def test_lookup_role_fail_name(basis_name):
"""Test get_basis with bad versions """
with pytest.raises(KeyError, match=r'Basis set.*does not exist'):
bse.lookup_basis_by_role(basis_name, 'rifit')
def test_lookup_role_fail_role(role):
"""Test get_basis with bad role """
with pytest.raises(RuntimeError,
match=r'Role.*(not a valid role|exist for)'):
bse.lookup_basis_by_role('def2-tzvp', role)
def test_lookup_by_role(primary_basis, role, expected):
"""Test looking up data by role
"""
bs = bse.lookup_basis_by_role(primary_basis, role)
assert bs.lower() == expected.lower()