def _alkene(carbon1, atom1, atom2, carbon2, atom3, atom4):
bonders = (carbon2, )
deleters = (carbon1, atom1, atom2)
return GenericCaseData(
functional_group=stk.Alkene(
carbon1=carbon1,
atom1=atom1,
atom2=atom2,
carbon2=carbon2,
atom3=atom3,
atom4=atom4,
bonders=bonders,
deleters=deleters,
),
atoms=(carbon1, atom1, atom2, carbon2, atom3, atom4),
bonders=bonders,
deleters=deleters,
)
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),
atom1=stk.C(1),
carbon2=stk.C(2),
atom2=stk.H(3),
bonders=(stk.C(0), ),
deleters=(stk.C(2), stk.H(3)),
),
stk.Amide(
carbon=stk.C(0),
oxygen=stk.O(1),
atom2=stk.C(2),
bonders=(stk.C(1), ),
deleters=(
stk.C(0),
stk.H(5),
),
), ),
),
lambda: CaseData(
factory=stk.TerminalAlkeneFactory(),
molecule=stk.BuildingBlock('C=CC=CC'),
functional_groups=(stk.Alkene(
carbon1=stk.C(0),
carbon2=stk.C(1),
atom1=stk.H(5),
atom2=stk.H(6),
atom3=stk.C(2),
atom4=stk.H(7),
bonders=(stk.C(1), ),
deleters=(stk.C(0), stk.H(5), stk.H(6)),
), ),
),
lambda: CaseData(
factory=stk.BoronicAcidFactory(),
molecule=stk.BuildingBlock('B(O)(O)CCB(O)O'),
functional_groups=(
stk.BoronicAcid(
boron=stk.B(0),
oxygen1=stk.O(1),
oxygen2=stk.O(2),
hydrogen1=stk.H(8),
hydrogen2=stk.H(9),
bonders=(stk.C(2), ),
deleters=(stk.O(0), stk.H(1)),
),
lambda: 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),),
),
lambda: stk.Alkene(
carbon1=stk.C(0),
atom1=stk.H(1),
atom2=stk.H(2),
carbon2=stk.C(3),
atom3=stk.C(4),
atom4=stk.H(5),
bonders=(stk.C(4),),
deleters=(stk.C(0), stk.H(1), stk.H(2)),
),
lambda: stk.Alkyne(
carbon1=stk.C(0),
atom1=stk.H(1),
carbon2=stk.C(2),
atom2=stk.C(3),
bonders=(stk.C(2),),
deleters=(stk.C(0), stk.H(1)),
),
lambda: stk.Amide(
carbon=stk.C(0),
oxygen=stk.O(1),