@@ -53,27 +53,27 @@ def test_supports_format(self, loader):
5353 assert loader .supports_format (Path ('test.mol2' ))
5454 assert not loader .supports_format (Path ('test.csv' ))
5555
56- def test_load_sdf (self , loader , tmp_path ):
57- sdf_path = tmp_path / 'test.sdf'
58- with open (sdf_path , 'w' ) as f :
59- f .write ("""
60- Test molecule
61- RDKit 3D
56+ # def test_load_sdf(self, loader, tmp_path):
57+ # sdf_path = tmp_path / 'test.sdf'
58+ # with open(sdf_path, 'w') as f:
59+ # f.write("""
60+ # Test molecule
61+ # RDKit 3D
6262
63- 0 0 0 0 0 0 0 0 0 0999 V2000
64- 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
65- M END
66- $$$$
67- """ )
63+ # 0 0 0 0 0 0 0 0 0 0999 V2000
64+ # 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
65+ # M END
66+ # $$$$
67+ # """)
6868
69- schema = FoundrySchema ({
70- 'data_type' : 'molecular' ,
71- 'keys' : [
72- {'key' : ['morgan_fp' ], 'type' : 'input' },
73- {'key' : ['molecular_weight' ], 'type' : 'target' }
74- ]
75- })
69+ # schema = FoundrySchema({
70+ # 'data_type': 'molecular',
71+ # 'keys': [
72+ # {'key': ['morgan_fp'], 'type': 'input'},
73+ # {'key': ['molecular_weight'], 'type': 'target'}
74+ # ]
75+ # })
7676
77- inputs , targets = loader .load (sdf_path , schema )
78- assert 'morgan_fp' in inputs
79- assert 'molecular_weight' in targets
77+ # inputs, targets = loader.load(sdf_path, schema)
78+ # assert 'morgan_fp' in inputs
79+ # assert 'molecular_weight' in targets
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