Returns connection table for a molecule.

mol_get_ct(mol, bond_orders)

Arguments

mol

molecule

bond_orders

whether to specify bond orders in connection table (1/0, default=0)

Value

Connection table

Examples

data("alkans74") mol <- alkans74.mdb[[1]] mol_get_ct(mol)
#> [,1] [,2] #> [1,] 0 1 #> [2,] 1 0