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-rw-r--r--java/JoelibFc.java48
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diff --git a/java/JoelibFc.java b/java/JoelibFc.java
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+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();
+ }
+}