[ghemical-devel] Re: OB-2.0 changes for ghemical

[Geoffrey Hutchison]

Hi Tommi,

I've made some initial changes to integrate Open Babel 2.0 into  
ghemical (CVS HEAD). Before I contribute any sort of patch, I'd like  
to ask a few questions.

* There are significant changes in how files are read under OB 2.0.  
Do you want ghemical to support OB 1.x versions and try to detect  
them via configure? Or should Ghemical 2.0 rely on OB 2.0? (Seems  
like a nice set of version numbers. :-)

* Is the ghemical file format somewhat stable again? It seems like  
the current CVS version will read OB output, and vice versa. Granted,  
the new file format isn't compatible with OB 1.x code, but seems  
completely compatible with OB-2.0.

* Are there more changes needed to the OB-2.0 ghemical format support?

Cheers,
-Geoff

P.S. On an unrelated note, do you want me to go and fix all the  
"backwards" header warnings? I'm assuming that most people are using  
GCC-3.0 or an otherwise recent ISO C++ compiler. It's pretty easy to  
run a sed script and clean up the warnings.