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relax sasa test accuracy for windows builds
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stefdoerr committed Dec 10, 2024
1 parent a141ff0 commit ef6a56e
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions moleculekit/projections/metricsasa.py
Original file line number Diff line number Diff line change
Expand Up @@ -261,15 +261,15 @@ def test_selection_and_filtering(self):
) # Get just the SASA of the 20th atom
sasaA = metr.project(self.mol.copy())
assert np.allclose(
sasaA, sasaA_ref[:, [20]], atol=3e-3
sasaA, sasaA_ref[:, [20]], atol=1e-2
), "SASA atom selection failed to give same results as without selection"

metr = MetricSasa(
mode="atom", sel="index 20", filtersel="index 20"
) # Get just the SASA of the 20th atom, remove all else
sasaA = metr.project(self.mol.copy())
assert not np.allclose(
sasaA, sasaA_ref[:, [20]], atol=3e-3
sasaA, sasaA_ref[:, [20]], atol=1e-2
), "SASA filtering gave same results as without filtering. Bad."

def test_mappings(self):
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