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hmcezar committed Sep 21, 2023
1 parent 97b38ff commit 3f9a96d
Showing 1 changed file with 17 additions and 3 deletions.
20 changes: 17 additions & 3 deletions test/test_io.py
Original file line number Diff line number Diff line change
Expand Up @@ -114,7 +114,9 @@ def test_parse_args():


def test_configure_runtime(caplog):
clust_opt = configure_runtime(["test/ref/testtraj.xyz", "--min-rmsd", "1.0", "-np", "1"])
clust_opt = configure_runtime(
["test/ref/testtraj.xyz", "--min-rmsd", "1.0", "-np", "1"]
)

assert clust_opt.trajfile == "test/ref/testtraj.xyz"
assert clust_opt.min_rmsd == pytest.approx(1.0, abs=1e-8)
Expand All @@ -128,12 +130,24 @@ def test_configure_runtime(caplog):

with pytest.raises(SystemExit):
clust_opt = configure_runtime(
["test/ref/testtraj.xyz", "--min-rmsd", "1.0", "--reorder-alg", "nonexistent-method"]
[
"test/ref/testtraj.xyz",
"--min-rmsd",
"1.0",
"--reorder-alg",
"nonexistent-method",
]
)

with pytest.raises(SystemExit):
clust_opt = configure_runtime(
["test/ref/testtraj.xyz", "--min-rmsd", "1.0", "-cc", "nonexistent-extension"]
[
"test/ref/testtraj.xyz",
"--min-rmsd",
"1.0",
"-cc",
"nonexistent-extension",
]
)

with pytest.raises(SystemExit):
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