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chrisjonesBSU
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use more reasonable lengths for sidemax test
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mbuild/tests/test_packing.py

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -575,9 +575,9 @@ def test_sidemax(self):
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576576
ch4 = Methane()
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# With default sidemax
578-
box_of_methane = mb.fill_box(ch4, box=[1000, 1000, 1000], n_compounds=500)
578+
box_of_methane = mb.fill_box(ch4, box=[500, 500, 500], n_compounds=500)
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sphere_of_methane = mb.fill_sphere(
580-
ch4, sphere=[1000, 1000, 1000, 1000], n_compounds=500
580+
ch4, sphere=[500, 500, 500, 500], n_compounds=500
581581
)
582582
assert all(
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np.asarray(box_of_methane.get_boundingbox().lengths) < [110, 110, 110]
@@ -588,21 +588,21 @@ def test_sidemax(self):
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589589
# With adjusted sidemax
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big_box_of_methane = mb.fill_box(
591-
ch4, box=[1000, 1000, 1000], n_compounds=500, sidemax=1000.0
591+
ch4, box=[100, 100, 100], n_compounds=500, sidemax=200.0
592592
)
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big_sphere_of_methane = mb.fill_sphere(
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ch4,
595-
sphere=[1000, 1000, 1000, 1000],
595+
sphere=[100, 100, 100, 100],
596596
n_compounds=500,
597-
sidemax=2000.0,
597+
sidemax=200.0,
598598
)
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600600
assert all(
601-
np.asarray(big_box_of_methane.get_boundingbox().lengths) > [900, 900, 900]
601+
np.asarray(big_box_of_methane.get_boundingbox().lengths) > [90, 90, 90]
602602
)
603603
assert all(
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np.asarray(big_sphere_of_methane.get_boundingbox().lengths)
605-
> [1800, 1800, 1800]
605+
> [180, 180, 180]
606606
)
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608608
def test_box_edge(self, h2o, methane):

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