Sure.
The thing is: things break (it's their nature :-)) and then get fixed
again by volunteers, like erverything here is done by volunteers.
That stuff all used to work and broke at some point.

Cheers,

Chris

On 04/08/2010 19:33, Nick Vandewiele wrote:
> Jules,
> 
> Thanks for the answer.
> Is there a reason why the source distribution misses some files compared to
> the compiles jar files? My ignorant thinking would argue that when you
> compile some files and wrap them in a jar, you could also just add to the
> source distro too, no?
> 
> I am asking this, because that I encountered similar stuff with the
> cdk-jchempaint renderer features that also required a cdk jar, instead of
> just the source files.
> 
> 
> Nick VANDEWIELE
> 
> -----Original Message-----
> From: Jules Kerssemakers [mailto:[email protected]] 
> Sent: Wednesday, August 04, 2010 10:23 AM
> To: Nick Vandewiele
> Cc: [email protected]
> Subject: Re: [Cdk-user] StructureDiagramGenerator error?
> 
> Hello Nick,
> 
> Looks like you are using the 1.2.5. version compiled from source.
> I encountered the same problem, it comes from the fact that a few
> template files used by the SDG are not included in the source
> distribution, but they are included in the ready-made jar from
> sourceforge.
> This is already known, and should be fixed soon.
> The exception you see printed is not fatal, your program should
> complete normally.
> It just looks very bad because there's a debugging
> "System.err.println(); ex.printStackTrace();" that was accidentally
> left in.
> 
> here's how to fix it:
> A) for very lazy people:
> - Get the full CDK jarfile from sourceforge
> - use that instead of the manually compiled cdk-from-source jarfile
> - fixed!
> 
> B) if you can't use A because you've made changes to the cdk-source:
> - Again get the full CDK jarfile from sourceforge
> - open it and find the subfolder "/org/openscience/cdk/layout/templates/"
> - copy that folder with contents to the same place in the jar-file you use
> - fixed!
> 
> The templates are used by the SDG to neatly layout some idiotic
> substructures like adamantane and cubane, which looks ugly otherwise,
> they are not necessary for 'normal' structures.
> 
> Cheers!
> Jules
> 
> 
> On 3 August 2010 17:29, Nick Vandewiele <[email protected]> wrote:
>> Hi,
>>
>> When using StructureDiagramGenerator.setMolecule(IMolecule) method in the
>> code snippet below, it produces a  NullPointerException mentioned below.
> I’m
>> using cdk1.2.5, although I encountered the same in the cdk1.3.5 branch.
> What
>> am I doing wrong here?
>>
>> Thanks in advance,
>>
>> IMolecule triazole = MoleculeFactory.make123Triazole();
>> StructureDiagramGenerator sdg = new StructureDiagramGenerator();
>> sdg.setMolecule(triazole);
>>
>> Reason: null
>> java.lang.NullPointerException
>>       at java.io.Reader.<init>(Reader.java:61)
>>       at java.io.InputStreamReader.<init>(InputStreamReader.java:55)
>>       at
>>
> org.openscience.cdk.layout.TemplateHandler.loadTemplates(TemplateHandler.jav
> a:98)
>>       at
>> org.openscience.cdk.layout.TemplateHandler.<init>(TemplateHandler.java:83)
>>       at
>>
> org.openscience.cdk.layout.StructureDiagramGenerator.setMolecule(StructureDi
> agramGenerator.java:131)
>>
>>       at
>>
> org.openscience.cdk.layout.StructureDiagramGenerator.setMolecule(StructureDi
> agramGenerator.java:221)
>>
>>       at pinanol.main(filename.java:69)
>>
>>
>>
>> Nick VANDEWIELE
>>
>>
> ----------------------------------------------------------------------------
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> 
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-- 
Dr. Christoph Steinbeck
Head of Chemoinformatics and Metabolism
European Bioinformatics Institute (EBI)
Wellcome Trust Genome Campus
Hinxton, Cambridge CB10 1SD UK
Phone +44 1223 49 2640; Mobile +44 7826 522319

Video meliora proboque deteriora sequor.
                ... Ovid, Metamorphoses VII, 20/21


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