Metadata-Version: 1.2
Name: pdCIFplotter
Version: 0.0.6
Summary: A program for visualising diffraction data in pdCIF format.
Home-page: https://github.com/rowlesmr/pdCIFplotter
Author: Matthew Rowles
Author-email: rowlesmr@gmail.com
License: Apache-2.0
Project-URL: Documentation, https://pdcifplotter.readthedocs.io/en/latest/
Project-URL: Changelog, https://pdCIFplotter.readthedocs.io/en/latest/changelog.html
Project-URL: Issue Tracker, https://github.com/rowlesmr/pdCIFplotter/issues
Description: ========
        Overview
        ========
        
        
        
        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
        
        Pre-installation
        ================
        
        If you are on Windows, you must read this step. If you are on Linuz, you can continue.
        
        ``pdCIFplotter`` requires ``PyCifRW >= 4.4.3``. If you install ``PyCifRW`` from `PyPI <https://pypi.org/>`_ via ``pip``, then you will also need to compile the included C modules. To do so requires `Microsoft Visual C++ 14.0 or greater <https://visualstudio.microsoft.com/visual-cpp-build-tools/>`_. If you don't have this installed, or do not wish to install it, `precompiled wheel files are available <https://www.lfd.uci.edu/~gohlke/pythonlibs/#pycifrw>`_. You must download the wheel file corresponding to your Python installation.
        
        To obtain information about your Python installation, run the command::
        
        	python -VV
        
        An example output is `Python 3.9.4 (tags/v3.9.4:1f2e308, Apr  6 2021, 13:40:21) [MSC v.1928 64 bit (AMD64)]`, showing that this is 64 bit Python 3.9.
        
        Using ``pip`` version 19.2 or newer, install your downloaded wheel file as::
        
        	pip install c:\path\to\file\name_of_file.whl
        
        This should install ``PyCifRW``, and you can move on to the next step. If you encounter any issues in the installation,
        please lodge an `issue <https://github.com/rowlesmr/pdCIFplotter/issues>`_.
        
        
        Installation
        ============
        
        To install the release version of ``pdCIFplotter`` from PyPI::
        
            pip install pdCIFplotter
        
        You can also install the in-development version from GitHub with::
        
            pip install https://github.com/rowlesmr/pdCIFplotter/archive/master.zip
        
        Quick usage
        ===========
        
        To run pdCIFplotter as a standalone program::
        
            python -m pdCIFplotter
        
        or::
        
        	pdcifplotter
        
        Documentation
        =============
        
        https://pdCIFplotter.readthedocs.io/en/latest/
        
        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:
        
        .. list-table::
            :widths: 10 90
            :stub-columns: 1
        
            - - Windows
              - ::
        
                    set PYTEST_ADDOPTS=--cov-append
                    tox
        
            - - Other
              - ::
        
                    PYTEST_ADDOPTS=--cov-append tox
        
        
        Changelog
        =========
        
        0.0.6 (2021-12-09)
        ------------------
        
        * Can normalise intensities to counts from provided weights or errors; possible in single, stack, and surface
        * hkl ticks labelled by phase name, if present, else, phase id: now including surface plot.
        * (ongoing) Refactoring of plot_cif
        
        
        0.0.5 (2021-11-16)
        ------------------
        
        * Better hkl checkbox checking
        * Doesn't crash if CIF with no diffraction pattern is loaded
        * Gracefully handles NANs in data when calculating hkl tick offsets
        * Datablock names replaced with block_id values on single plot title and dropdown data box
        * hkl ticks labelled by phase name, if present, else, phase id.
        * Large refactoring of parse_cif
        
        
        0.0.4 (2021-11-11)
        ------------------
        
        * Added hkl ticks to stack plot
        * Enabled hkl ticks to be plotted above the diffraction patterns
        
        
        0.0.3 (2021-11-10)
        ------------------
        
        * Separated GUI and plotting code
        * Fixed crash on changing to surface tab before opening CIF
        
        
        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.
        
Keywords: diffraction,X-ray,neutron,synchrotron,powder diffraction,CIF,crystallography
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Operating System :: Unix
Classifier: Operating System :: POSIX
Classifier: Operating System :: Microsoft :: Windows
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Utilities
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.6
