Exemplos de ScorerCollection.load em Python

Exemplo n.º 1

def test_add_scorer_to_collection(default_config):
    collection = ScorerCollection(default_config)
    del collection["state score"]

    collection.load(StateScorer(default_config))

    assert "state score" in collection.names()

Exemplo n.º 2

def test_add_scorer_to_collection_no_scorer(default_config):
    collection = ScorerCollection(default_config)

    with pytest.raises(ScorerException):
        collection.load(Molecule(smiles="CCC"))