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add very simple basic test
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florian-huber committed Aug 18, 2023
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6 changes: 6 additions & 0 deletions tests/test_validation_and_test_split.py
Original file line number Diff line number Diff line change
Expand Up @@ -31,3 +31,9 @@ def test_select_spectra_belonging_to_inchikey(sample_spectra):
result = select_spectra_belonging_to_inchikey(sample_spectra, inchikeys)
assert len(result) == 3
assert result[0].get("inchikey") == 14 * "A"


def test_split_spectra_in_random_inchikey_sets(sample_spectra):
# TODO: this is still a dummy test mostly
val, test, train = split_spectra_in_random_inchikey_sets(sample_spectra, 2)
assert len(val) + len(test) + len(train) == 4

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