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Update test_align.py
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fixing PEP
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talagayev authored Oct 18, 2024
1 parent 1733414 commit d982d69
Showing 1 changed file with 12 additions and 4 deletions.
16 changes: 12 additions & 4 deletions testsuite/MDAnalysisTests/analysis/test_align.py
Original file line number Diff line number Diff line change
Expand Up @@ -244,10 +244,14 @@ def test_AlignTraj_outfile_default(self, universe, reference, tmpdir):
finally:
x._writer.close()

def test_AlignTraj_outfile_default_exists(self, universe, reference, tmpdir, client_AlignTraj):
def test_AlignTraj_outfile_default_exists(
self, universe, reference, tmpdir, client_AlignTraj
):
reference.trajectory[-1]
outfile = str(tmpdir.join('align_test.dcd'))
align.AlignTraj(universe, reference, filename=outfile).run(**client_AlignTraj)
align.AlignTraj(universe, reference, filename=outfile).run(
**client_AlignTraj
)
fitted = mda.Universe(PSF, outfile)

# ensure default file exists
Expand All @@ -262,11 +266,15 @@ def test_AlignTraj_outfile_default_exists(self, universe, reference, tmpdir, cli
with pytest.raises(IOError):
align.AlignTraj(fitted, reference, force=False)

def test_AlignTraj_step_works(self, universe, reference, tmpdir, client_AlignTraj):
def test_AlignTraj_step_works(
self, universe, reference, tmpdir, client_AlignTraj
):
reference.trajectory[-1]
outfile = str(tmpdir.join('align_test.dcd'))
# this shouldn't throw an exception
align.AlignTraj(universe, reference, filename=outfile).run(step=10, **client_AlignTraj)
align.AlignTraj(universe, reference, filename=outfile).run(
step=10, **client_AlignTraj
)

def test_AlignTraj_deprecated_attribute(self, universe, reference, tmpdir, client_AlignTraj):
reference.trajectory[-1]
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