2011/12/22 Geoffrey Hutchison <geo...@pitt.edu>: > > On Dec 21, 2011, at 2:52 PM, My Th wrote: > >> My point also was not about version numbering, but rather the project v3 >> which has been documented in OB wiki with its goals. I would like to see >> them reached. > > I think you're referring to this: > http://openbabel.org/wiki/Roadmap > > If so, what particular items do you think are needed? While the document > hasn't been touched since 2006, you'll note that we have, in fact, been > releasing these features as part of the 2.x releases. >
The roadmap as it is written there is completed, as you say. I was referring to this: http://openbabel.org/wiki/Version_3.0_Projects And in particular to the following points: - Improved Code Quality - Improved Plugin Framework - Indexing from 0, not 1 - Consider using Boost Also I was interested in "SetData and scripting bindings", but that link is broken, so I don't know what it is really about, and in fixing all compiler warnings (API break would be required, so bump to v3). In addition to that I was thinking about these: - Atom index type (size_t) to fix all signed/unsigned int comparison warnings - Decoupling of residue and chain perception, since some formats have defined residues, would be performance win to use that info - Molecule system class or similar thing to group multiple molecules in one unit (useful for modeling file formats) We have discussed the possible improvements to plugin system with Chris Morley, e.g., see the discussion thread "[OpenBabel-Devel] Segfault in OBForceField::MakeNewInstance()", where he proposed the use of Boost's shared pointers for plugin instances, which I think is worth considering. > Removing old API calls would, in fact occur with an Open Babel v3 release (or > any similar major release, v4, etc.). That's our numbering scheme. > As I mentioned, to clean up the code API break would be required, so can't really complete that without v3. All above could and should be done independently of MolCore, IMHO. Reinis P.S. Please consider migrating to Git :) ------------------------------------------------------------------------------ Write once. Port to many. Get the SDK and tools to simplify cross-platform app development. Create new or port existing apps to sell to consumers worldwide. Explore the Intel AppUpSM program developer opportunity. appdeveloper.intel.com/join http://p.sf.net/sfu/intel-appdev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
