Dear CDK users, as you might have noticed, the deterministic structure generator code has been removed from the current development trees for CDK 1.0.x and CDK trunk. An examination of the original code base showed that bugs recently reported by users have been present ever since development on the code finished. The lack of unit tests (or any test suite) obscures these shortcomings in the code. Effectively, it misses suitable chemical structures given the input elemental formula. We are grateful to the users who have done extensive testing of this module, and for reporting bug reports!
Attempts to fix the code have been (unfortunately) unsuccessful, and we do not have the resources at this moment to rewrite this piece of interesting and important functionality in the CDK. This leads to our regret, to have to remove the code from future releases, as the CDK project cannot reasonably support the code. Now, to address the introduction of unfinished and untested code into the main branch, the CDK project changed they development process. For a couple of months we have experimented with this (most prominently Miguel Rojas Cherto and I), with success. From now on, any new code is required to be well tested before entering trunk/, which requires at least full unit testing. Therefore, main development will now happen in branches, unless really trivial, and, before entering trunk/ an independent developer must approve (any developer will do), after announcing the code ready for including on the cdk-devel mailing. Users are, as always, most welcome to comment on our code, and this includes these development branches. Hoping to have clarified the removal of this code, and to ensure about our continued efforts to develop a functional *and* stable development kit, with kind regards, Egon Willighagen (Plant Research International, Wageningen University & Research Center, The Netherlands) Christoph Steinbeck (European Bioinformatics Institute, UK) Rajarshi Guha (Indiana University, US) ------------------------------------------------------------------------- Sponsored by: SourceForge.net Community Choice Awards: VOTE NOW! Studies have shown that voting for your favorite open source project, along with a healthy diet, reduces your potential for chronic lameness and boredom. Vote Now at http://www.sourceforge.net/community/cca08 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
