Skip to content

adding release notes for v1.0.0 #333

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.

Sign up for GitHub

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

Open
wants to merge 1 commit into
base: master
Choose a base branch
from
Open

adding release notes for v1.0.0 #333

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
160 changes: 160 additions & 0 deletions refl1d-1.0.0-notes.md
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,160 @@
# Refl1d v0.8.16 to v1.0.0 - Major Changes Summary

## Architecture & Code Modernization
- **Dataclass Refactor**: Complete restructuring of class definitions using Python dataclasses for serialization
- **Project Restructuring**: Major reorganization of the codebase layout and directory structure
- **Code Quality**: Added ruff linting, pre-commit hooks, and comprehensive code formatting across the entire project
- **Bumps 1.x Compatibility**: Updated to be compatible with the latest major release of the bumps fitting library

## Web Interface & Visualization
- **Webview GUI**: New web-based user interface, replacing the traditional (WXPython) desktop app, supporting
- remote server on HPC with local client in browser
- local server with browser client, like traditional desktop app
- multiple simultaneous clients to same server
- multiple simultaneous servers on same machine
- **Plotly Plotting**: Re-implemented core plots in plotly.js for web-based interactivity
- **Custom Plots**: Added ability to create and display custom plots in models
- **Interactive Profile Uncertainty**: The `align.py` script is replaced with an interactive panel in the webview
- **Model Builder**: Added a simple visual model builder interface for constructing reflectometry models

## Fitting & Analysis Improvements
- **Enhanced Magnetic Support**:
- Free magnetism interface enhancements
- Fixed magnetic amplitude calculations and parameter handling
- **Oversampling Enhancements**: Improved Q-space oversampling for polarized neutron probes with configurable regions

## Data Handling & Compatibility
- **ORSO File Support**: Now able to load ORSO (Open Reflectometry Standards Organisation) data files
- **Serialization Improvements**: Better handling of dataclass and functional profile serialization
- **Duplicate Q Values**: Now supports datasets with duplicate Q values


## Installation & Distribution
- **Binary Installers**: New automated binary installer generation for easier deployment, including signed binaries for MacOS
- **Version Management**: Switch to versioningit for automatic version numbering from git tags
- **Python 3.13 Support**: Added compatibility with the latest Python version
- **Pure Python Package**: Transitioned to a pure Python package using numba for performance, removing the need for C-extensions

## CLI & Jupyter Integration
- **Webview CLI Options**: Unified command-line interface for interactive and batch-mode operations
- **Jupyter Integration**: Direct method for starting refl1d webview server from Jupyter notebooks


