guessBonds

fun Molecule.guessBonds(guesser: BondGuesser = BondGuesser(), searchDist: Double = 5.0): List<BondGuesser.Bond>

Attempts to guess where the bonds should be based on known elemental valences and covalent bond lengths.

Presents guessed bonds to the caller (rather than automatically adding them to the molecule), so the caller can decide what to do next.