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Unit test failed

See original GitHub issue
_________________________________________ test_get_molnet_bbbp_dataset_with_smiles _________________________________________

    def test_get_molnet_bbbp_dataset_with_smiles():
        # test default behavior
        pp = AtomicNumberPreprocessor()
        datasets = molnet.get_molnet_dataset('bbbp', preprocessor=pp,
        assert 'smiles' in datasets.keys()
        assert 'dataset' in datasets.keys()
        smileses = datasets['smiles']
        datasets = datasets['dataset']
        assert len(smileses) == 3
        assert len(datasets) == 3
        # Test each train, valid and test dataset
        for i, dataset in enumerate(datasets):
            # --- Test dataset is correctly obtained ---
            index = np.random.choice(len(dataset), None)
            atoms, label = dataset[index]
            assert atoms.ndim == 1  # (atom, )
            assert atoms.dtype == np.int32
            # (atom from, atom to) or (edge_type, atom from, atom to) assert label.ndim == 1
            assert label.shape[0] == 1
            assert label.dtype == np.int32
>           assert len(dataset) == expect_bbbp_lengths[i]
E           assert 1630 == 1631
E            +  where 1630 = len(<chainer_chemistry.datasets.numpy_tuple_dataset.NumpyTupleDataset object at 0x2b5c61c03d30>)

datasets_tests/molnet_tests/ AssertionError

Issue Analytics

  • State:closed
  • Created 5 years ago
  • Comments:11 (9 by maintainers)

github_iconTop GitHub Comments

delta2323commented, Jul 11, 2018

Good news. When we add the option here, too. The error disappears.

So, we can identify the cause was , which has been included in rdkit 2018.03.1

mottodoracommented, Jul 19, 2018

This problem is solved by #237 When you encounter same problem, please re-open issue.

Read more comments on GitHub >

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