Update test_fragment.py

globus-labs · Dec 4, 2023 · 6d89d86 · 6d89d86
1 parent c8e4b75
commit 6d89d86
Showing 1 changed file with 11 additions and 0 deletions.
diff --git 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)