From: Rajarshi G. <rg...@in...> - 2007-10-05 15:09:57
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On Oct 5, 2007, at 10:36 AM, Jiao, Dazhi wrote: > This is fixed. I updated the logics in totalhydrogenatom matching. > I was > doing something that is not necessary anymore after the AtomType > update. > Thanks I also noticed that for the case of c1nc2=NC3=C(C(n2[nH]1)c1cc(cc(c1) F)F)C(=O)CC(C3)c1ccco1 getHydrogens() returns null for 3 of the N's and 1 for one of the N's. Is a null value correct? ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Q: What do you get when you cross a mosquito with a mountain climber? A: Nothing. You can't cross a vector with a scaler. |