Add tests for get_defaults (3eb87363) · Commits · 钟慕尧 / deepchem

deepchem/molnet/defaults.py

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -7,7 +7,7 @@ import importlib
	import inspect		import inspect
	import logging		import logging
	import json		import json
	from typing import Dict, List		from typing import Dict, List, Any

	from deepchem.feat.base_classes import Featurizer		from deepchem.feat.base_classes import Featurizer
	from deepchem.trans.transformers import Transformer		from deepchem.trans.transformers import Transformer
	@@ -16,7 +16,7 @@ from deepchem.splits.splitters import Splitter
	logger = logging.getLogger(__name__)		logger = logging.getLogger(__name__)


	def get_defaults(module_name: str = None) -> Dict[str, object]:		def get_defaults(module_name: str = None) -> Dict[str, Any]:
	"""Get featurizers, transformers, and splitters.		"""Get featurizers, transformers, and splitters.

	This function returns a dictionary with class names as keys and classes		This function returns a dictionary with class names as keys and classes

deepchem/molnet/load_function/load_dataset_template.py

+11 −3

Original line number	Original line	Diff line number	Diff line
	@@ -18,15 +18,23 @@ MYDATASET_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/
	MYDATASET_CSV_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/mydataset.csv'		MYDATASET_CSV_URL = 'http://deepchem.io.s3-website-us-west-1.amazonaws.com/datasets/mydataset.csv'

	# dict of accepted featurizers for this dataset		# dict of accepted featurizers for this dataset
	# modify the returned dicts your dataset		# modify the returned dicts for your dataset
	DEFAULT_FEATURIZERS = get_defaults("feat")		DEFAULT_FEATURIZERS = get_defaults("feat")

			# Names of supported featurizers
			mydataset_featurizers = ['Featurizer1', 'Featurizer2', 'Featurizer3']
			DEFAULT_FEATURIZERS = {k: DEFAULT_FEATURIZERS[k] for k in mydataset_featurizers}

	# dict of accepted transformers		# dict of accepted transformers
	DEFAULT_TRANSFORMERS = get_defaults("trans")		DEFAULT_TRANSFORMERS = get_defaults("trans")

	# dict of accepted splitters		# dict of accepted splitters
	DEFAULT_SPLITTERS = get_defaults("split")		DEFAULT_SPLITTERS = get_defaults("split")

			# names of supported splitters
			mydataset_splitters = ['Splitter1', 'Splitter2', 'Splitter3']
			DEFAULT_SPLITTERS = {k: DEFAULT_SPLITTERS[k] for k in mydataset_splitters}


	def load_mydataset(		def load_mydataset(
	featurizer: Featurizer = DEFAULT_FEATURIZERS['RawFeaturizer'],		featurizer: Featurizer = DEFAULT_FEATURIZERS['RawFeaturizer'],
	@@ -203,9 +211,9 @@ def load_mydataset(

	# Initialize transformers		# Initialize transformers
	transformers = [		transformers = [
	DEFAULT_TRANSFORMERS[t](dataset, **transformer_kwargs[t])		DEFAULT_TRANSFORMERS[t](dataset=dataset, **transformer_kwargs[t])
	if isinstance(t, str) else t(		if isinstance(t, str) else t(
	dataset, **transformer_kwargs[str(t.__class__.__name__)])		dataset=dataset, **transformer_kwargs[str(t.__class__.__name__)])
	for t in transformers		for t in transformers
	]		]

deepchem/molnet/tests/test_defaults.py

0 → 100644

+40 −0

Original line number	Original line	Diff line number	Diff line
			"""
			Tests for getting featurizer, transformer, and splitter classes.
			"""
			import csv
			import tempfile
			import unittest

			import numpy as np
			import os
			import pytest

			import deepchem as dc
			from deepchem.feat.base_classes import Featurizer
			from deepchem.trans.transformers import Transformer
			from deepchem.splits.splitters import Splitter
			from deepchem.molnet.defaults import get_defaults


			class TestDefaults(unittest.TestCase):
			"""
			Tests for getting featurizer, transformer, and splitter classes.
			"""

			def test_defaults(self):
			"""Test getting defaults for MolNet loaders."""
			feats = get_defaults("feat")
			trans = get_defaults("trans")
			splits = get_defaults("splits")

			fkey = next(iter(feats))
			assert type(fkey) == str
			assert issubclass(feats[fkey], Featurizer)

			tkey = next(iter(trans))
			assert type(tkey) == str
			assert issubclass(trans[tkey], Transformer)

			skey = next(iter(splits))
			assert type(skey) == str
			assert issubclass(splits[skey], Splitter)

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