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#168 Function to check if all ring bonds are aromatic

open
nobody
cdk.core (5)
3
2012-10-08
2010-11-03
No

Either in ring itself (which means a change to the IRing interface) or in RingManipulator. There is such a method in o.o.c.render.generators.RingGenerator called 'ringIsAromatic'.

Discussion

  • Oh, I just found AromaticityCalculator, and its isAromatic(IRing, IAtomContainer):boolean method....

    However, that code is doing something more complex (checking for electrons and such), rather than just testing for ISAROMATIC flags. So I'm not sure now...