> Really, I have been having discussions over this since the start of > the CDK... please have a look in the archives for the full > discussions...
Will do, sounds like an interesting discussion. > > What about making an option: "Don't verify aromaticity, and take > whatever is encoded in the SMILES" ? I'll make a patch for that, it would suit my needs for Orchem. > > It would not reflect the SMILES specification, but everyone seems a > bit agnostics about the specs and use it in whatever way they think is > suitable... > One more thing, in the example I sent, the one ring that does not get aromaticity detected thus ends up as a ring with only single bonds. I though that in particular was not a desirable effect. regards, Mark ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
