Chemistry::OpenSMILES::Aromaticity - Aromaticity handling routines
Chemistry::OpenSMILES::Aromaticity encodes some aromaticity handling subroutines
for aromatisation and kekulisation. Both implementations are experimental,
handle only some specific cases and are neither stable nor bug-free, thus
should be used with caution.
- aromatise( $moiety )
- Mark electron cycles as aromatic.
- kekulise( $moiety )
- Find nonfused even-length aromatic cycles consisting only
of B, C, N, P, S and mark them with aliterating single and double
bonds.
- electron_cycles( $moiety )
- Find electron cycles according to "Finding Electron
Cycles" algorithm from
<https://depth-first.com/articles/2021/06/30/writing-aromatic-smiles/>.
Use with caution: the implementation is experimental.