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[Gchemutils-main] library for chemical formula parsing


From: Ingo Bressler
Subject: [Gchemutils-main] library for chemical formula parsing
Date: Wed, 23 Dec 2009 19:56:57 +0100
User-agent: Thunderbird 2.0.0.23 (X11/20090817)

Hello everyone,

in the past months I wrote a program to calculate chemical compound characteristics (yet another ;) with a focus on scattering length densities for scattering experiments in molecular material science.

Unfortunately, I couldn't use the code from gchemutils because I planned to write the GUI with Qt (to simplify going cross-platform) and I didn't want to introduce additional dependencies (especially because parsing syntax only is a rather encapsulated/standalone task).

To solve this problem, I put this task into a separate library (inspired by the modularization of gchemutils) which is supposed to be free of additional dependencies.

Hence, here it is, maybe it's also of interest for you:
https://developer.berlios.de/projects/libcfp/

That's the final program:
https://developer.berlios.de/projects/qsldcalc/

Any opinions, comments and hints for improvements are always welcome ;)


Keep up the good work and
merry christmas,
Ingo.




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