It analyses the ASCII representation of a chemical formula. For every element it extracts the following characteristics:
- symbol name (first letter in upper case, all following letters in lower case)
- nucleon number (is isotope or not, optional, integer number)
- coefficient (optional, floating point number unequal 1.0)
It is written in C++, analyses syntax only and does not know anyhing about semantics (physical characteristics). It is intended to be independent of additional external libraries at build or runtime (namespace ::std:: only).
On github: https://github.com/ibressler/libcfp
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API Documentation if you want to use this library in your own application.
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Developer Documentation If you want to contribute to the library itself or want to know how it works.
CMake is used for building the library on various platforms. Just run cmake to get a list of available generators (which generate build environment specific project files). On a common Linux system it should be like that:
cd <libcfp-directory>
mkdir build
cd build
cmake ..
make
Afterwards, the libraries (dynamic and static) can be found in lib/
For advanced build settings (debug symbols, optimization, warnings, etc ...), adjust CMakeLists.txt to your needs.
In a MSYS shell on a Windows combined with MinGW, you may have to specify a Makefile generator:
cmake .. -G "MSYS Makefiles"
The selects the cmake generator for Makefiles used in a MSYS shell.
This library is released under the GNU Lesser General Public License (LGPL). For further information see LICENSE
Copyright (c) 2010-2011 Ingo Bressler (libcfp at ingobressler.net)
It was started by Ingo Bressler (libcfp at ingobressler.net) at the Stranski-Laboratory for Physical and Theoretical Chemistry of the Technische Universität Berlin in 2009.