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="10"/>
  <param name="japex.warmupsPerDriver" value="3"/>
  <param name="japex.runIterations" value="100"/>
  <param name="japex.runsPerDriver" value="3"/>
  <param name="japex.reportsDirectory" value="build/reports"/>
  <driverGroup name="MX-CDK-SDF" xmlns="http://www.sun.com/japex/testSuite">
    <driver name="CDK-1.4.x-Data">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBench14"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
      <param name="chemObjectBuilder"
             value="org.openscience.cdk.DefaultChemObjectBuilder"/>
    </driver>
    <driver name="CDK-1.4.x-Nonotify">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBenchNonotify14"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.4.0.jar"/>
      <param name="description" value="Reads SD file, prints sum of calculated molecular masses."/>
      <param name="chemObjectBuilder"
             value="org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder"/>
    </driver>
    <driver name="CDK-1.4.x-Silent">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSDFBenchSilent14"/>
      <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."/>
      <param name="chemObjectBuilder"
             value="org.openscience.cdk.silent.SilentChemObjectBuilder"/>
    </driver>
  </driverGroup>
  <testCase name="CDK Read 416-Record SD File and Calculate Sum of Molecular Masses">
    <param name="japex.inputFile" value="data/pubchem_416_benzenes.sdf" />
  </testCase>
</testSuite>