It might be obvious, but once you get things going, it would be super useful to create an R script which we or you could run to verify that the bindings were working as you expect for all of the Classes of interest.
If you have trouble getting started, email the list again and I can take a look. By the way, openbabel-scripting is officially dead - just email the regular or dev list in future. Also, why not email the discuss list to announce ChemMineOB. - Noel On 5 November 2013 03:54, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: > > We started with a generic file, but frankly it didn't work very well. Many > things, you'll want to customize to meet specific language needs. So it's > fairly fast to adapt, say openbabel-python.i, but not everything will apply. > I'd also look up how R bindings are compiled with SWIG so you can put in the > appropriate CMake build rules. > > Hope that helps, > -Geoff > > (sent to openbabel-scripting @ lists.sourceforge.net) >> I am considering using SWIG to create a new language binding for the R >> language (http://www.r-project.org/). I have so far just been wrapping a >> few functions from openbabel that I needed in C++ code and using R's >> normal interface to C/C++ (.Call). As I understand SWIG, there should be >> one general "openbabel.i" file and then any language binding can be >> created from that. But when I looked in the source tarball for R I found >> instead a swig file for each existing language binding (ie, >> openbabel-java.i, openbabel-python.i, etc. ), and no plain "openbabel.i" >> file. So my first question is, is there such a file? Or else, where >> should I start in creating an "openbabel-R.i" file? Also, any other >> general information anyone things I should know before trying this? Thanks. >> >> Kevin > > ------------------------------------------------------------------------------ > November Webinars for C, C++, Fortran Developers > Accelerate application performance with scalable programming models. Explore > techniques for threading, error checking, porting, and tuning. Get the most > from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel ------------------------------------------------------------------------------ November Webinars for C, C++, Fortran Developers Accelerate application performance with scalable programming models. Explore techniques for threading, error checking, porting, and tuning. Get the most from the latest Intel processors and coprocessors. See abstracts and register http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
