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-rw-r--r--java/ApplyCDKDescriptors.classbin8865 -> 8942 bytes
-rw-r--r--java/ApplyCDKDescriptors.java9
m---------last-utils0
3 files changed, 7 insertions, 2 deletions
diff --git a/java/ApplyCDKDescriptors.class b/java/ApplyCDKDescriptors.class
index c5ee8a4..7f3811a 100644
--- a/java/ApplyCDKDescriptors.class
+++ b/java/ApplyCDKDescriptors.class
Binary files differ
diff --git a/java/ApplyCDKDescriptors.java b/java/ApplyCDKDescriptors.java
index 85a1abd..6207031 100644
--- a/java/ApplyCDKDescriptors.java
+++ b/java/ApplyCDKDescriptors.java
@@ -59,8 +59,13 @@ public class ApplyCDKDescriptors {
*/
public static void main(String args[]) throws java.io.IOException
{
- String inpath = "hamster_3d.sdf";
- String outpath = "hamster_desc.csv";
+ int length = args.length;
+ if (length != 2) {
+ System.out.println("Enter two file names: <input.sdf> <output.csv>");
+ System.exit(1);
+ }
+ String inpath = args[0];
+ String outpath = args[1];
getDescriptorCSV(inpath,outpath,"");
}
diff --git a/last-utils b/last-utils
-Subproject 6562a3d581a6141f946098e68fc2a3f80f0446b
+Subproject 01b21b06f93b112a8f745531e38486609f5ac57