Returns connection table for a molecule.
mol_get_ct(mol, bond_orders)
mol | molecule |
---|---|
bond_orders | whether to specify bond orders in connection table (1/0, default=0) |
Connection table
data("alkans74") mol <- alkans74.mdb[[1]] mol_get_ct(mol)#> [,1] [,2] #> [1,] 0 1 #> [2,] 1 0