Exclude docking tests (4821053c) · Commits · 钟慕尧 / deepchem

deepchem/dock/tests/test_docking.py

+3 −0

Original line number	Diff line number	Diff line
		@@ -21,12 +21,14 @@ class TestDocking(unittest.TestCase):
		Does sanity checks on pose generation.
		"""

		@nottest
		def test_vina_grid_rf_docker_init(self):
		"""Test that VinaGridRFDocker can be initialized."""
		if sys.version_info >= (3, 0):
		return
		docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=False)

		@nottest
		def test_pocket_vina_grid_rf_docker_init(self):
		"""Test that VinaGridRFDocker w/pockets can be initialized."""
		if sys.version_info >= (3, 0):
		@@ -65,6 +67,7 @@ class TestDocking(unittest.TestCase):
		assert os.path.exists(protein_docked)
		assert os.path.exists(ligand_docked)

		@nottest
		def test_vina_grid_rf_docker_specified_pocket(self):
		"""Test that VinaGridRFDocker can dock into spec. pocket."""
		if sys.version_info >= (3, 0):