diff --git a/tests/test_fragment.py b/tests/test_fragment.py index 8b137891..2a1fae97 100644 --- a/tests/test_fragment.py +++ b/tests/test_fragment.py @@ -1 +1,12 @@ +@mark.parametrize('n_atoms', [3]) +@mark.parametrize('node', ['CuCu', 'ZnZn', 'ZnOZnZnZn']) +@mark.parametrize('n_samples', [1, 3]) +def test_sampling_num_atoms(n_atoms, node, n_samples): + run_generator(n_atoms=n_atoms, node=node, n_samples=n_samples) + +@mark.parametrize('nodes', [['CuCu'], ['CuCu', 'ZnZn']]) +def test_fragmentation(nodes): + # fragmentation(nodes) + # process_fragments(nodes) + fragment_mof_linkers(nodes)