Noel O'Boyle wrote:
I was trying to increase the timeout for the AllRingsFinder component of
HueckelAromaticityDetector, but it doesn't appear to work to extend the
AllRingsFinder timeout beyound 5s:
aromatacitydetector.setRingFinder(ringfinder)
Looking at the source code in CVS for HueckelAromaticityDetector(), it
appears that "this.ringFinder" is changed from null to the named
ringFinder. However, "this.ringFinder" is not referenced by any other
method. I assume this is a bug.
Regards,
Noel
Noel,
looking at the code of HueckelAromaticityDetector (HAR), it is indeed pretty
inconsistent, but not for the reasone you describe.
HAR's methods for detecting aromaticity are static, so instantiating an HAR and
setting state variables or objects make not much sense from a design point of view.
The method intended to be used is in your case is
public static boolean detectAromaticity(AtomContainer atomContainer, boolean
removeAromatictyFlags, AllRingsFinder arf)
which should work as expected.
You would make your arf, set its timeout and pass it to the method above.
Cheers,
Chris
--
Priv. Doz. Dr. Christoph Steinbeck ([EMAIL PROTECTED])
Head of the Research Group for Molecular Informatics
Cologne University BioInformatics Center (http://almost.cubic.uni-koeln.de)
Zülpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786
What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..
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