RInChI (Reaction InChI) source code. Coded in C++ with a C and Python interface.
Overview of the most important folders in this repository.
+- doc/ Documentation.
+- INCHI-1-API/ InChI source code.
+- scripts/ Helper scripts.
+- src/ RInChI source code.
+- example_apps/ RInChI command line application.
+- rinchi_lib/ RInChI as shared library, for use in e.g. Python.
+- rinchi_ora_cartridge/ RInChI as plug-in for Oracle databases.
+- test/ Automated test suite.
RInChI uses InChI 1 as its foundation and so the InChI source code is included
in the INCHI-1-API folder. The INCHI-1-API folder is the result of running
scripts/download_inchi_source.sh
.
RInChI has been built with Visual Studio 2010 on Microsoft Windows and GCC on Linux. Tested platforms are Microsoft Windows 7 64-bit (32- and 64-bit builds), Debian 7.7 (32-bit and 64-bit builds) and Debian Wheezy Linux on Raspberry Pi (Arm v6 32-bit).
On Windows .SLN files are available. On Linux you can load the .pro project
files into QtCreator or use the provided Makefile-s generated by qmake. On Mac right now only local compile is available, use make -f Makefile-Macos
where available.
If any RInChI app requires special configuration before building, a BUILD.TXT file will be present in the app's directory.