auto-rxn 2023.7.0

Python package for running chemical reactions as defined by recipe files.

auto_rxn

Python package for running chemical reactions as defined by "recipe" files.

Credit for original design of this interface goes to Unni Kurumbail of the Herman's Group at University of Wisconsin-Madison Chemistry Department. https://github.com/ukurumbail/auto_rxn

installation

TODO

usage

auto_rxn is primarily a command-line Python application. Once hardware is configured, reactions can be run by passing a valid recipe_file on the command line.

$ auto_rxn run <recipe_file> --rxn_name "my cool reaction"

The rxn_name parameter is optional.

integrating hardware

auto_rxn has built-in hardware support for a few models of hardware, under the package auto_rxn.hardware. Beyond this, auto_rxn supports the Bluesky Hardware protocol standard.

recipe files

must have metadata:

• Control Point ID (e.g. auto_rxn:FakeMFC)

optional metadata

• control point name