[Rdkit-discuss] Standardizer code from Java

[Tim Dudgeon]

I'm trying to get my head round using the new standardizer code from Java.
Looks like this should be accessible from the RDKFuncs class, but I'm 
failing at stage 1.

Simple example is:

package org.exmple;

import org.RDKit.RDKFuncs;
import org.RDKit.RWMol;

public class Simple {

    static {
        System.loadLibrary("GraphMolWrap");
    }

    public static void main(String[] args) {
        RWMol mol1 = RWMol.MolFromSmiles("CC");
        try {
            RWMol mol2 = RDKFuncs.cleanup(mol1);
            System.out.println(mol2.MolToSmiles());
        }catch (Exception ex) {
            System.out.println("Exception! " + ex.getMessage());
            ex.printStackTrace();
        }
    }
}

Result is:

Exception! null
org.RDKit.GenericRDKitException
        at org.RDKit.RDKFuncsJNI.cleanup__SWIG_1(Native Method)
        at org.RDKit.RDKFuncs.cleanup(RDKFuncs.java:5173)
        at org.squonk.fragnet.Simple.main(Simple.java:15)

Exception doesn't give much to go on!

This is running against code on RDKit Release_2019_09 branch and using Java 11.

Has anyone got this working?

Tim

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