#113 IUPACNAmeGenerator java.lang.NullPointerException issue

[Yannick Djoumbou]

Hi all,

Thank you for this amazing library. I cam across the structure2name package, and decided to try the IUPACNameGenerator, which offers a capability I really need.
Unfortunately, I get a java.lang.NullPointerException when using the process function. See code below:

public class Test {
    public static void main(String[] args) throws Exception {
        IChemObjectBuilder  builder = SilentChemObjectBuilder.getInstance();
        SmilesParser    smiParser       = new SmilesParser(builder);    
        IUPACNameGenerator iupacNG = new IUPACNameGenerator();
        IAtomContainer atc = smiParser.parseSmiles("CC(=O)OC");
        System.out.println(atc == null);
        System.out.println(iupacNG.generateIUPACName(atc));
}
}

This code returns false on the atc==null test, and an exception:

Exception in thread "main" java.lang.NullPointerException
    at ambit2.structure2name.IUPACNameGenerator.generateIUPACName(IUPACNameGenerator.java:39)
    at camer.Test.main(Test.java:21)

Could you please help me solve this?

Best,
Yannick

[Nina Jeliazkova]

• try using latest ambit 4.0.0-SNAPSHOT
• AFAIK the structure2name package is not yet completely functional, Nick could help with details

[Nikolay Kochev]

Dear Yannick
Thank you for the interest with Ambit module structure2name
structure2name module is currently under development and it is a quite far way from being useable at all.

[Yannick Djoumbou]

Hi Nikolay,
Thank you for your quick reply.

Best,
Yannick