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Fixed testing bug (#94)
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Charlles Abreu authored Apr 20, 2024
1 parent 9775ac3 commit 6327c99
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions cvpack/tests/test_cvpack.py
Original file line number Diff line number Diff line change
Expand Up @@ -854,9 +854,9 @@ def get_movable_atoms(model, atom1, atom2):
z = -2 * sigma**2 * logsumexp(exponents)
value = path_cv.getValue(context)
if metric is cvpack.path.progress:
assert value / unit.dimensionless == pytest.approx(s, abs=1e-6)
assert value / unit.dimensionless == pytest.approx(s, rel=1e-3)
else:
assert value / unit.nanometer**2 == pytest.approx(z, abs=1e-6)
assert value / unit.nanometer**2 == pytest.approx(z, rel=1e-3)
perform_common_tests(path_cv, context)


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