def _alcohol(oxygen, hydrogen, atom):
bonders = (oxygen, )
deleters = (hydrogen, )
return GenericCaseData(
functional_group=stk.Alcohol(
oxygen=oxygen,
hydrogen=hydrogen,
atom=atom,
bonders=bonders,
deleters=deleters,
),
atoms=(oxygen, hydrogen, atom),
bonders=bonders,
deleters=deleters,
)
import pytest
from pytest_lazyfixture import lazy_fixture
import stk
# Fixtures need to visible for lazy_fixture() calls.
from .fixtures import * # noqa
@pytest.fixture(
params=(
stk.Alcohol(
oxygen=stk.O(1),
hydrogen=stk.H(2),
atom=stk.C(2),
bonders=(stk.C(2), ),
deleters=(stk.O(1), stk.H(2)),
),
stk.Aldehyde(
carbon=stk.C(0),
oxygen=stk.O(1),
hydrogen=stk.H(2),
atom=stk.C(3),
bonders=(stk.C(0), ),
deleters=(stk.O(1), ),
),
stk.Alkene(
carbon1=stk.C(1),
atom1=stk.C(2),
atom2=stk.C(3),
carbon2=stk.C(4),
atom3=stk.C(5),
sulfur=stk.S(5),
hydrogen=stk.H(10),
atom=stk.C(3),
bonders=(stk.C(4), ),
deleters=(stk.S(5), stk.H(10)),
),
),
),
lambda: CaseData(
factory=stk.AlcoholFactory(),
molecule=stk.BuildingBlock('OCCCO'),
functional_groups=(
stk.Alcohol(
oxygen=stk.O(0),
hydrogen=stk.H(5),
atom=stk.C(1),
bonders=(stk.O(0), ),
deleters=(stk.H(5), ),
),
stk.Alcohol(
oxygen=stk.O(4),
hydrogen=stk.H(12),
atom=stk.C(3),
bonders=(stk.O(4), ),
deleters=(stk.H(12), ),
),
),
),
lambda: CaseData(
factory=stk.ThiolFactory(),
molecule=stk.BuildingBlock('SCCCS'),