From: Stefan Kuhn <stefan.kuhn@un...> - 2003-07-10 15:57:40
in order to fix bug #767076 I had a look at the code of the Aromaticity=20
detector and found that Aromaticity Calculator has line 87 like:
else if (atom.getFlag(CDKConstants.ISAROMATIC))
but HueckelAromaticityDetector in line 55-63 removes all aromatictiy flag=
This is clearly not a usefull solution. Now I could solve my problem simp=
giving a boolean parameter to HeuckelAromaticityDetector indicating that =
flags should not be removed. I would also keep the current method, callin=
the new one with true, so the api would not change. Would this be OK ?
Stefan Kuhn M. A.
Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de)
Z=C3=BClpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7428 Fax: +49 (0) 221-470-7786
My public PGP key is available at http://pgp.mit.edu