Git Product home page Git Product logo

rinchi's Introduction

RInChI

RInChI (Reaction InChI) source code. Coded in C++ with a C and Python interface.

Contents

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.

Building

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.

rinchi's People

Contributors

janholstjensen avatar istvanori avatar gblanke02 avatar

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.