def test_independent_residues_molecules(): """Test to see that _check_independent_residues works for molecules.""" import mbuild.recipes butane = mbuild.recipes.Alkane(4) structure = butane.to_parmed() assert _check_independent_residues(structure) structure = butane.to_parmed(residues=['RES', 'CH3']) assert not _check_independent_residues(structure)
def test_independent_residues_molecules(): """Test to see that _check_independent_residues works for molecules.""" butane = Alkane(4) structure = butane.to_parmed() topo, NULL = generate_topology(structure) assert _check_independent_residues(topo) structure = butane.to_parmed(residues=['RES', 'CH3']) topo, NULL = generate_topology(structure) assert not _check_independent_residues(topo)
def test_independent_residues_atoms(): """Test to see that _check_independent_residues works for single aotms.""" import mbuild as mb argon = mb.Compound() argon.name = 'Ar' structure = argon.to_parmed() assert _check_independent_residues(structure)
def test_independent_residues_atoms(): """Test to see that _check_independent_residues works for single aotms.""" argon = mb.Compound() argon.name = 'Ar' structure = argon.to_parmed() topo, NULL = generate_topology(structure) assert _check_independent_residues(topo)