mx-cdk-sdf.xml

<?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="50"/>
  <param name="japex.runIterations" value="500"/>
  <param name="japex.reportsDirectory" value="build/reports"/>
  <driverGroup name="MX-CDK-SDF" xmlns="http://www.sun.com/japex/testSuite">
    <driver name="CDK-1.2.x">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBench"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
    </driver>
    <driver name="CDK-1.3.x">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBench"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.3.x-20091008.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
    </driver>
    <driver name="CDK-1.4.x">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBench14"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
    </driver>
    <driver name="mx-0.108.1">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.MXSDFBench"/>
      <param name="japex.classPath" value="${basedir}/lib/mx-0.108.1.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
    </driver>
  </driverGroup>
  <testCase name="CDK and MX Read 33-Record SD File and Calculate Sum of Molecular Masses">
    <param name="japex.inputFile" value="data/pubchem_sample_33.sdf" />
  </testCase>
</testSuite>