AChemKit.tools.chem_to_pdfΒΆ

Produces a .pdf output from a provided .chem format input

The output files in .pdf format produced using Graphviz tools. In particular, they are constructed using AChemKit.utils.simpledot.SimpleDot.

For information in .chem files see .chem Format.

Usage: chem_to_pdf.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 .pdf format (if ommited, use stdout)
-l LAYOUT, --layout=LAYOUT
 Graphviz layout to use (if ommited, use dot)

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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