Skip to content

Commit 47e6772

Browse files
committed
Duplicate parameterised merge test in sandpit.
1 parent 9c880ba commit 47e6772

1 file changed

Lines changed: 18 additions & 4 deletions

File tree

tests/Sandpit/Exscientia/Align/test_align.py

Lines changed: 18 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -122,10 +122,24 @@ def test_propane_butane_1_4(propane_butane, tmp_path_factory):
122122
assert n_nb == 33
123123

124124

125-
def test_merge():
126-
# Load the ligands.
127-
s0 = BSS.IO.readMolecules([f"{url}/ligand31.prm7.bz2", f"{url}/ligand31.rst7.bz2"])
128-
s1 = BSS.IO.readMolecules([f"{url}/ligand38.prm7.bz2", f"{url}/ligand38.rst7.bz2"])
125+
@pytest.mark.parametrize(
126+
"s0_files,s1_files",
127+
[
128+
(
129+
[f"{url}/ligand31.prm7.bz2", f"{url}/ligand31.rst7.bz2"],
130+
[f"{url}/ligand38.prm7.bz2", f"{url}/ligand38.rst7.bz2"],
131+
),
132+
pytest.param(
133+
[f"{url}/glycam_M5.gro.bz2", f"{url}/glycam_M5.top.bz2"],
134+
[f"{url}/glycam_M5G0.gro.bz2", f"{url}/glycam_M5G0.top.bz2"],
135+
marks=pytest.mark.slow,
136+
),
137+
],
138+
)
139+
def test_merge(s0_files, s1_files):
140+
# Load the molecules.
141+
s0 = BSS.IO.readMolecules(s0_files)
142+
s1 = BSS.IO.readMolecules(s1_files)
129143

130144
# Extract the molecules.
131145
m0 = s0.getMolecules()[0]

0 commit comments

Comments
 (0)