Skip to content

Commit

Permalink
fix failing tests
Browse files Browse the repository at this point in the history
  • Loading branch information
chrisjonesBSU committed May 29, 2024
1 parent 6531cf4 commit 61370b7
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions mbuild/tests/test_compound.py
Original file line number Diff line number Diff line change
Expand Up @@ -634,7 +634,7 @@ def test_mass_property(self, h2o):

assert np.allclose(h2o.mass, 18.015, atol=1e-5)

system = mb.fill_box(compound=h2o, n_compounds=5, box=[0.5, 0.5, 0.5])
system = mb.fill_box(compound=h2o, n_compounds=5, box=[2, 2, 2], seed=32)
assert np.allclose(system.mass, 5 * h2o.mass, atol=1e-5)

def test_mass_setter(self, ethane):
Expand Down Expand Up @@ -1471,11 +1471,11 @@ def test_fillbox_then_parmed(self):
box = Box.from_mins_maxs_angles(
mins=(2, 2, 2), maxs=(3, 3, 3), angles=(90.0, 90.0, 90.0)
)
bead_box = mb.fill_box(bead, 100, box=[2, 2, 2, 3, 3, 3])
bead_box = mb.fill_box(bead, 50, box=[2, 2, 2, 3, 3, 3], seed=32)
bead_box_in_pmd = bead_box.to_parmed(box=box)

assert isinstance(bead_box_in_pmd, pmd.Structure)
assert len(bead_box_in_pmd.atoms) == 100
assert len(bead_box_in_pmd.atoms) == 50
assert (
bead_box_in_pmd.box
== np.array([10.0, 10.0, 10.0, 90.0, 90.0, 90.0])
Expand Down

0 comments on commit 61370b7

Please sign in to comment.