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fingerprint-config.xml
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fingerprint-config.xml
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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="3"/>
<param name="japex.runIterations" value="10"/>
<param name="japex.reportsDirectory" value="build/reports"/>
<param name="japex.warmupsPerDriver" value="2"/>
<param name="japex.runsPerDriver" value="2"/>
<param name="japex.numberOfThreads" value="3"/>
<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="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules.
Before fingerprints, atom typing and aromatcity perception is performed."/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.DefaultChemObjectBuilder"/>
</driver>
<driver name="CDK-1.2.x-nonotify">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${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."/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder"/>
</driver>
<driver name="CDK-1.3.x-2009-10-08">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.3.x-20091008.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
Before fingerprints, atom typing and aromaticity perception is performed"/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.DefaultChemObjectBuilder"/>
</driver>
<driver name="CDK-1.3.x-2009-10-08-nonotify">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.3.x-20091008.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
Before fingerprints, atom typing and aromaticity perception is performed"/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder"/>
</driver>
<driver name="CDK-1.4.0">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
Before fingerprints, atom typing and aromaticity perception is performed"/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.DefaultChemObjectBuilder"/>
</driver>
<driver name="CDK-1.4.0-nonotify">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
Before fingerprints, atom typing and aromaticity perception is performed"/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder"/>
</driver>
<driver name="CDK-1.4.0-silent">
<param name="japex.driverClass" value="net.openmolecules.benchmark.driver.FingerprintCDKBench"/>
<param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
<param name="description" value="Benchmark of path based hashed fingperints based on 22 molecules
Before fingerprints, atom typing and aromaticity perception is performed"/>
<param name="chemObjectBuilder"
value="org.openscience.cdk.silent.SilentChemObjectBuilder"/>
</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>