[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
This commit is contained in:
pre-commit-ci[bot]
2026-05-21 14:25:50 +00:00
parent 7f06c1cc54
commit f508d3442e

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@@ -1996,7 +1996,9 @@ def test_get_ion_parameters_fallback_to_forcefield(benzene_modifications):
with pytest.warns(UserWarning, match="No monovalent ion"):
ion_charge, ion_sigma, ion_epsilon = topologyhelpers._get_ion_parameters(
topology, system, charge_difference=1,
topology,
system,
charge_difference=1,
forcefield=system_generator.forcefield,
)
@@ -2012,9 +2014,7 @@ def test_get_water_parameters_bad_water(benzene_solvent_openmm_system):
errmsg = "Could not find water residue"
with pytest.raises(ValueError, match=errmsg):
topologyhelpers._get_water_parameters(
topology, system, water_resname="SOL"
)
topologyhelpers._get_water_parameters(topology, system, water_resname="SOL")
def test_get_alchemical_waters_no_waters(
@@ -2165,7 +2165,6 @@ def test_handle_alchemical_wats(
topology, system, charge_difference=1, forcefield=forcefield
)
charge, sigma, epsilon = nbf.getParticleParameters(24)
assert charge == 1.0 * omm_unit.elementary_charge == i_chg
assert sigma == i_sig