import java.util.*; import org.openscience.cdk.DefaultChemObjectBuilder; import org.openscience.cdk.qsar.*; //import org.openscience.cdk.qsar.descriptors.molecular.*; class CdkDescriptorInfo { public static void main(String[] args) { DescriptorEngine engine = new DescriptorEngine(IMolecularDescriptor.class,null); for (Iterator it = engine.getDescriptorInstances().iterator(); it.hasNext(); ) { IDescriptor descriptor = it.next(); String cdk_class = descriptor.getClass().toString().replaceAll("class ",""); System.out.println("- :java_class: \""+cdk_class+"\""); String description = engine.getDictionaryDefinition(cdk_class).replaceAll("^\\s+", "" ).replaceAll("\\s+$", "").replaceAll("\\s+", " "); System.out.println(" :description: \""+description+"\""); System.out.println(" :names:"); for (String name : descriptor.getDescriptorNames()) { System.out.println(" - \""+name+"\""); } } } }