[Open Babel] Java API: setting OBConformerScore will crash application

2013-11-30 Thread Joos Kiener
Just using 

OBConformerSearch conformerSearch = new OBConformerSearch();

works. However I want to use different scoring than RMSD, which seems to be
the default (not really documented).

If I do this

OBConformerSearch conformerSearch = new OBConformerSearch();
OBConformerScore score = new OBEnergyConformerScore();
conformerSearch.SetScore(score);


The application will always crash. Any ideas how I can solve this issue?
(Windows 7)



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Re: [Open Babel] Java API: setting OBConformerScore will crash application

2013-11-30 Thread Noel O'Boyle
Can you give an example of a complete Java program (as short as
possible) that reproduces the problem?

On 29 November 2013 11:18, Joos Kiener  wrote:
> Just using
>
> OBConformerSearch conformerSearch = new OBConformerSearch();
>
> works. However I want to use different scoring than RMSD, which seems to be
> the default (not really documented).
>
> If I do this
> 
> OBConformerSearch conformerSearch = new OBConformerSearch();
> OBConformerScore score = new OBEnergyConformerScore();
> conformerSearch.SetScore(score);
> 
>
> The application will always crash. Any ideas how I can solve this issue?
> (Windows 7)
>
>
>
> --
> View this message in context: 
> http://forums.openbabel.org/Java-API-setting-OBConformerScore-will-crash-application-tp4656958.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
> --
> Rapidly troubleshoot problems before they affect your business. Most IT
> organizations don't have a clear picture of how application performance
> affects their revenue. With AppDynamics, you get 100% visibility into your
> Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
> http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk
> ___
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

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Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
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