Hi Sebastian, On Fri, Apr 16, 2010 at 10:08 AM, Sebastian Wolf <sw...@ipb-halle.de> wrote: > I was wondering if the new CDK-Jchempaint 9 is able to render lone > pairs/radicals. I am using cdk 1.3.4 and tried to do the following code: > > List<IAtomContainerGenerator> generators = new > ArrayList<IAtomContainerGenerator>(); > generators.add(new BasicBondGenerator()); > generators.add(new BasicAtomGenerator()); > //this does not work because it implements IGenerator instead of > IAtomContainerGenerator
Oops... yeah, sorry about that. I 'cleaned up' the API in version 9 a bit, to have further distinguish between AtomContainer and Reaction rendering, making IGenerator a super interface giving access to the rendering parameters, so that the code no longer needed separate methods for generators... but it seems I have been somewhat careless with the patch... my apologies! > //generators.add(new LonePairGenerator()); That should do it, at least for the lone pairs. > Renderer renderer = new Renderer(generators, new AWTFontManager()); > > The renderer can only be instantiated using a list of > IAtomContainerGenerator. > > Am I doing something wrong here? No, this is a bug. I'll file it and fix in in version 10 of the patch. Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
