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Add test to cover unit conversion path in DMSReader #5180

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tani-dubey wants to merge 5 commits into from
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Add test to cover unit conversion path in DMSReader #5180

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d572f50
Add test to exercise unit conversion path in DMSReader
tani-dubey Dec 18, 2025
0a67724
Black-File Reformatted
tani-dubey Dec 18, 2025
0ed646c
Improved test to check unit-conversions
tani-dubey Jan 5, 2026
6ca04dc
Removed rtol and added comment
tani-dubey Jan 16, 2026
7882b3b
Resolved Black error
tani-dubey Jan 16, 2026
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10 changes: 10 additions & 0 deletions testsuite/MDAnalysisTests/coordinates/test_dms.py
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Original file line number Diff line number Diff line change
Expand Up @@ -93,3 +93,13 @@ def test_frame_index_0(self, universe):
def test_frame_index_1_raises_IndexError(self, universe):
with pytest.raises(IndexError):
universe.trajectory[1]

def test_convert_pos_from_native(self):
u_native = mda.Universe(DMS, convert_units=False)
u_conv = mda.Universe(DMS, convert_units=True)

np.testing.assert_allclose(
u_conv.atoms.positions,
u_native.atoms.positions,
rtol=1e-6,
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@RMeli RMeli Jan 15, 2026 •
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Does the default rtol fails here?

Maybe also worth adding a comment that we expect this to be the same since DMS and MDAnalysis use the same units?

)
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