Fixing move behavior to match expected. (58737439) · Commits · 钟慕尧 / deepchem

deepchem/data/datasets.py

+5 −1

Original line number	Diff line number	Diff line
		@@ -1290,7 +1290,11 @@ class DiskDataset(Dataset):
		if delete_if_exists and os.path.isdir(new_data_dir):
		shutil.rmtree(new_data_dir)
		shutil.move(self.data_dir, new_data_dir)
		self.data_dir = os.path.join(new_data_dir, os.path.basename(self.data_dir))
		if delete_if_exists:
		self.data_dir = new_data_dir
		else:
		self.data_dir = os.path.join(new_data_dir,
		os.path.basename(self.data_dir))

		def copy(self, new_data_dir: str) -> "DiskDataset":
		"""Copies dataset to new directory.

deepchem/utils/save.py

+51 −1

Original line number	Diff line number	Diff line
		@@ -347,7 +347,21 @@ def load_pickle_from_disk(filename):


		def load_dataset_from_disk(save_dir):
		"""
		"""Loads MoleculeNet train/valid/test/transformers from disk.

		Expects that data was saved using `save_dataset_to_disk` below. Expects the
		following directory structure for `save_dir`:

		save_dir/
		\|
		---> train_dir/
		\|
		---> valid_dir/
		\|
		---> test_dir/
		\|
		---> transformers.pkl

		Parameters
		----------
		save_dir: str
		@@ -361,6 +375,9 @@ def load_dataset_from_disk(save_dir):
		transformers: list of dc.trans.Transformer
		The transformers used for this dataset

		See Also
		--------
		save_dataset_to_disk
		"""

		train_dir = os.path.join(save_dir, "train_dir")
		@@ -381,6 +398,39 @@ def load_dataset_from_disk(save_dir):


		def save_dataset_to_disk(save_dir, train, valid, test, transformers):
		"""Utility used by MoleculeNet to save train/valid/test datasets.

		This utility function saves a train/valid/test split of a dataset along
		with transformers in the same directory. The saved datasets will take the
		following structure:

		save_dir/
		\|
		---> train_dir/
		\|
		---> valid_dir/
		\|
		---> test_dir/
		\|
		---> transformers.pkl

		Parameters
		----------
		save_dir: str
		Filename of directory to save datasets to.
		train: DiskDataset
		Training dataset to save.
		valid: DiskDataset
		Validation dataset to save.
		test: DiskDataset
		Test dataset to save.
		transformers: List
		List of transformers to save to disk.

		See Also
		--------
		load_dataset_from_disk
		"""
		train_dir = os.path.join(save_dir, "train_dir")
		valid_dir = os.path.join(save_dir, "valid_dir")
		test_dir = os.path.join(save_dir, "test_dir")

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