mx-cdk-substructure.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.runIterations" value="10"/>
  <param name="japex.reportsDirectory" value="build/reports"/>
  <driverGroup name="Ring Benchmark" xmlns="http://www.sun.com/japex/testSuite">
    <driver name="CDK-1.2.x">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.CDKSubstructureBench"/>
      <param name="japex.classPath" value="${basedir}/lib/cdk-1.2.x-20090116.jar"/>
      <param name="description" value="Finds all substructures in a set of hydrogen-suppressed structures."/>
    </driver>
    <driver name="mx-0.108.1">
      <param name="japex.driverClass" value="net.openmolecules.benchmark.driver.MXSubstructureBench"/>
      <param name="japex.classPath" value="${basedir}/lib/mx-0.108.1.jar"/>
      <param name="description" value="Finds all substructures in a set of hydrogen-suppressed structures."/>
    </driver>
  </driverGroup>
  <testCase name="Read 416-Record PubChem SD File and Find All Substructure Matches to Benzene in Each Hydrogen-Suppressed Structure">
    <param name="japex.inputFile" value="data/pubchem_416_benzenes.sdf" />
  </testCase>
</testSuite>