Skip to content

Commit

Permalink
fix packmol seed in failing gsd tests
Browse files Browse the repository at this point in the history
  • Loading branch information
chrisjonesBSU committed May 20, 2024
1 parent ce8074c commit dd50126
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions cmeutils/tests/test_gsd.py
Original file line number Diff line number Diff line change
Expand Up @@ -50,7 +50,7 @@ def test_ellipsoid_gsd(self, butane_gsd):
def test_create_rigid_snapshot(self):
benzene = mb.load("c1ccccc1", smiles=True)
benzene.name = "Benzene"
box = mb.fill_box(benzene, 5, box=[1, 1, 1])
box = mb.fill_box(benzene, 5, box=[3, 3, 3], seed=42)
box.label_rigid_bodies(discrete_bodies="Benzene")

rigid_init_snap = create_rigid_snapshot(box)
Expand All @@ -60,7 +60,7 @@ def test_create_rigid_snapshot(self):
def test_update_rigid_snapshot(self):
benzene = mb.load("c1ccccc1", smiles=True)
benzene.name = "Benzene"
box = mb.fill_box(benzene, 5, box=[1, 1, 1])
box = mb.fill_box(benzene, 5, box=[3, 3, 3], seed=42)
box.label_rigid_bodies(discrete_bodies="Benzene")

rigid_init_snap = create_rigid_snapshot(box)
Expand Down

0 comments on commit dd50126

Please sign in to comment.