Metadata-Version: 2.1
Name: reciprocalspaceship
Version: 0.9.3
Summary: Tools for exploring reciprocal space
Home-page: https://hekstra-lab.github.io/reciprocalspaceship/
Author: Kevin M. Dalton, Jack B. Greisman
Author-email: kmdalton@g.harvard.edu, greisman@g.harvard.edu
License: MIT
Project-URL: Bug Tracker, https://github.com/Hekstra-Lab/reciprocalspaceship/issues
Project-URL: Documentation, https://hekstra-lab.github.io/reciprocalspaceship/
Project-URL: Source Code, https://github.com/Hekstra-Lab/reciprocalspaceship
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Programming Language :: Python
Requires-Python: >3.6
Requires-Dist: gemmi (>=0.4.2)
Requires-Dist: pandas (<1.2,>=1.1.0)
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: ipython
Provides-Extra: dev
Requires-Dist: sphinx ; extra == 'dev'
Requires-Dist: sphinx-rtd-theme ; extra == 'dev'
Requires-Dist: nbsphinx ; extra == 'dev'
Requires-Dist: sphinx-panels ; extra == 'dev'
Requires-Dist: sphinxcontrib-autoprogram ; extra == 'dev'
Requires-Dist: jupyter ; extra == 'dev'


``reciprocalspaceship`` provides a ``pandas``-style interface for
analyzing and manipulating reflection data from crystallography 
experiments. Using this library, it is possible to interactively work 
with crystallographic data in Python, enabling easy integration  with 
modern scientific computing libraries. ``reciprocalspaceship`` is 
intended to support the rapid prototyping of new crystallographic methods 
and custom analyses while maintaining clear, reproducible, and performant 
code.

Features of this library include:

  - Crystallographically-aware ``pandas`` objects, datatypes, and syntax 
    that are familiar to Python users.
  - Convenient integration with `GEMMI <https://gemmi.readthedocs.io/en/latest/>`__ 
    to provide built-in methods and support for developing functions that 
    use space groups, unit cell parameters, and crystallographic symmetry 
    operations.
  - Support for reading and writing MTZ reflection files.


