Chris,

Thanks for the answer. Thus, the bottomline is that those missing source
files are just bugs, and not deliberately left out.

Nick VANDEWIELE
-----Original Message-----
From: Christoph Steinbeck [mailto:[email protected]] 
Sent: Thursday, August 05, 2010 12:25 PM
To: [email protected]
Subject: Re: [Cdk-user] StructureDiagramGenerator error?

Hi again,

sorry, I should have been more constructive: So your options are to assist
the release manager (still Egon) in fixing this, or to wait until he does
it.
In any case, please file a bug report!

Cheers,

Chris

On 04/08/2010 21:40, Christoph Steinbeck wrote:
> 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(TemplateHand
>> ler.jav
>> a:98)
>>>       at
>>>
org.openscience.cdk.layout.TemplateHandler.<init>(TemplateHandler.java:83)
>>>       at
>>>
>> org.openscience.cdk.layout.StructureDiagramGenerator.setMolecule(Stru
>> ctureDi
>> agramGenerator.java:131)
>>>
>>>       at
>>>
>> org.openscience.cdk.layout.StructureDiagramGenerator.setMolecule(Stru
>> ctureDi
>> 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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Development Kit to bring their C/C++ apps to Palm for a share of $1 Million
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