[openbabel-scripting] Re: openbabel and swig

[Geoff H. <ge...@ge...>]

On Jun 13, 2005, at 5:49 PM, S Joshua Swamidass wrote:

> Okay, let me look through the new stuff. As i mentioned, the last time
> i looked at it a bit back. I'll start seeing what works, doesn't work
> and get back to you soon.

Well, I have good news on that front. I tried a few things last night  
and just committed some changes. The Python wrapper will compile,  
link and import into Python. (This is in the openbabel-new-framework  
CVS branch -- I'd be glad to send a snapshot if someone doesn't want  
to access the CVS version.)

At this point, I hope people can run with it? I don't know enough  
about Python or what functionality people want to write a decent test  
script. Hopefully there's now enough that people can get some work done.

% ob-newf: cd src/
% src: swig -c++ -modern -python -o openbabel_python.cpp openbabel.i
[various warnings]
% src: g++ -c openbabel_python.cpp -DHAVE_CONFIG_H -I/sw/include/ 
python2.4 -I/sw/lib/python2.4/config -I.
% src: g++ -bundle -undefined supress -flat_namespace .libs/*.o  
math/.libs/*.o openbabel_python.o -o _openbabel.so

[That last line is for linking on Mac OS X -- change as needed for  
your platform.]

% ob-newf: python
Python 2.4.1 (#1, May 11 2005, 10:46:27)
[GCC 4.0.0 20041026 (Apple Computer, Inc. build 4061)] on darwin
Type "help", "copyright", "credits" or "license" for more information.
 >>> import openbabel
 >>>

Cheers,
-Geoff