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Operate on a copy of the system to avoid breaking later test.
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lohedges committed Sep 22, 2023
1 parent 691ad64 commit c74693a
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Showing 2 changed files with 6 additions and 0 deletions.
3 changes: 3 additions & 0 deletions tests/Sandpit/Exscientia/_SireWrappers/test_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -265,6 +265,9 @@ def test_get_box(system):


def test_set_box(system):
# Make a copy of the system.
system = system.copy()

# Generate box dimensions and angles for a truncated octahedron.
box, angles = BSS.Box.truncatedOctahedron(30 * BSS.Units.Length.angstrom)

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3 changes: 3 additions & 0 deletions tests/_SireWrappers/test_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -268,6 +268,9 @@ def test_set_box(system):
# Generate box dimensions and angles for a truncated octahedron.
box, angles = BSS.Box.truncatedOctahedron(30 * BSS.Units.Length.angstrom)

# Make a copy of the system.
system = system.copy()

# Set the box dimensions in the system.
system.setBox(box, angles)

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