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_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)
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)
