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#1377 NullPointerException when generating depiction of molecule

master
closed
nobody
None
1
2015-12-12
2015-12-11
No

I receive a NullPointerException when creating a depiction of certain molecules. This only happens for one out of thousands of molecules. I attached a minimum example to reproduce this exception. The example requires the CDK 1.5.12 release and the CDK's depiction engine. The attached SDF file contains a critical molecule and must be placed in a "resources" folder beside the executed java file to make the example runnable (or you can adjust the path in the java file to fit your setup).

The exception itself looks life this:

Exception in thread "main" java.lang.NullPointerException
    at org.openscience.cdk.renderer.generators.standard.VecmathUtil.toVecmathPoint(VecmathUtil.java:70)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.backOffPointOf(StandardBondGenerator.java:1204)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.backOffPoint(StandardBondGenerator.java:1176)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.generateCenteredDoubleBond(StandardBondGenerator.java:834)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.generateDoubleBond(StandardBondGenerator.java:646)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.generate(StandardBondGenerator.java:220)
    at org.openscience.cdk.renderer.generators.standard.StandardBondGenerator.generateBonds(StandardBondGenerator.java:193)
    at org.openscience.cdk.renderer.generators.standard.StandardGenerator.generate(StandardGenerator.java:202)
    at org.openscience.cdk.renderer.generators.standard.StandardGenerator.generate(StandardGenerator.java:86)
    at org.openscience.cdk.depict.DepictionGenerator.generate(DepictionGenerator.java:610)
    at org.openscience.cdk.depict.DepictionGenerator.generate(DepictionGenerator.java:626)
    at org.openscience.cdk.depict.DepictionGenerator.depict(DepictionGenerator.java:349)
    at org.openscience.cdk.depict.DepictionGenerator.depict(DepictionGenerator.java:296)
    at example.MainCriticalSvg.main(MainCriticalSvg.java:37)
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Discussion

  • John May

    John May - 2015-12-12
     
  • John May

    John May - 2015-12-12
    • status: open --> closed