Substructure search fails with error

Dear IJC people





The attached search (which uses in chain topology descriptors) fails with the following error





ava.lang.ArrayIndexOutOfBoundsException: -1


at chemaxon.util.BondClassifier.isRingBond(BondClassifier.java:115)


at chemaxon.sss.search.StructureSearch.compareBonds(StructureSearch.java:3842)


at chemaxon.sss.search.StructureSearch.areCompatibleBondsAndMapped(StructureSearch.java:4578)


at chemaxon.sss.search.StructureSearch.testNode(StructureSearch.java:4698)


at chemaxon.sss.search.StructureSearch.refine(StructureSearch.java:4544)


at chemaxon.sss.search.StructureSearch.initMaps(StructureSearch.java:2999)


at chemaxon.sss.search.StructureSearch.findFirst0(StructureSearch.java:5192)


at chemaxon.sss.search.StructureSearch.isMatching0(StructureSearch.java:5656)


at chemaxon.sss.search.StructureSearch.isMatching(StructureSearch.java:5648)


at chemaxon.sss.search.MolSearch.isMatching(MolSearch.java:856)


at chemaxon.jchem.db.JChemSearch.isMatching(JChemSearch.java:3991)


at chemaxon.jchem.db.JChemSearch.access$700(JChemSearch.java:79)


[catch] at chemaxon.jchem.db.JChemSearch$ABASThread.run(JChemSearch.java:399)





It works without the topology limits.





Cheers





David





~

I think this is a structure searching problem, not an IJC issue. So I have moved it to the forum that deals with this.





Tim

Hi David,





Thank you for the bug report, we have fixed it. JChem 3.2.7 and upward (and all Instant JChem versions using those) will be OK.





Regards,


Szabolcs