java/CdkDescriptorInfo.java in lazar-0.9.3 vs java/CdkDescriptorInfo.java in lazar-1.0.0

- old
+ new

@@ -1,12 +1,13 @@ import java.util.*; -import org.openscience.cdk.qsar.descriptors.molecular.*; +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(DescriptorEngine.MOLECULAR); + DescriptorEngine engine = new DescriptorEngine(IMolecularDescriptor.class,null); for (Iterator<IDescriptor> 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+"\"");