def test_launch_user_json(self, capsys):
"""Test launch with JSON topology file."""
args = self.args.copy()
args["lipid_jsons"] = [str(PATH_ROOT_DATA / "Berger_POPC.json")]
UI.launch(**args)
captured = capsys.readouterr().out
assert "Results written to OP_buildH.out" in captured
def test_fails_launch_lipidtype(self, capsys):
"""Fail tests when passing a wrong lipid type."""
args = self.args.copy()
args["lipid_type"] = "PPHA"
with pytest.raises(BuildHError) as err:
UI.launch(**args)
assert err.type == BuildHError
assert "Lipid PPHA is not supported" in str(err.value)
def test_fail_launch_file(self):
"""Test fail launch with a non existant file."""
args = self.args.copy()
# Pass a string instead of a list
args["traj_file"] = "nofile.xtc"
with pytest.raises(FileNotFoundError) as err:
UI.launch(**args)
assert "nofile.xtc does not exist." in str(err.value)
def test_fail_launch_json(self):
"""Test fail launch with a wrong argument for JSON topology file."""
args = self.args.copy()
# Pass a string instead of a list
args["lipid_jsons"] = str(PATH_ROOT_DATA / "Berger_POPC.json")
with pytest.raises(TypeError) as err:
UI.launch(**args)
assert "a list is expected for argument 'lipid_jsons'" in str(
err.value)
def test_launch_traj(self, capsys):
"""Test launch with all trajectory arguments."""
args = self.args.copy()
args["traj_file"] = str(PATH_DATA / "2POPC.xtc")
args["out_file"] = "out.txt"
args["prefix_traj_ouput"] = "basename"
args["begin"] = 0
args["end"] = 10000
UI.launch(**args)
captured = capsys.readouterr().out
assert "Results written to out.txt" in captured
assert "Dealing with frame 10 at 10000.0 ps." in captured
assert "Writing new pdb with hydrogens." in captured
assert "Writing trajectory with hydrogens in xtc file." in captured
def test_launch_minimal(self, capsys):
"""Test launch with minimal arguments."""
UI.launch(**self.args)
captured = capsys.readouterr().out
assert "Results written to OP_buildH.out" in captured