def test_returns_universe_with_single_trajectory(self):
path = "./files/bulk_water/classical"
universe_type = "positions"
pdb_prefix = "revPBE0-D3-w64-T300K-1bar"
mdanalysis_universe = utils.get_mdanalysis_universe(path, universe_type, pdb_prefix)
assert mdanalysis_universe.trajectory.n_frames == 106
def test_returns_universe_with_multiple_trajectory(self):
path = "./files/bulk_water/quantum"
universe_type = "positions"
pdb_prefix = "revPBE0-D3-w64-T300K-1bar"
mdanalysis_universes = utils.get_mdanalysis_universe(path, universe_type, pdb_prefix)
assert len(mdanalysis_universes) == 5
def test_raises_error_when_unknown_universe_type(self):
path = "./files/bulk_water/classical"
universe_type = "banana"
with pytest.raises(utils.UndefinedOption):
utils.get_mdanalysis_universe(path, universe_type)