[Cdk-user] re garding smarts searching performance

[sapana <sap...@gm...>]

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 

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