From: Egon W. <e.w...@sc...> - 2006-04-17 19:21:38
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I was going through the remaining 14 JUnit errors in the CDK library, and found this class to have tests, it's a class without methods so not much to test. But I saw this in the JavaDoc: "Hetero ring systems must get an even number, carbon ring systems an uneven number." That sounds like a possible cause of dirty bugs. Why is this?? I surely hope that algorithms do not assume this! Is this the case? Is anyone using this assumption? Egon -- e.w...@sc... Cologne University Bioinformatics Center (CUBIC) Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 |
From: <ten...@gm...> - 2006-04-18 07:15:24
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hi, indeed this was ugly. I implemented this for the atom typing procedure, but I think I didn' t use it anymore. I use now the CDKConstants.CHEMICAL_GROUP_CONSTANT and I set the values in AtomTypeTools, without directly using the CDKRingConstants anymore, but use it as a reference (see ringSystemClassifier method in the AtomTypeTools class). One could copy the doc from the CDKRingConstantClass to the function and delete the class. best regards Christian > > I was going through the remaining 14 JUnit errors in the CDK library, and > found this class to have tests, it's a class without methods so not much > to > test. > > But I saw this in the JavaDoc: > > "Hetero ring systems must get an even number, carbon ring systems > an uneven number." > > That sounds like a possible cause of dirty bugs. Why is this?? I surely > hope > that algorithms do not assume this! > > Is this the case? Is anyone using this assumption? > > Egon > > -- > e.w...@sc... > Cologne University Bioinformatics Center (CUBIC) > Blog: http://chem-bla-ics.blogspot.com/ > GPG: 1024D/D6336BA6 > > > ------------------------------------------------------- > This SF.Net email is sponsored by xPML, a groundbreaking scripting > language > that extends applications into web and mobile media. Attend the live > webcast > and join the prime developer group breaking into this new coding > territory! > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 > _______________________________________________ > Cdk-devel mailing list > Cdk...@li... > https://lists.sourceforge.net/lists/listinfo/cdk-devel > -- "Feel free" - 10 GB Mailbox, 100 FreeSMS/Monat ... Jetzt GMX TopMail testen: http://www.gmx.net/de/go/topmail |