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A python converter for Chemical Table Files.

  • Free software: BSD 2-Clause License

Installation

pip install chemfileconverter

You can also install the in-development version with:

pip install https://github.com/CollinStark/chemfileconverter/archive/master.zip

Documentation

https://chemfileconverter.readthedocs.io/

Development

To run all the tests run:

tox

Note, to combine the coverage data from all the tox environments run:

Windows

set PYTEST_ADDOPTS=--cov-append
tox

Other

PYTEST_ADDOPTS=--cov-append tox