On Thu, Mar 26, 2009 at 4:20 PM, Markus Hartenfeller <hartenfel...@bioinformatik.uni-frankfurt.de> wrote: > I have tried that for every molecule I am using: > > IMolecule x ... > x = NoNotificationChemObjectBuilder.getInstance().newMolecule(libFrag); > > But still profiling tells me that a lot of time is spent at method > notifyChanged() and that I have nearly 500.000 (still growing) instances of > the class ChemObjectChangedEvent in memory, nearly all referenced by class > Atom (some by Bond). > > So that does not seem to fix it. > Any ideas?
What code are you using in your profiling? The code that modifies the molecule must use the x.getBuilder.newAtom() methods... Same applies to libFrag, that must be created using the NoNotificationChemObjectBuilder too... If you could post the full code, then I can check it for you... Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
