is.connected: Get the Largest Component in a Disconnected Molecule
Description
These methods allow one to check whether a molecule is fully connected or
else retrieve the largest disconnected component
Usage
get.largest.component(mol)
is.connected(mol)
Arguments
mol
A jObjRef representing an IAtomContainer object
Value
For get.largest.component, if the input molecule has more than one disconnected component, the
largest is returned. Otherwise, the molecule itself is returned.
For is.connected, TRUE if the molecule is fully connected, FALSE otherwise