John, Egon, and me seem to have come to an optimal solution regarding a long-standing issue, i.e., why the user has to call isConnected (doing an unnecessary graph walk) and then partitionIntoMolecules() to separate parts of a Smiles molecule, when the parts could be easily gotten from the parser itself. There will soon be an additional accessor to the parser returning an AtomContainerSet. This will also make it easy to enable display disconnected Smiles in JCP. (It wasn't difficult before, it just wasn't implemented)
Since this also concerns a user's request, I have set Cc accordingly. Regards, Ralf Stephan ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