## All Pull Requests: Details
* Dataclass material refactor by @bmaranville in https://github.com/reflectometry/refl1d/pull/160
* Webview: separate API methods from server logic by @bmaranville in https://github.com/reflectometry/refl1d/pull/162
* [In development] Add simple builder by @mdoucet in https://github.com/reflectometry/refl1d/pull/164
* Remove ordering code and add tab and enter updates by @mdoucet in https://github.com/reflectometry/refl1d/pull/165
* Serialize stdlib dataclasses by @bmaranville in https://github.com/reflectometry/refl1d/pull/166
* Fix calc_Q for shared theta_offset by @bmaranville in https://github.com/reflectometry/refl1d/pull/175
* use separate rho_M_para and rho_M_perp profiles during contract_mag by @bmaranville in https://github.com/reflectometry/refl1d/pull/173
* Webview by @pkienzle in https://github.com/reflectometry/refl1d/pull/181
* Add ruff, pre-commit, and format existing files by @mdoucet in https://github.com/reflectometry/refl1d/pull/184
* Some cleanup by @glass-ships in https://github.com/reflectometry/refl1d/pull/183
* Get version number from tag using versioningit by @backmari in https://github.com/reflectometry/refl1d/pull/188
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/191
* update Zenodo badge to generic version by @bmaranville in https://github.com/reflectometry/refl1d/pull/192
* Docs build by @bmaranville in https://github.com/reflectometry/refl1d/pull/194
* remove approximation shortcut for magnetic_amplitude by @bmaranville in https://github.com/reflectometry/refl1d/pull/196
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/195
* Custom plots rebase by @bmaranville in https://github.com/reflectometry/refl1d/pull/199
* Monthly pre commit update by @bmaranville in https://github.com/reflectometry/refl1d/pull/200
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/202
* removing obsolete and non-working actions by @bmaranville in https://github.com/reflectometry/refl1d/pull/204
* Update release actions by @bmaranville in https://github.com/reflectometry/refl1d/pull/203
* switch to using defaults for versioningit by @bmaranville in https://github.com/reflectometry/refl1d/pull/209
* fix repr of LayerLimit and MagneticLayerLimit in flayer.py by @bmaranville in https://github.com/reflectometry/refl1d/pull/207
* remove getstate and setstate from Stack, and base argument from init by @bmaranville in https://github.com/reflectometry/refl1d/pull/201
* Windows shell launcher by @bmaranville in https://github.com/reflectometry/refl1d/pull/208
* add flags for enabling optional persistent path from shortcuts by @bmaranville in https://github.com/reflectometry/refl1d/pull/211
* Make LICENSE.txt consistent with documentation by @bmaranville in https://github.com/reflectometry/refl1d/pull/213
* re-enable oversampling on PolarizedQProbe by @bmaranville in https://github.com/reflectometry/refl1d/pull/214
* Profile uncertainty export with best by @bmaranville in https://github.com/reflectometry/refl1d/pull/215
* Model setstate shim by @bmaranville in https://github.com/reflectometry/refl1d/pull/216
* calculate the profile uncertainty in a thread by @bmaranville in https://github.com/reflectometry/refl1d/pull/222
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/217
* Formatting changes, update imports, other minor changes by @glass-ships in https://github.com/reflectometry/refl1d/pull/227
* Add frontend linting by @glass-ships in https://github.com/reflectometry/refl1d/pull/228
* allow background parameter of Probe to be negative by @bmaranville in https://github.com/reflectometry/refl1d/pull/218
* Update model.ts by @glass-ships in https://github.com/reflectometry/refl1d/pull/230
* Build against current bumps source (after bumps PR #188) by @bmaranville in https://github.com/reflectometry/refl1d/pull/233
* show y axis of reflectivity plots in scientific notation (10 to a power) by @bmaranville in https://github.com/reflectometry/refl1d/pull/234
* update bumps to 1.0.0a9 by @glass-ships in https://github.com/reflectometry/refl1d/pull/235
* Restructure and Reorganize project by @glass-ships in https://github.com/reflectometry/refl1d/pull/185
* Remove client cdn by @bmaranville in https://github.com/reflectometry/refl1d/pull/210
* fasta is part of periodictable and isn't needed in refl1d by @pkienzle in https://github.com/reflectometry/refl1d/pull/238
* Define global in vite.config.js by @glass-ships in https://github.com/reflectometry/refl1d/pull/239
* MAINT: remove unused variable by @andyfaff in https://github.com/reflectometry/refl1d/pull/240
* Add Refl1D migration between schemas by @bmaranville in https://github.com/reflectometry/refl1d/pull/241
* Add note about setting up pre-commit by @glass-ships in https://github.com/reflectometry/refl1d/pull/243
* Pytest plain asserts by @bmaranville in https://github.com/reflectometry/refl1d/pull/244
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/236
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/246
* Fix and test loading ORSO files by @jmborr in https://github.com/reflectometry/refl1d/pull/251
* Test types by @glass-ships in https://github.com/reflectometry/refl1d/pull/231
* Adjust imports in the wx gui to the new directory layout by @pkienzle in https://github.com/reflectometry/refl1d/pull/255
* Fix webview reflectivity ylabels by @bmaranville in https://github.com/reflectometry/refl1d/pull/254
* Merge FreeMagnetismInterface feature enhancement by @acaruana2009 in https://github.com/reflectometry/refl1d/pull/232
* use uv to set up test environment by @bmaranville in https://github.com/reflectometry/refl1d/pull/259
* Aguide convention fix by @bmaranville in https://github.com/reflectometry/refl1d/pull/253
* Use new Generic bumps FitProblem by @bmaranville in https://github.com/reflectometry/refl1d/pull/258
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/256
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/263
* Migrate builder fitproblem by @bmaranville in https://github.com/reflectometry/refl1d/pull/264
