rapodaca / cheminfbenchmark forked from egonw/cheminfbenchmark

Cheminformatics Benchmark Toolkit

cheminfbenchmark / fingerprint-config.xml
100644 65 lines (59 sloc) 2.948 kb
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<?xml version="1.0" encoding="UTF-8"?>
<testSuite name="CheminfoBench" xmlns="http://www.sun.com/japex/testSuite">
    <param name="basedir" value="."/>
 
    <param name="japex.classPath" value="build/classes"/>
    <param name="japex.resultUnit" value="ms"/>
    <param name="japex.warmupIterations" value="5"/>
    <param name="japex.runIterations" value="25"/>
    <param name="japex.reportsDirectory" value="build/reports"/>
 
 
    <driverGroup name="SubgraphIsomorphism" xmlns="http://www.sun.com/japex/testSuite">
        <driver name="CDK-1.2.x">
            <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
            <param name="japex.classPath" value="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
            <param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules.
	Before fingerprints, atom typing and aromatcity perception is performed."/>
        </driver>
        <driver name="CDK-trunk-13858">
            <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
            <param name="japex.classPath" value="${basedir}/lib/cdk-trunk-13858.jar"/>
            <param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
	Before fingerprints, atom typing and aromaticity perception is performed"/>
        </driver>        
    </driverGroup>
 
    <testCase name="test1">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="4" />
        <param name="type" value="standard" />
    </testCase>
    <testCase name="test2">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="6" />
        <param name="type" value="standard" />
    </testCase>
    <testCase name="test3">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="8" />
        <param name="type" value="standard" />
    </testCase>
 
     <testCase name="test4">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="4" />
        <param name="type" value="extended" />
    </testCase>
    <testCase name="test5">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="6" />
        <param name="type" value="extended" />
    </testCase>
    <testCase name="test6">
        <param name="japex.inputFile" value="data/fingerprint.txt" />
        <param name="fplength" value="1024" />
        <param name="fpdepth" value="8" />
        <param name="type" value="extended" />
    </testCase>
</testSuite>