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PetitjeanShapeIndexDescriptor and no 3dHi all,
I just had a look at descriptors and saw that those which need 3d throw an excpetion if no 3d exists. Only PetitjeanShapeIndexDescriptor return NaN in that case. Is that intended? I would think it should be uniform. Stefan -- Stefan Kuhn B. Sc. M. A. Software Engineer in the Chemoinformatics and Metabolism Team European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2657 Fax +44 (0)1223 494 468 ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: PetitjeanShapeIndexDescriptor and no 3dOn Wed, Oct 28, 2009 at 11:41 AM, Stefan Kuhn <stefan.kuhn@...> wrote: Hi all, I agreeĀ - rather than throwing an exception, NaN should be returned -- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: PetitjeanShapeIndexDescriptor and no 3dIMHO exceptions are more explanatory , but the behaviour should be uniform anyway. Best regards, Nina
------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: PetitjeanShapeIndexDescriptor and no 3dI would also think exceptions are better - NaNs can pass unnoticed and then
users get nonsense values. Stefan On Wednesday 28 October 2009 16:03:27 Nina Jeliazkova wrote: > Rajarshi Guha wrote: > > On Wed, Oct 28, 2009 at 11:41 AM, Stefan Kuhn <stefan.kuhn@... > > <mailto:stefan.kuhn@...>> wrote: > > > > Hi all, > > I just had a look at descriptors and saw that those which need 3d > > throw an > > excpetion if no 3d exists. Only PetitjeanShapeIndexDescriptor > > return NaN in > > that case. Is that intended? I would think it should be uniform. > > > > > > I agree - rather than throwing an exception, NaN should be returned > > IMHO exceptions are more explanatory , but the behaviour should be > uniform anyway. > > Best regards, > Nina > > > -- > > Rajarshi Guha > > NIH Chemical Genomics Center > > ------------------------------------------------------------------------ > > > > ------------------------------------------------------------------------- > >----- Come build with us! The BlackBerry(R) Developer Conference in SF, CA > > is the only developer event you need to attend this year. Jumpstart your > > developing skills, take BlackBerry mobile applications to market and stay > > ahead of the curve. Join us from November 9 - 12, 2009. Register now! > > http://p.sf.net/sfu/devconference > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > Cdk-devel mailing list > > Cdk-devel@... > > https://lists.sourceforge.net/lists/listinfo/cdk-devel -- Stefan Kuhn B. Sc. M. A. Software Engineer in the Chemoinformatics and Metabolism Team European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2657 Fax +44 (0)1223 494 468 ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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Re: PetitjeanShapeIndexDescriptor and no 3dOn Wed, Oct 28, 2009 at 5:55 PM, Rajarshi Guha <rajarshi.guha@...> wrote:
> > > On Wed, Oct 28, 2009 at 11:41 AM, Stefan Kuhn <stefan.kuhn@...> wrote: >> >> Hi all, >> I just had a look at descriptors and saw that those which need 3d throw an >> excpetion if no 3d exists. Only PetitjeanShapeIndexDescriptor return NaN >> in >> that case. Is that intended? I would think it should be uniform. > > I agreeĀ - rather than throwing an exception, NaN should be returned NaN was agreed upon in the past. The NaN is there to always get a matrix returned and relieving the user from manually correcting for NaNs in creating the matrix... there are various reasons why the NaN occurs, and the Exception may have to be extended to multiple NaNs in the matrix... the user would have to manually do that... Did we not add a mechanism for passing the reason of the NaN? If not, perhaps we should do that... Egon -- Post-doc @ Uppsala University Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-devel mailing list Cdk-devel@... https://lists.sourceforge.net/lists/listinfo/cdk-devel |
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