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* assure refl1d actually runs from the GUI * don't fail on codecov upload
* initial implementation * set `disable` status on relevant sub/super-phase parameters * fixed tests * fixes after CR * fixed tests
* initial implementation of the mighell algorithm for data with zero variances * don't fail on codecov upload * fixed chi2 reporting, added MD file with description * unit test update * added docs about Mighell * updated easyscience branch, deleted script * chi -> chi2 * use develop for core
* initial commit up to and including `pixi run check` step * fixes * updates to pyproject.toml * remade __init__.py * minor fix * a few more fixes * Apply templates with docstrings fixes * Add missing favicon and update SVG assets * moved docs for mkdocs * make "pixi run mkdocs build" and "pixi run nonpy-format-check" work together * try using absolute paths for the wheel * minor fixes * refactor md file headers for docs * minor CR changes * linting * code review fixes * CR fixes * proper globbing * remove __version__ --------- Co-authored-by: Andrew Sazonov <andrew.sazonov@icloud.com>
* initial commit * PR review * more tests
* initial commit with examples * ruff format * refactor core modifications to live in reflectometry lib only * modified the notebook a bit * refactored MCMC sampling to easyscience module * added pass-through for cancellation and total number of calculations * silly typo * yet another linting * moved the notebook to the correct location and fixed the formatting * added more initial arguments to sample. Added unit tests * prettify charts. Updated notebook * fixed issue with the notebook * move file fetch to reflectometry/data * PR review fixes * be careful with small chains * ruff * try to use explicit dtype for Ubuntu * another attempt at fixing failing test * better corner and distribution plots * updates to the Bayesian API after changes to core * use bayesian_extend * minor fixes * fix failing test * test against develop, so we can merge the PR * use mcmc_sample * fixed tests * minor notebook fix
* initial commit with examples * ruff format * refactor core modifications to live in reflectometry lib only * modified the notebook a bit * refactored MCMC sampling to easyscience module * added pass-through for cancellation and total number of calculations * silly typo * yet another linting * moved the notebook to the correct location and fixed the formatting * added more initial arguments to sample. Added unit tests * prettify charts. Updated notebook * fixed issue with the notebook * move file fetch to reflectometry/data * PR review fixes * be careful with small chains * ruff * try to use explicit dtype for Ubuntu * another attempt at fixing failing test * better corner and distribution plots * updated poitwise logic/notebook
* addressing #381 * minor docstring update
* moved to Sampler class from Core * reparent branch * fixed issue #367 (#382) * fixed issue #367 * disable automatic parallelization for windows * Changes after code review * added test * arviz fix * try to fix prettier issues * updated notebook * linting * fixing #370 (#388) * reparent to develop * Core fixes pointwise (#387) * fixed pointwise treatment on file load * more tests
* try to fix failing test * another attempt
* initial version * added magnetic SLD profile * added magnetic parameters * code review comments addressed * code review fixes for Phase 2, added notebook * PR code review comments * fixed polarized file load issue * enable magnetic layers * new LayerMagnetism component * ruff * ruff on notebooks * bind calculator to model for performance * attempt at fixing package testing * package tests only on master * don't run ruff twice * code review fixes * added polarized fitting example/notebook * fixed default sample generation * improved wording in the magnetic fitting notebook * move the most expensive test to integration
* initial version * added magnetic SLD profile * added magnetic parameters * ruff * code review comments addressed * code review fixes for Phase 2, added notebook * ruff * PR code review comments * fixed polarized file load issue * enable magnetic layers * new LayerMagnetism component * ruff * ruff on notebooks * bind calculator to model for performance * attempt at fixing package testing * package tests only on master * don't run ruff twice * code review fixes * added polarized fitting example/notebook * fixed default sample generation * improved wording in the magnetic fitting notebook * move the most expensive test to integration * Improved constraints (#395) * improved handling of constraints * ruff * wording * additional cell in a notebook to showcase the new way of doing constraints * fixed notebook * initial checkin * .bounds -> min, max * updates so the code is self-contained and doesn't depend on changes to core * Code review comments addressed * Updated docs (#398) * move everything to MKDocs minor updates/fixes after code review * ruff fix for notebook * Fix broken conflict resolutions from develop merge The merge of develop (2042778) left two files with damaged conflict resolutions: magnetism.ipynb gained a corrupt hybrid cell (invalid notebook JSON, duplicate cell id) and project.py gained a duplicated copy of the spin-asymmetry method block with an orphaned method body. Both files are restored to the branch-side version, which already contained everything develop had for them. Co-Authored-By: Claude Fable 5 <noreply@anthropic.com> * code review issues addressed * removed explicit EasyCore constraints factory reliance --------- Co-authored-by: Claude Fable 5 <noreply@anthropic.com>
* initial commit * code review fixes * more unit tests for orso functionality
* enable SLD dependence on material data * extending methods for use in ERA * code review issues addressed * ruff * make molecular weight a descriptor
* Removed DataStore * ruff on CHANGELOG * ruff
rozyczko
added
[scope] enhancement
![github-actions[bot]](https://avatars.githubusercontent.com/in/15368?s=60&v=4){kind=small}
Resolved entirely in favour of develop ('ours' strategy). Master's only
unique content is the legacy Sphinx docs tree and the bornagain calculator,
both deliberately removed on develop; every feature from master (Mighell
transform, release prep) is already present here.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## master #416 +/- ##
==========================================
+ Coverage 87.49% 94.57% +7.08%
==========================================
Files 46 54 +8
Lines 2790 5515 +2725
Branches 339 0 -339
==========================================
+ Hits 2441 5216 +2775
- Misses 263 299 +36
+ Partials 86 0 -86
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Polarized reflectometry
Constraints
Model & sample
ORSO
Fitting infrastructure
DataStore / ProjectData deleted from easyreflectometry.data: use Project
BornAgain calculator removed entirely
Project.save_as_json / create / load_from_json now raise (FileExistsError, ValueError, OSError, FileNotFoundError) instead of printing; save_as_json is atomic
include_magnetism = True on refnx now raises NotImplementedError
Parameter.bounds = (lo, hi) → .min / .max
CI/CD and Automation Enhancements:
Documentation and Project Guidelines:
Code Quality and Metrics Tracking: