def test_to_mbuild_name_none(self):
top = Top()
top.add_site(Site())
top.name = None
compound = to_mbuild(top)
assert compound.name == 'Compound'
def test_full_conversion(self, ethane):
top = from_mbuild(ethane)
new = to_mbuild(top)
assert new.n_particles == 8
assert new.n_bonds == 7
def test_to_mbuild_name_none(self):
top = Top()
top.add_site(Atom(position=[0.0, 0.0, 0.0]))
top.name = None
compound = to_mbuild(top)
assert compound.name == "Compound"
def test_3_layer_top(self):
top_top = Top()
mid_top = SubTop()
site = Site()
top_top.add_subtopology(mid_top)
mid_top.add_site(site)
compound = to_mbuild(top_top)
assert len(compound.children) == 1
assert compound.children[0].n_particles == 1
assert compound.n_particles == 1