The Structure#guess_bonds method is a complex method that does a ton of stuff, which was merged from several methods. We should split this into simpler methods, and keep #guess_bonds as the convenient helper:
class Chem::Structure
def guess_bonds : Nil
reset_bonds
guess_connectivity
guess_bond_orders
guess_formal_charges
end
end
Even more, this could be potentially moved to the Chem namespace.
The
Structure#guess_bonds
method is a complex method that does a ton of stuff, which was merged from several methods. We should split this into simpler methods, and keep#guess_bonds
as the convenient helper:Even more, this could be potentially moved to the
Chem
namespace.