Example #1
0
def _aldehyde(carbon, oxygen, hydrogen, atom):
    bonders = (carbon, )
    deleters = (oxygen, )
    return GenericCaseData(
        functional_group=stk.Aldehyde(
            carbon=carbon,
            oxygen=oxygen,
            hydrogen=hydrogen,
            atom=atom,
            bonders=bonders,
            deleters=deleters,
        ),
        atoms=(carbon, oxygen, hydrogen, atom),
        bonders=bonders,
        deleters=deleters,
    )
Example #2
0
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),
            atom4=stk.C(6),
            bonders=(stk.C(1), ),
            deleters=(stk.C(5), stk.C(6)),
        ),
        stk.Alkyne(
            carbon1=stk.C(0),