{ "info": { "author": "YTB", "author_email": "student@g.harvard.edu", "bugtrack_url": null, "classifiers": [], "description": "[![Build Status](https://travis-ci.org/flamespeed/cs207-FinalProject.svg?branch=master)](https://travis-ci.org/flamespeed/cs207-FinalProject.svg?branch=master)\n[![Coverage Status](https://coveralls.io/repos/github/flamespeed/cs207-FinalProject/badge.svg?branch=master&maxAge=0)](https://coveralls.io/github/flamespeed/cs207-FinalProject?branch=master&maxAge=0)\n\n# Flamespeed\n\n## What is Flamespeed?\n\nFlamespeed is the measured rate of expansion of the flame front in a combustion reaction.\n\nIt is also an open-source Python library with object-orientated methods for chemical kinetics with the following core functionality:\n\n* API to import a database of elementary reactions in XML-format\n* Efficiently calculate reaction rates for systems of irreversible elementary chemical reactions\n* Output provided in format suitable for further analysis\n\nPotential **applications** for Flamespeed includes:\n\n* Validation of chemical phase input files\n* Input for solving ODEs for system of reactions\n* Input for machine learning methods (e.g. neural networks) that predict reaction types\n\n## Installation\n\nThere are two ways to install Flamespeed:\n\n* **Install Flamespeed from PyPI (recommended)**\n\n```bash\npip3 install flamespeed\n```\n\n* **Alternatively: Install Flamespeed form Github source**\n\nFirst, clone Flamespeed using `git`:\n\n```sh\ngit clone https://github.com/flamespeed/cs207-FinalProject.git\n```\nThen, `cd` to the root folder and run the install command:\n```sh\npython setup.py install\n```\n\nThe package **test suite** can be run as follows:\n\nFirst, `cd` to the flamespeed folder and then run pytest:\n```sh\ncd flamespeed\npytest\n```\n\n**Requirements:**\n* Python (>= 3.3)\n* NumPy (>= 1.8.2)\n* SciPy (>= 0.13.3)\n\n\n## Getting started\n\nImport the `chemkin` module in flamespeed, which is the main module to evaluate chemical reaction rates.\n\n```python\nfrom flamespeed import chemkin\n```\nInstantiate the reaction rates class and import reaction database in XML format. Example reaction files can be found in the `./data` directory within `flamespeed`.\n\n```python\na = chemkin.ReactionRate()\na.read_XML('./flamespeed/data/rxns_reversible.xml')\nprint(a)\n```\nNext, set the initial concentrations for each of the species included in the reaction and the temperature.\n\n```python\na.set_temp(750)\nx = [2.0, 1.0, 0.5, 1.0, 1.0, 1.5, 0.5, 1]\n```\nNow that all the input parameters have been specified the reaction rates for each of the species in the system can be determined as follows:\n\n```python\nr = a.get_reaction_rate(x)\nprint(r)\n```\n\n## Documentation\n\nTechnical detail regarding the chemical theory underlying the reaction rate calculations and detailed documentation of the relevant classes and methods included in the Flamespeed package can be found in the `docs` directory:\n\nhttps://github.com/flamespeed/cs207-FinalProject/tree/master/docs", "description_content_type": null, "docs_url": null, "download_url": "", "downloads": { "last_day": -1, 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