mol_get_ct {conmolfields}R Documentation

Return connection table for a molecule

Description

Returns connection table for a molecule.

Usage

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)

[Package conmolfields version 0.0-19 Index]