> On 30. Oct 2018, at 17:15, John Mayfield <john.wilkinson...@gmail.com> wrote: > > 2) Looks like a bug, but you really really really should not be using clone.
You also say that in https://github.com/cdk/cdk/wiki/AtomContainer2, which is a great guidance, apart from indicating alternatives cloning for the less enlightened :) The only alternative to cloning is to write code which comes down to a custom clone method, or not? i.e. you create a new AtomContainer and copy over the objects that you need for your algorithm, by, say, instantiating new atoms with identical properties, and adding them to the AC. Is your argument that clone does a lot more work than one might need in one's specific case? Kind regards, Chris — Prof. Dr. Christoph Steinbeck Analytical Chemistry - Cheminformatics and Chemometrics Friedrich-Schiller-University Jena, Germany Phone Secretariat: +49-3641-948171 http://cheminf.uni-jena.de http://orcid.org/0000-0001-6966-0814 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
