From: E.L. W. (Egon) <eg...@sc...> - 2003-10-19 13:31:04
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On Saturday 18 October 2003 15:39, Peter Murray-Rust wrote: > I am running a typical set of crystal structures through CDK and getting > untrapped crashes. These are probably due to the different types of > elements and the variety of bonding. I think it's important that routines > such as saturation checker and AtomTypeFactory trap all possible errors > such as array indices and null pointers as these are likely to be very > common. Exceptions such as ("Atom type not supported in CDK") would be > useful. Which CDK version are you using? And what exact error do you get? Egon -- PhD Molecular Representation in Chemometrics Laboratory of Analytical Chemistry http://www-cac.sci.kun.nl/people/egonw.html |