ChemicalTerms: heteroRings() not working?

User 74d30c678b

25-08-2009 09:48:15

Dear support,


5.2.4. is used here. When I execute: evaluate -e "heteroRings()" input.mol
I get this error message:


Exception in thread "main" chemaxon.nfunk.jep.ParseException: Error while evaluating expression:
heteroRings()
    null
        at chemaxon.nfunk.jep.JEP.getValueAsObject(JEP.java:487)
        at chemaxon.jep.ChemJEP.evaluate(ChemJEP.java:149)
        at chemaxon.jep.Evaluator.main(Evaluator.java:1192)
Caused by:
java.lang.NullPointerException
        at chemaxon.calculations.TopologyAnalyser.heteroRings(TopologyAnalyser.java:1875)
        at chemaxon.calculations.TopologyAnalyser.heteroRings(TopologyAnalyser.java:1854)
        at chemaxon.marvin.calculations.TopologyAnalyserPlugin.getHeteroRings(TopologyAnalyserPlugin.java:666)
        at chemaxon.marvin.calculations.TopologyAnalyserPlugin.getResult(TopologyAnalyserPlugin.java:1719)
        at chemaxon.jep.function.Plugin.run(Plugin.java:398)
        at chemaxon.nfunk.jep.EvaluatorVisitor.visit(EvaluatorVisitor.java:290)
        at chemaxon.nfunk.jep.ASTFunNode.jjtAccept(ASTFunNode.java:53)
        at chemaxon.nfunk.jep.EvaluatorVisitor.getValue(EvaluatorVisitor.java:155)
        at chemaxon.nfunk.jep.JEP.getValueAsObject(JEP.java:477)
        at chemaxon.jep.ChemJEP.evaluate(ChemJEP.java:149)
        at chemaxon.jep.Evaluator.main(Evaluator.java:1192)

the test molecule has heterorings, calling the function "heteroRingCount()" outputs the correct number.


Best regards,


Daniel

ChemAxon d76e6e95eb

26-08-2009 19:38:40

Thank you for the bug report, I could reproduce the problem and it will be corrected in the next version.