print status in cdk desc calculation, this may take some time

1 files changed, 2 insertions, 0 deletions

diff --git a/java/CdkDescriptors.java b/java/CdkDescriptors.java
index 644e3d8..092e986 100644
--- a/java/CdkDescriptors.java
+++ b/java/CdkDescriptors.java
@@ -26,8 +26,10 @@ class CdkDescriptors {
       PrintWriter yaml = new PrintWriter(new FileWriter(args[0]+"cdk.yaml"));
       // parse 3d sdf from file and calculate descriptors
       IteratingMDLReader reader = new IteratingMDLReader( br, DefaultChemObjectBuilder.getInstance());
+      int c = 0;
       while (reader.hasNext()) {
         try {
+          System.out.println("computing "+(args.length-1)+" descriptors for compound "+(++c));
           IMolecule molecule = (IMolecule)reader.next();
           engine.process(molecule);
           Map<Object,Object> properties = molecule.getProperties();