Library MCS: ArrayIndexOutofBounds Exception

When I load a file into Libmcs, after reading it generates the arrayindexoutof bound exception. I have checked the the sdf file and it can be read / write without any problem with mview.





The error goes like this:





[abc@rose bin]$ ./libmcs test/Mol_common_4_3_1t.mrv


java.lang.ArrayIndexOutOfBoundsException: -79


at chemaxon.struc.StaticMolecule.init(StaticMolecule.java:437)


at chemaxon.struc.StaticMolecule.<init>(StaticMolecule.java:87)


at chemaxon.clustering.LibraryMCS.addMolecule(LibraryMCS.java:420)


at chemaxon.clustering.gui.JKlustorImport$1.finished(JKlustorImport.java:214)


at chemaxon.clustering.gui.SwingWorker$1.run(SwingWorker.java:114)


at java.awt.event.InvocationEvent.dispatch(InvocationEvent.java:178)


at java.awt.EventQueue.dispatchEvent(EventQueue.java:454)


at java.awt.EventDispatchThread.pumpOneEventForHierarchy(EventDispatchThread.java:201)


at java.awt.EventDispatchThread.pumpEventsForHierarchy(EventDispatchThread.java:151)


at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:145) at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:137) at java.awt.EventDispatchThread.run(EventDispatchThread.java:100)

Could you provide us your input file - if it's not confidential? Then we can trace back the bug easily....


In order to reduce memory consumption to minimum, LibraryMCs uses a molecule representation different from the one used in MView - this may explain the difference in their behaviour.





Regards,


Miklos

please find attached the data file.

Many thanks for sending the input file, it's a great help. We managed to reproduce the problem you reported. It'll be fixed very soon, I'll let you know when it's ready to try.


Regards


Miklos

LibraryMCS now works with your input file. You may wish to try the Java WebStart version at http://www.chemaxon.com/shared/libMCS/.


This bug fix will be included in the next release of JChem, I'll let you know when it's available for download.





Miklos