* Binary installers by @bmaranville in https://github.com/reflectometry/refl1d/pull/265
* Use git hash rather than branch name in the jupyter notebook header by @pkienzle in https://github.com/reflectometry/refl1d/pull/260
* Automatically hide uncertainty and custom plot tabs when they are not available by @bmaranville in https://github.com/reflectometry/refl1d/pull/267
* Webview cli fit options by @pkienzle in https://github.com/reflectometry/refl1d/pull/266
* support plotting ProbeSet data + theory in webview by @bmaranville in https://github.com/reflectometry/refl1d/pull/268
* automatically create ProbeSet object from multiple probes by @bmaranville in https://github.com/reflectometry/refl1d/pull/269
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/271
* Do oversampling on union of Q in PolarizedNeutronProbe by @bmaranville in https://github.com/reflectometry/refl1d/pull/274
* Bump astral-sh/setup-uv from 5 to 6 by @dependabot[bot] in https://github.com/reflectometry/refl1d/pull/275
* Fix profile uncertainty plot (for new bumps fitting.fit_state) by @bmaranville in https://github.com/reflectometry/refl1d/pull/277
* Fix QProbe serialization by @bmaranville in https://github.com/reflectometry/refl1d/pull/282
* Allow duplicate Q values in probes by @bmaranville in https://github.com/reflectometry/refl1d/pull/278
* Show refl1d version instead of bumps version from refl1d --version by @bmaranville in https://github.com/reflectometry/refl1d/pull/281
* Add python 3.13 to test matrix by @bmaranville in https://github.com/reflectometry/refl1d/pull/286
* Fix serialization of ProbeSet by @bmaranville in https://github.com/reflectometry/refl1d/pull/285
* remove vfs from refl1d since it is no longer in bumps by @pkienzle in https://github.com/reflectometry/refl1d/pull/289
* remove ZipFS loader that relied on now-removed bumps.vfs by @bmaranville in https://github.com/reflectometry/refl1d/pull/291
* Fix plot option for oversampling helper tool by @bmaranville in https://github.com/reflectometry/refl1d/pull/293
* install the fitplugin to bumps before starting cli by @bmaranville in https://github.com/reflectometry/refl1d/pull/290
* Fix breakage discovered by new pytest by @pkienzle in https://github.com/reflectometry/refl1d/pull/297
* Use trimmed MCMC for profile uncertainty plot by @pkienzle in https://github.com/reflectometry/refl1d/pull/298
* add method for starting refl1d webview server from jupyter by @bmaranville in https://github.com/reflectometry/refl1d/pull/299
* bugfix: cli flags converted to dashes but not updated in distributables by @bmaranville in https://github.com/reflectometry/refl1d/pull/300
* disable prettier-plugin-jsdoc until it is fixed by @bmaranville in https://github.com/reflectometry/refl1d/pull/302
* Fix model builder for get_model returning string by @bmaranville in https://github.com/reflectometry/refl1d/pull/304
* Install webview dependencies by default by @bmaranville in https://github.com/reflectometry/refl1d/pull/303
* Dataview panel cleanup by @bmaranville in https://github.com/reflectometry/refl1d/pull/308
* pass socket object as prop to main app by @bmaranville in https://github.com/reflectometry/refl1d/pull/284
* add serializable attributes to capture critical edge oversampling by @bmaranville in https://github.com/reflectometry/refl1d/pull/250
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/279
* Improve serialization of functional profiles by @pkienzle in https://github.com/reflectometry/refl1d/pull/276
* Fix running client in dev mode by @bmaranville in https://github.com/reflectometry/refl1d/pull/307
* use public api accessor probe.calc_Q instead of private _calc_Q by @bmaranville in https://github.com/reflectometry/refl1d/pull/305
* Convert data=(R,dR) to R=R, dR=dR for Probe by @pkienzle in https://github.com/reflectometry/refl1d/pull/314
* Bump actions/checkout from 4 to 5 by @dependabot[bot] in https://github.com/reflectometry/refl1d/pull/319
* Bump actions/download-artifact from 4 to 5 by @dependabot[bot] in https://github.com/reflectometry/refl1d/pull/316
* Fix profile uncertainty plots not updating by @bmaranville in https://github.com/reflectometry/refl1d/pull/320
* Check parameter name before updating in magnetism by @pkienzle in https://github.com/reflectometry/refl1d/pull/313
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/315
* Enable batch align and contour export by @pkienzle in https://github.com/reflectometry/refl1d/pull/317
* Fix control names in Profile Uncertainty panel by @bmaranville in https://github.com/reflectometry/refl1d/pull/321
* Allow vector parameters for functional layers by @pkienzle in https://github.com/reflectometry/refl1d/pull/311
* Add cloudpickle test to test_stack by @pkienzle in https://github.com/reflectometry/refl1d/pull/312
* Bump actions/upload-pages-artifact from 3 to 4 by @dependabot[bot] in https://github.com/reflectometry/refl1d/pull/322
* [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectometry/refl1d/pull/323
* toggle background in data vs theory curve by @hoogerheide in https://github.com/reflectometry/refl1d/pull/309
* Add oversampled_regions to PolarizedNeutronProbe and PolarizedQProbe by @bmaranville in https://github.com/reflectometry/refl1d/pull/310
* Fix error shown at startup of client when no reflectivity data to plot by @bmaranville in https://github.com/reflectometry/refl1d/pull/325
* Refactor build_client script by @glass-ships in https://github.com/reflectometry/refl1d/pull/330

## New Contributors
* @backmari made their first contribution in https://github.com/reflectometry/refl1d/pull/188
* @pre-commit-ci[bot] made their first contribution in https://github.com/reflectometry/refl1d/pull/191
* @jmborr made their first contribution in https://github.com/reflectometry/refl1d/pull/251
* @dependabot[bot] made their first contribution in https://github.com/reflectometry/refl1d/pull/275

**Full Changelog**: https://github.com/reflectometry/refl1d/compare/v0.8.16...v1.0.0
Loading