From: Rajarshi G. <rg...@in...> - 2008-10-26 20:18:34
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Currently, the descriptor fails the implicit H test since it counts bonds to explicit H's. However, is it correct to count bonds to H's (explicit or implicit)? My thinking is that bonds to H's should not be counted. It also seems that the person who impelemnted testDefaultSetting in the associated unit test also assumed that bonds to heavy atoms were only to be considered. ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 ------------------------------------------------------------------- ...but there was no one in it....... - RG |