def _fluoro(fluorine, atom):
bonders = (atom, )
deleters = (fluorine, )
return GenericCaseData(
functional_group=stk.Fluoro(
fluorine=fluorine,
atom=atom,
bonders=bonders,
deleters=deleters,
),
atoms=(fluorine, atom),
bonders=bonders,
deleters=deleters,
)
atom=stk.C(1),
bonders=(stk.C(1), ),
deleters=(stk.Br(0), ),
),
stk.CarboxylicAcid(
carbon=stk.C(0),
oxygen1=stk.O(1),
oxygen2=stk.O(5),
hydrogen=stk.H(6),
atom=stk.C(8),
bonders=(stk.C(0), ),
deleters=(stk.O(5), stk.H(6)),
),
stk.Fluoro(
fluorine=stk.F(12),
atom=stk.C(2),
bonders=(stk.C(2), ),
deleters=(stk.F(12), ),
),
stk.Iodo(
iodine=stk.I(12),
atom=stk.C(0),
bonders=(stk.C(0), ),
deleters=(stk.I(12), ),
),
stk.PrimaryAmino(
nitrogen=stk.N(0),
hydrogen1=stk.H(2),
hydrogen2=stk.H(3),
atom=stk.C(4),
bonders=(stk.C(4), ),
deleters=(stk.N(0), stk.H(2), stk.H(3)),
stk.Thiol(
sulfur=stk.S(4),
hydrogen=stk.H(12),
atom=stk.C(3),
bonders=(stk.S(4), ),
deleters=(stk.H(12), ),
),
),
),
lambda: CaseData(
factory=stk.FluoroFactory(),
molecule=stk.BuildingBlock('FCC(F)CCF'),
functional_groups=(
stk.Fluoro(
fluorine=stk.F(0),
atom=stk.C(1),
bonders=(stk.C(1), ),
deleters=(stk.F(0), ),
),
stk.Fluoro(
fluorine=stk.F(3),
atom=stk.C(2),
bonders=(stk.C(2), ),
deleters=(stk.F(3), ),
),
stk.Fluoro(
fluorine=stk.F(6),
atom=stk.C(5),
bonders=(stk.C(5), ),
deleters=(stk.F(6), ),
),
),
bonders=(stk.C(1), ),
deleters=(stk.F(0), ),
),
lambda: stk.Diol(
atom1=stk.C(0),
oxygen1=stk.O(1),
hydrogen1=stk.H(2),
atom2=stk.C(3),
oxygen2=stk.O(4),
hydrogen2=stk.H(5),
bonders=(stk.C(0), ),
deleters=(stk.O(1), stk.H(2)),
),
lambda: stk.Fluoro(
fluorine=stk.F(1),
atom=stk.C(0),
bonders=(stk.C(0), ),
deleters=(stk.F(1), ),
),
lambda: stk.Iodo(
iodine=stk.I(0),
atom=stk.C(1),
bonders=(stk.C(1), ),
deleters=(stk.I(0), ),
),
lambda: stk.PrimaryAmino(
nitrogen=stk.N(0),
hydrogen1=stk.H(1),
hydrogen2=stk.H(2),
atom=stk.C(3),
bonders=(stk.C(3), ),
deleters=(stk.N(0), stk.H(1), stk.H(2)),),