-
Notifications
You must be signed in to change notification settings - Fork 20
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Added new Bragg peak functional and auto Brillouin zone determination #42
Conversation
Brilluoin zone
You'll need to run |
Your version of black must be outdated |
I used black 22.1.0 |
I used the same version as well. For some reason when I last ran it over the code base it added spaces next to exponentiation symbols, but then when I ran it again, it removed those same spaces, so not too sure what happened. I'll look into it. |
Release 2.1.11 is underway! might take up to 24h to get conda-forge to notice, but sometimes it's only a few hours |
Last workflow (Continuous integration #157) failed at release stage, some issue uploading to PyPi. |
Yep I created a new tag, should work this time |
conda-forge has picked up the changes. It might be installable now |
bragg_peaks
fails to identify all peaks in newly found datasets. New function :func:bragg_peaks_persistence
uses the ideas of 2D persistence (see function documentation) to determine all local maxima. Thresholding the peak prominence allows for looser or stricter tolerances for peak determination, allowing more flexibility than the crossed phase correlation approach.brillouin_zones
which allows for the automatic determination of BZ projections in the given 2D geometry based on the Voronoi regions of the Bragg peaks. Class methods allow for determination of entirely visible reflections, visualization of these BZ boundaries, as well as determination of equivalent reduced scattering vectors for single crystal datasets.CHANGELOG.rst
updated.bragg_peaks_persistence
test_indexing_persistence
andtest_brillouin
to ensure validity