Dear all, I'd just like to report you the test I made.
As I said, I'm working with JDK 1.7 and with CDK 1.4.9, I'm using the donwnloaded jar (looking inside it, it seems that the bytecode has been done with target JDK 1.5). To make a quick test, I put inside my project the classes SmilesGenerator and CanonicalLabeler (taken form the original source of 1.4.9), so everything I made was with target JDK 1.7 (but I think that's not relevant). Then, in the CanonicalLabeler, I just tried to surround with try-catch the call that produced the Exception, sortArrayList(v) in the method step3(ArrayList v, IAtomContainer atoms). I didn't put any code in the catch, so actually I just ignored the Exception, but as far as I understand this was what happenened when running on JDK versions prior to 1.7. I tested my code on several thousands of molecule, and actually it worked fine: I generated the correct SMILES, and I've finally been able to produce the SMILES for a couple of compounds for which the Exception was raised. I didn't try to check the code for CanonicalLabeler so actually I have no idea of what I'm ignoring by putting that try-catch, but I guess that anyway I'm obtaining the same behaviour of the code for previous JDK versions. Anyway this means that there is something wrong in the CanonicalLabeler, but that before it was just ignored, right? Thanks again for your help, regards A. -- Alberto Manganaro Milano Chemometrics and QSAR Research Group Department of Environmental Sciences University of Milano-Bicocca P.zza della Scienza, 1 20126 Milano - Italy http://michem.disat.unimib.it/chm/ ------------------------------------------------------------------------------ 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
