Chris, > I hope you don't mind a harmless drudge getting some relaxation by > speculating on what might be in a new program (not the next version of > OB). Absolutely, no problem! I hope you will also forgive a harmless wish to keep things operational, even for "a minority of users" :)
> As well as the difficulties with manipulating molecules in OB > implied above, I also am irked by having to use bonds when what I need > are connections and having to remember in what order you construct, > specify and incorporate atoms and bonds. I would be interested to hear > of what features of the iterators you do not like. It was some time ago that I tried it, so my recollection might be hazy. I believe it was impossible to get from AtomIter to OBAtom, and the former does not allow the same level of access. The examples from the API documentation were not always working and the documentation regarding the iterators was very paltry. I'm not an expert but with STL iterators it's trivial to dereference an iterator to get the real object, with AtomIter it was impossible. Perhaps the situation changed since then. > Solving the problems with static builds and MinGW, which I suspect are > are of interest to a minority of users, really needs input from a > developer who is using these features. Do you know of anyone willing to > help? > There were two emails on the list so far - from Ernst-George and myself - on this subject. I think it's an important problem, but I'm of course judging from my own POV only. If you search the archives a bit further back it's a recurring theme with every update. I was hoping it was resolved once and for all with 2.3.0 but 2.3.1 broke things again :( Igor ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
