Produces a .dot output from a provided .chem format input
The output files in .dot format are suitable for future processing using Graphviz tools. In particular, they are constructed using AChemKit.utils.simpledot.SimpleDot.
For information in .chem files see .chem Format.
Usage: chem_to_dot.py [options]
Options:
-h, --help Show a help message and exit -i INFILE, --infile=INFILE Read from INFILE (if ommited, use stdin) -o OUTFILE, --outfile=OUTFILE Write to OUTFILE in .chem format (if ommited, use stdout) -n NAMES, --names Style of molecular species naming. One of ‘full’, ‘id’, ‘blank’
Classes
ReactionNetwork(rates) | A dictionary of reactions where each key is a reaction composed of (reactants, products) and each value is the rate. |