getLigand()

Currently, MolAtom.getLigand() is inherited from CNode, and it always returns a CNode, and if you want the MolAtom, you have to cast it back. It's counterintuitive. I suggest that MolAtom contain a getLigand() method that returns a MolAtom and overrides CNode.getLigand().





I also suggest a MolAtom.getLigands() method that returns a MolAtom[] array of all the atoms attached to the MolAtom instance. You could do the same in CNode.





Obviously there are ways of getting these values already, but these methods would add convenience.

Dear Bob!





We are discussing about the API changes you have explained. We will inform you about our decisions and about the scheduled release in which the new functions will be available.





Best regards,


Istvan

It was implemented in 2010. I am closing this forum.  :-)