Hi, is there any way to interrupt computation of org.openscience.cdk.qsar.IMolecularDescriptor?
For example, the computation of BCUT of arsenious acid (O1[As]2O[As]1O2) hangs for long time, I left it to run during weekend and it still did not finish. I need to run the calculations in batch on server where I can't predict which molecules a user would upload. So I need to stop each descriptor's calculation after some timeout even if it's not finished. >From what I've seen in the source, I think the descriptors don't check their interrupted state, so interrupting a thread would be pointless. Now I can imagine only to start new thread for each calculation and eventually use Thread.stop(). Is there a better way? Also will this be safe? I presume it should be OK, but I can't inspect every descriptor to tell whether an exception at arbitrary location could leave any global object at inconsistent state or any resource open. Thank you for your time. Krab -- View this message in context: http://old.nabble.com/Interrupting-descriptor-computation-tp32839007p32839007.html Sent from the cdk-user mailing list archive at Nabble.com. ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
