From: Kai H. <Kai.Hartmann@Uni-Koeln.De> - 2003-05-27 08:37:08
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Hello everyone! AromaticityDetector.java: I adress the bug regarding molecules with exocyclic double bonds being detected as aromatic (like in ubiquinone). I changed line 77 to: if (bond.getOrder() == 2 && ring.contains(bond)) and at least this problem is solved. Please test it before I commit it to cdk. Bye, Kai |