fix STEREO indent, typo (140761dd) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/uspto_datasets.py

+20 −21

Original line number	Diff line number	Diff line
		"""
		Loads synthetic reaction datasets from USPTO.

		This file contains loaders for synthetic reaction datasets from the US Patenent Office. http://nextmovesoftware.com/blog/2014/02/27/unleashing-over-a-million-reactions-into-the-wild/.
		This file contains loaders for synthetic reaction datasets from the US Patent Office. http://nextmovesoftware.com/blog/2014/02/27/unleashing-over-a-million-reactions-into-the-wild/.
		"""
		import os
		import logging
		@@ -34,7 +34,7 @@ class _USPTOLoader(_MolnetLoader):
		self.name = 'USPTO_' + subset

		def create_dataset(self) -> Tuple[Dataset, ...]:
		#####INCOMPLETE/INCORRECT: I don'd think this is the right way to bypass the splitter!
		#####INCOMPLETE/INCORRECT: I don't think this is the right way to bypass the splitter!
		if self.subset not in ['MIT', 'STEREO']:
		raise ValueError("Valid Subset names are MIT and STEREO.")

		@@ -44,7 +44,6 @@ class _USPTOLoader(_MolnetLoader):
		valid_file = os.path.join(self.data_dir, USPTO_MIT_VALID)

		if not os.path.exists(train_file):

		logger.info("Downloading training file...")
		dc.utils.data_utils.download_url(
		url=USPTO_MIT_TRAIN, dest_dir=self.data_dir)
		@@ -59,13 +58,13 @@ class _USPTOLoader(_MolnetLoader):
		dc.utils.data_utils.download_url(
		url=USPTO_MIT_VALID, dest_dir=self.data_dir)
		logger.info("Validation file download complete.")

		if self.subset == 'STEREO':
		train_file = os.path.join(self.data_dir, USPTO_STEREO_TRAIN)
		test_file = os.path.join(self.data_dir, USPTO_STEREO_TEST)
		valid_file = os.path.join(self.data_dir, USPTO_STEREO_VALID)

		if not os.path.exists(train_file):

		logger.info("Downloading training file...")
		dc.utils.data_utils.download_url(
		url=USPTO_STEREO_TRAIN, dest_dir=self.data_dir)

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