From f85ef4f813bc80f9fb5dd7f1542c515249d015ec Mon Sep 17 00:00:00 2001 From: florian-huber Date: Fri, 18 Aug 2023 16:25:52 +0200 Subject: [PATCH] add very simple basic test --- tests/test_validation_and_test_split.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/tests/test_validation_and_test_split.py b/tests/test_validation_and_test_split.py index c1d37fab..62f6d542 100644 --- a/tests/test_validation_and_test_split.py +++ b/tests/test_validation_and_test_split.py @@ -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