1 files changed, 0 insertions, 60 deletions
diff --git a/java/JoelibDescriptors.java b/java/JoelibDescriptors.java
deleted file mode 100644
index e90e35f..0000000
--- a/java/JoelibDescriptors.java
+++ /dev/null
@@ -1,60 +0,0 @@
-import java.util.*;
-import java.io.*;
-import joelib2.feature.Feature;
-import joelib2.feature.FeatureHelper;
-import joelib2.feature.FeatureFactory;
-import joelib2.feature.FeatureResult;
-import joelib2.io.BasicIOType;
-import joelib2.io.BasicIOTypeHolder;
-import joelib2.io.BasicReader;
-import joelib2.io.MoleculeFileHelper;
-import joelib2.io.MoleculeFileIO;
-import joelib2.io.MoleculeIOException;
-import joelib2.molecule.BasicConformerMolecule;
-
-class JoelibDescriptors {
-  public static void main(String[] args) {
-
-    String[] features = null;
-    features = new String[args.length-1];
-    System.arraycopy(args,1,features,0,args.length-1);
-
-    FeatureFactory factory = FeatureFactory.instance();
-    MoleculeFileIO loader = null;
-    String line = new String();
-    String sdf = new String();
-    try {
-      // parse 3d sdf from file and calculate descriptors
-      InputStream is = new FileInputStream(args[0]);
-      PrintWriter yaml = new PrintWriter(new FileWriter(args[0]+"joelib.yaml"));
-      BasicIOType inType = BasicIOTypeHolder.instance().getIOType("SDF");
-      loader = MoleculeFileHelper.getMolReader(is, inType);
-      BasicConformerMolecule mol = new BasicConformerMolecule(inType, inType);
-      while (true) {
-        try {
-          Boolean success = loader.read(mol);
-          if (!success) { break; } // last molecule
-          for (int i =0; i < features.length; i++) {
-            String name = "joelib2.feature.types." + features[i];
-            Feature feature = factory.getFeature(name);
-            FeatureResult result = feature.calculate(mol);
-            if (i == 0) { yaml.print("- "); }
-            else { yaml.print("  "); }
-            yaml.print( "Joelib."+features[i]+": " );
-            yaml.println( result.toString() );
-          }
-
-        }
-        catch (Exception e) { 
-          System.err.println(e.toString());
-          e.printStackTrace();
-        }
-      }
-      yaml.close();
-    }
-    catch (Exception e) {
-      System.err.println(e.toString());
-      e.printStackTrace();
-    }
-  }
-}