> make an isotope/mass vector a member of OBElement instead of its "mass > Atomic mass (in amu)", but that's just me.)
The problem is that the full isotope table is fairly huge and rarely used. Checking memory use, I see that in my programs, it's usually never even initialized, while the element table obviously is. I agree that it's perhaps not as convenient, but that's something to consider in a backwards-incompatible Open Babel 3 effort. -Geoff ------------------------------------------------------------------------------ Shape the Mobile Experience: Free Subscription Software experts and developers: Be at the forefront of tech innovation. Intel(R) Software Adrenaline delivers strategic insight and game-changing conversations that shape the rapidly evolving mobile landscape. Sign up now. http://pubads.g.doubleclick.net/gampad/clk?id=63431311&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
