rapodaca / cheminfbenchmark forked from egonw/cheminfbenchmark

Cheminformatics Benchmark Toolkit

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cheminfbenchmark / isomorph-config.xml
100644 30 lines (26 sloc) 1.481 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="10"/>
    <param name="japex.runIterations" value="50"/>
    <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.IsomorphismCDKBench"/>
            <param name="japex.classPath" value="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
            <param name="description" value="Benchamrks single match subgraph isomorphism for a collection
of query and target SMILES"/>
        </driver>
        <driver name="CDK-trunk-13858">
            <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.IsomorphismCDKBench"/>
            <param name="japex.classPath" value="${basedir}/lib/cdk-trunk-13858.jar"/>
            <param name="description" value="Benchamrks single match subgraph isomorphism for a collection
of query and target SMILES"/>
        </driver>
    </driverGroup>
 
    <testCase name="test1">
        <param name="japex.inputFile" value="data/isomorphism.txt" />
    </testCase>
</testSuite>