Re: [Cdk-user] layout disconnected structures in 1 AtomContainer

[<ra...@ar...>]

On Fri, Nov 09, 2012 at 11:34:18AM +0100, Egon Willighagen wrote:
> The ConnectivityTool can be used to split disconnected structures into
> a list of "molecules".
> 
> Because some discussion in the bug tracker came up around this too,
> let's set some definitions.
> A 'molecule' is a chemical graph, where each atom can be reached from
> another atom via one or more bonds.
> A salt is a disconnected structure, consisting of two or more 'molecules'.

You would then have to add that the above defined molecule has
nothing to do with CDK's Molecule class which is, fortunately for
your definition, phased out.