Revision 1f415c46dba1e27d0ce0e4cd248e60a2d9b83737 authored by Udit Gupta on 12 July 2019, 03:41:32 UTC, committed by Udit Gupta on 12 July 2019, 03:41:32 UTC
1 parent 16ef12d
README.md
Reaction Network Viewer (ReNView)
=================================
The **Re**action **N**etwork **View**er (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifying dominant reaction pathways and mechanism reduction.
Documentation
-------------
See our [documentation page](https://github.com/VlachosGroup/ReNView/wiki/Manual) for examples, and equations used.
Developer
---------
Udit Gupta (ugupta@udel.edu)
Dependencies
------------
- Python3
- [Numpy](http://www.numpy.org/) : Used for vector and matrix operations
- [Pandas](https://pandas.pydata.org/): Used to import data from input files and process headers
- [Graphviz](https://www.graphviz.org/): Used to generate visualizations from text files
Getting Started
---------------
1. Install using pip::
> pip install --user renview
Files for using the Visualization tool
--------------------------------------
1) species_comp.out - A species composition file specifying species name, phase, and the elemental composition of the molecule. In case of heterogeneous systems, surface coverages can also be provided for node coloring.
2) reaction_rates.out - A reactions file specifying the forward, reverse, net rate, partial equilibrium index, and reaction string. The reaction string should contain species names as mentioned in the species_comp.out file.
Features in the visualization tool:
-----------------------------------
- Network Visualization
- Species Visualization
- Legend generation
License
-------
This project is licensed under the GNU LGPL License - see the [LICENSE.md](https://github.com/VlachosGroup/ReNView/blob/master/LICENSE.md) file for details
Publications
------------
- U. Gupta and D.G Vlachos, "Reaction Network Viewer (ReNView): An open source framework for reaction path visualization of chemical reaction systems" (submitted)
Contributing
------------
If you have a suggestion or find a bug, please post to our Issues page with
the enhancement or bug tag respectively.
Finally, if you would like to add to the body of code, please:
- fork the development branch
- make the desired changes
- write the appropriate unit tests
- submit a pull request.
Questions
---------
If you are having issues, please post to our Issues page with the
help wanted or question tag. We will do our best to assist.
Funding
-------
This material is based upon work supported by the Department of Energy's Office
of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under
Award Number DE-EE0007888-9.5.
Special Thanks
--------------
- Gerhard Wittreich (testing)
- Hilal Ezgi Toraman (testing)
- Jonathan Lym (testing)
Computing file changes ...