Unfortunately I can't run this code example.

Can you provide a self contained example that shows the problem?

On Sep 18, 2009, at 2:46 AM, sapana wrote:

>
> Dear All,
> I am facing problem with SMARTSQueryTool class.My moleules are  
> stored i
> vector .i am accessing those molecule by get method of vector and  
> stored it
> in Molecule object.my smarts  are stored in XML file. i access each  
> smarts
> pattern one by one and searched againt my molecule.but it gives  
> performance
> issue.it takes long time to search my smarts on molecule.but if i  
> clone the
> molecule for each smart pattern it gives results very fast and if  
> instead of
> using Molecule object if i use AtomContainer class it gives result  
> fast.so i
> am not getting why this is happening.Previousely we had used JOELIB  
> for
> smart search.it performs faster than CDK without cloning of  
> molecule.I have
> attached my source code with this post please go through it .and  
> please help
> me out for better performance of smarts search
> http://www.nabble.com/file/p25488758/FindPattern_cdk.txt  
> FindPattern_cdk.txt
>
> -- 
> View this message in context: 
> http://www.nabble.com/regarding-smarts-searching-performance-tp25488758p25488758.html
> Sent from the cdk-user mailing list archive at Nabble.com.
>
>
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----------------------------------------------------
Rajarshi Guha        | NIH Chemical Genomics Center
http://www.rguha.net | http://ncgc.nih.gov
----------------------------------------------------
The Heineken Uncertainty Principle:
You can never be sure how many beers you had last night.



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