On 23 August 2010 21:55, Craig A. James <cja...@emolecules.com> wrote: > On 8/23/10 1:17 PM, Noel O'Boyle wrote: >>> The function's name doesn't seem right. Aren't wedge and hash 2D >>> concepts, not 0D, even if coordinates do not appear in the function? >>> It's from 0D to 2D? >> >> Actually, to complicate it further, wedge and hash are 3D concepts. >> How about TetStereoToWedgeHash? It should be pointed out however that >> this code doesn't affect wedge/hash bond properties - it just returns >> information. Feel free to change the name if you think this is better. > > My favorite term for wedge/hash (along with cis/trans) bonds is "2-1/2 D", > two-and-a-half dimensions. It's more than 2D but not 3D.
That's fair enough, but here it's 0.5D (connection table + stereo). I'm not sure this is helpful to the people using the function though. > Craig > > ------------------------------------------------------------------------------ > Sell apps to millions through the Intel(R) Atom(Tm) Developer Program > Be part of this innovative community and reach millions of netbook users > worldwide. Take advantage of special opportunities to increase revenue and > speed time-to-market. Join now, and jumpstart your future. > http://p.sf.net/sfu/intel-atom-d2d > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ Sell apps to millions through the Intel(R) Atom(Tm) Developer Program Be part of this innovative community and reach millions of netbook users worldwide. Take advantage of special opportunities to increase revenue and speed time-to-market. Join now, and jumpstart your future. http://p.sf.net/sfu/intel-atom-d2d _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
