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allow None for mappings in _create
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richardjgowers committed Jan 24, 2024
1 parent 818123b commit c1f73cc
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions openfe/tests/protocols/test_openmm_equil_rfe_protocols.py
Original file line number Diff line number Diff line change
Expand Up @@ -152,7 +152,7 @@ def test_create_independent_repeat_ids(benzene_system, toluene_system, benzene_t


@pytest.mark.parametrize('mapping', [
[], ['A', 'B'],
None, [], ['A', 'B'],
])
def test_validate_alchemical_components_wrong_mappings(mapping):
with pytest.raises(ValueError, match="A single LigandAtomMapping"):
Expand All @@ -166,7 +166,7 @@ def test_validate_alchemical_components_missing_alchem_comp(
alchem_comps = {'stateA': [openfe.SolventComponent(),], 'stateB': []}
with pytest.raises(ValueError, match="Unmapped alchemical component"):
_validate_alchemical_components(
alchem_comps, [benzene_to_toluene_mapping],
alchem_comps, benzene_to_toluene_mapping,
)


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