A program for visualising diffraction data in pdCIF format.
Project description
A program for the visualisation of diffraction data in pdCIF format.
Crystallographic Information Framework (CIF; https://www.iucr.org/resources/cif) files are a way of storing crystallographic information in a standard human- and machine-readable format. This particular program is focussed on visualising powder diffraction data stored in CIF format, and, in particular, serial or in situ/operando data.
Free software: Apache Software License 2.0
Installation
pip install pdCIFplotter
You can also install the in-development version from GitHub with:
pip install https://github.com/rowlesmr/pdCIFplotter/archive/master.zip
Documentation
Development
This isn’t fully implemented yet.
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 |
Changelog
0.0.2 (2021-11-07)
Update install requirements - mplcursors 0.5 is now available, rather than installing from git.
Can now launch from command line with just > pdcifplotter
0.0.1 (2021-11-06)
Update install requirements and provided prompting to user on installing packages not available on PyPi.
0.0.0 (2021-11-05)
First release on PyPI.
Project details
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