The GetAtom
and GetBond
function return a pointer to a single
OEAtomBase or OEBondBase. The pointer returned is the first instance in
the molecule of and atom or bond for which the predicate function
(vida infra) passed into these functions as an argument returns
true
.
Thus mol.GetBond(HasOrder(2))
will return a pointer to the first
double-bond in the molecule.