9.6. Generating Flux Diagrams

The script, generateFluxDiagrams.py, will create a movie out of a completed RMG model that shows interconnected arrows between species that represent fluxes.

To use this method, you just need a Chemkin input file and an RMG species dictionary. The syntax is as follows:

python generateFluxDiagram.py [-h] [--java] [--no-dlim] [-s SPECIES] [-f]
                              [-n N] [-e N] [-c TOL] [-r TOL] [-t S]
                              INPUT CHEMKIN DICTIONARY [CHEMKIN_OUTPUT]

Positional arguments:

INPUT                  RMG input file
CHEMKIN                Chemkin file
DICTIONARY             RMG dictionary file
CHEMKIN_OUTPUT         Chemkin output file

Optional arguments:

-h, --help             show this help message and exit
--java                 process RMG-Java model
--no-dlim              Turn off diffusion-limited rates
-s DIR, --species DIR  Path to folder containing species images
-f, --foreign          Not an RMG generated Chemkin file (will be checked for duplicates)
-n N, --maxnode N      Maximum number of nodes to show in diagram
-e N, --maxedge N      Maximum number of edges to show in diagram
-c TOL, --conctol TOL  Lowest fractional concentration to show
-r TOL, --ratetol TOL  Lowest fractional species rate to show
-t S, --tstep S        Multiplicative factor to use between consecutive time points

This method is also available to use with a web browser from the RMG website: Generate Flux Diagram.