From: E.L. W. (Egon) <eg...@sc...> - 2003-10-19 16:47:23
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On Sunday 19 October 2003 17:13, Peter Murray-Rust wrote: > At 12:52 19/10/2003 +0200, E.L. Willighagen (Egon) wrote: > >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? > > I think it was the most recent checkout a few days ago. > > > And what exact error do you get? > > I posted it as a bug. The error is: > [java] java.lang.ArrayIndexOutOfBoundsException: 0 > [java] at > org.openscience.cdk.tools.AtomTypeFactory.getAtomTypes(AtomTypeFactory.java >:256) [java] at > org.openscience.cdk.tools.SaturationChecker.saturate(SaturationChecker.java >:221) I later saw the bug you posted to SF... sorry for that. I'll look into the problem soon. But will be very busy next week with other things... Egon -- PhD Molecular Representation in Chemometrics Laboratory of Analytical Chemistry http://www-cac.sci.kun.nl/people/egonw.html |