"):
		elif mode == "classification":
		bace_tasks = ["Class"]
		featurizer = dc.feat.UserDefinedFeaturizer(user_specified_features)
		loader = dc.data.DataLoader(
		loader = dc.data.UserCSVLoader(
		tasks=bace_tasks, smiles_field="mol", id_field="CID",
		featurizer=featurizer)
		dataset = loader.featurize(dataset_file)

+1 −1

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		@@ -443,7 +443,7 @@ if __name__ == '__main__':
		parser.add_argument('-m', action='append', dest='model_args', default=[],
		help='Choice of model: tf, tf_robust, logreg, graphconv')
		parser.add_argument('-d', action='append', dest='dataset_args', default=[],
		help='Choice of dataset: tox21, sider, muv, toxcast, pcba')
		help='Choice of dataset: tox21, sider, muv, toxcast, pcba, kaggle, delaney')
		args = parser.parse_args()
		#Datasets and models used in the benchmark test
		splitters = args.splitter_args