> 2. The GetAtomicNum() will be a compiled prefix tree using switch > statements. Right now, if you ask what is the atomic number of Fermium > (element 100), it will do 100 string comparisons.
Fair enough - does it make sense to hand-write the switch statements, though? > 4. We can add an enum for atomic symbols, in anticipation (perhaps) of > removing OBAtom::IsCarbon() and friends in place of > OBAtom::GetAtomicNum() == OBElem:Carbon This sounds like a nice idea. -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
