import joelib2.example.FeatureCalculationExample; import joelib2.feature.util.AtomPropertyDescriptors; import joelib2.feature.util.SMARTSDescriptors; import joelib2.io.BasicIOType; import org.apache.log4j.Category; public class JoelibFc { private static Category logger = Category.getInstance(FeatureCalculationExample.class.getName()); public static final int CONTINUE = 0; public static final int STOP = 1; public static final int STOP_USAGE = 2; private static final double[] RDF_SMOOTHINGFACTORS = { 1.0D, 5.0D, 25.0D, 150.0D }; private static final String NUMERIC = ".numeric"; private static final String NUMERIC_NORMALIZED = ".numeric.normalized"; private boolean calculateAP = true; private boolean calculateBinarySMARTS = true; private boolean calculateCountSMARTS = false; private boolean calculateJCC = true; private boolean calculateSSKey = true; private AtomPropertyDescriptors calculatorAP = new AtomPropertyDescriptors(); private SMARTSDescriptors calculatorSMARTS = new SMARTSDescriptors(); private String inputFile; private BasicIOType inType; private boolean normalize = false; private String outputFile; private BasicIOType outType; private String[] smartsDescriptions = null; private String smartsFile; private String[] smartsPatterns = null; private String trueDescName = null; public JoelibFc(String paramString1, String paramString2) { FeatureCalculationExample localFeatureCalculationExample = new FeatureCalculationExample(); String[] arrayOfString = new String[2]; arrayOfString[0] = paramString1; arrayOfString[1] = paramString2; int i = localFeatureCalculationExample.parseCommandLine(arrayOfString); localFeatureCalculationExample.initializeSMARTS(); localFeatureCalculationExample.calculateNumericDescriptors(); localFeatureCalculationExample.calculateNormalization(); localFeatureCalculationExample.calculateNominalDescriptors(); } }