AChemKit.tools.chem_to_dot — AChemKit v0.1 documentation

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# AChemKit.tools.chem_to_dot

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.

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