Added explicit testing with python 3.10.
Cleaned up unused imports.
Updated some modules which were using deprecated code.
This release brings no changes, and only fixes the conda-forge package.
Fixed an issue where
gaussian()would trip on a full-width at half-maximum of 0.
Fixed an issue where the first stage of the dual-tree complex wavelet transform was not shifted properly (#36).
Releases are now automatically performed using Github Actions
It is now possible to install all the dependencies required to use
diffshow()using the following installation option:
pip install scikit-ued[diffshow].
Increased the reliability of
bragg_peaks()to distinguish between noise and Bragg peaks.
Added the function
bragg_peaks()to determine the location of single-crystal diffraction peaks in an image.
Fixed deprecation warnings regarding NumPy’s dtypes.
autocenter()routine, to automatically find the center of diffraction patterns. This works for both single-crystal and polycrystalline patterns.
This release brings major infrastructure improvements, which in turn have allowed to squash some bugs.
Migration of continuous integration testing to GitHub Actions.
Migration of test infrastructure to pytest.
Tests are now included in source distributions.
Code snippets in documentation are now tested for correctness.
Fixed an issue where the detected shift in skued.align and skued.ialign might be partial (i.e. only shift in one direction).
Fixed an issue with packaging data on Linux.
The fast argument to skued.align and skued.ialign has been removed. It was previously-marked as deprecated.
Added pre-emptive support for Python 3.10+ by removing deprecations.
Increased the precision of the pseudo-voigt approximation in skued.pseudo_voigt.
Fixed many issues regarding documentation being out-of-date.
scikit-ued is being re-licensed from the MIT license to the GPLv3 license.
The fast argument to skued.align and skued.ialign has been deprecated. Its value has no effect anymore.
Official support for Python 3.9.
Removed explicit requirement for the tifffile package.
Added skued.kinematicsim, a simple function to compute electron diffraction patterns from crystals structures in the kinematic approximation (i.e. thin samples).
Added the skued.RingArcSelection area.
Various documentation improvements and fixes.
Added support for crystals.ElectronicStructure. This requires crystals version 1.1.0 and up.
Added the function with_irf, which allows to modify fitting functions to include the effects of instrument response.
Various documentation fixes.
Added the Selection.mpatch method to draw patches on Matplotlib plots.
Added the spectrum_cmap Matplotlib colormap, available under the name “spectrum”.
Fixed an issue where diffracted intensities were not correctly scaled in potential_map.
Added real-time pixel value and cursor position to
Added indices_to_text, a plotting utility function to render Miller indices to Mathjax/LaTeX-style text (Matplotlib-compatible).
skued.diffshowwill temporarily switch PyQtGraph’s image axis order to the row-major, which is a saner default.
Added skued command-line utilities. Images can be shown (with interactive viewer) using
skued diffshow [path]. Crystal information can be determined using
skued crystinfo [path].
Fixed an issue where a typo in
electron_velocitywould raise an exception.
Due to a conflict between scikit-image and scikit-ued conventions, some breaking changes are required. Image conventions will now follow that of scikit-image. Most importantly:
Changed the convention on image masks to align with the scikit-image convention. Masks will be
Truefor valid pixels, and
Falseon invalid pixels.
We took the opportunity to make other breaking changes:
Broke off the
skued.structurepackage into its own library,
Removed masked_register_translation in favour of the new scikit-image implementation ported from scikit-ued.
Removed xcorr and mnxc as these were the backbone of masked_register_translation and are no longer needed.
Added aspherical electron form factor parametrization from Zheng et al. 2009.
diff_registerin favor of an analog of scikit-image’s register_translation and masked_register_translation.
Removed powder_center due to unpredictable performance.
Removed calibrate_scattvector, which was deprecated.
Removed time_shift and time_shifts, which were deprecated.
Removed shift_image in favor of scipy.ndimage.shift.
bounded_reflections has been removed in favor of
Crystal.bounded_reflectionsin the crystals library (version >= 0.6.4)
We have also added some features:
Added the patterson function to calculate Patterson pair-pair distribution functions from polycrystalline diffraction patterns.
Added the detector_scattvectors function to determine the wavevectors visible on a detector, in transmission, based on experimental geometry.
Added time-series fitting.
Added support for Gatan Digital Micrograph image formats DM3 and DM4
available_first_stage_filtershave been added to list available baseline-removal filters.