get.largest.component: Gets the largest component in a disconnected molecular graph.
Description
A molecule may be represented as a
disconnected graph, such as
when read in as a salt form. This method will return the larges connected component
or if there is only a single component (i.e., the molecular graph is
complete or fully connected), that
component is returned.
Usage
get.largest.component(mol)
Value
The largest component as an `IAtomContainer` object or else the input molecule itself
Arguments
mol
The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`