Releases: reflectometry/refl1d
Releases · reflectometry/refl1d
v1.0.1
What's Changed
- uses bumps v1.0.4 https://github.com/bumps/bumps/releases/tag/v1.0.4
- fix broken initialization of PolarizedQProbe by @bmaranville in #344
- always send the background and intensity values to plotter by @bmaranville in #347
- apply data_range to all columns, including T, dT, L, dL by @bmaranville in #331
- Add utility for converting simple models to python scripts by @bmaranville in #346
- Install client dependencies by default in
build_client.pyby @bmaranville in #348 - Threadpool mapper by @pkienzle in #352
- Try to fix DMG create issues with MacOS installer build by @bmaranville in #349
- remove references to pylab by @pkienzle in #359
- update to vite 8 (fast client builds) by @bmaranville in #366
Full Changelog: v1.0.0...v1.0.1
v1.0.1rc0
What's Changed
- use bumps v1.0.4rc0 by @bmaranville in #364
- Fix MPI session start errors (remove autosave from load_problem) by @bmaranville in bumps/bumps#412
- Fix inconsistencies between BumpsOptions and command line parser. by @pkienzle in bumps/bumps#417
- include resource files for wx gui by @bmaranville in bumps/bumps#410
- Use formatting from uncertainties package by @bmaranville in bumps/bumps#389
- Add checkpoint interval support to cli options by @pkienzle in bumps/bumps#416
- use numpy loadtxt to load dream state from MC (text) files by @bmaranville in bumps/bumps#415
Full Changelog: v1.0.1b0...v1.0.1rc0
v1.0.1b0
What's Changed
- Install client dependencies by default in
build_client.pyby @bmaranville in #348 - Threadpool mapper by @pkienzle in #352
- Try to fix DMG create issues with MacOS installer build by @bmaranville in #349
- remove references to pylab by @pkienzle in #359
- upgrade to bumps 1.0.4b0 by @bmaranville in #361
Full Changelog: v1.0.1a1...v1.0.1b0
v1.0.1a1
What's Changed
- Add utility for converting simple models to python scripts by @bmaranville in #346
Full Changelog: v1.0.1a0...v1.0.1a1
v1.0.1a0
What's Changed
- fix broken initialization of PolarizedQProbe by @bmaranville in #344
- always send the background and intensity values to plotter by @bmaranville in #347
- (fixes issue where reflectivity doesn't plot for new ModelBuilder models)
- apply data_range to all columns, including T, dT, L, dL by @bmaranville in #331
Full Changelog: v1.0.0...v1.0.1a0
v1.0.0
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.pyscript 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
What's Changed (all pull requests)
- Dataclass material refactor by @bmaranville in #160
- Webview: separate API methods from server logic by @bmaranville in #162
- [In development] Add simple builder by @mdoucet in #164
- Remove ordering code and add tab and enter updates by @mdoucet in #165
- Serialize stdlib dataclasses by @bmaranville in #166
- Fix calc_Q for shared theta_offset by @bmaranville in #175
- use separate rho_M_para and rho_M_perp profiles during contract_mag by @bmaranville in #173
- Webview by @pkienzle in #181
- Add ruff, pre-commit, and format existing files by @mdoucet in #184
- Some cleanup by @glass-ships in #183
- Get version number from tag using versioningit by @backmari in #188
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #191
- update Zenodo badge to generic version by @bmaranville in #192
- Docs build by @bmaranville in #194
- remove approximation shortcut for magnetic_amplitude by @bmaranville in #196
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #195
- Custom plots rebase by @bmaranville in #199
- Monthly pre commit update by @bmaranville in #200
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #202
- removing obsolete and non-working actions by @bmaranville in #204
- Update release actions by @bmaranville in #203
- switch to using defaults for versioningit by @bmaranville in #209
- fix repr of LayerLimit and MagneticLayerLimit in flayer.py by @bmaranville in #207
- remove getstate and setstate from Stack, and base argument from init by @bmaranville in #201
- Windows shell launcher by @bmaranville in #208
- add flags for enabling optional persistent path from shortcuts by @bmaranville in #211
- Make LICENSE.txt consistent with documentation by @bmaranville in #213
- re-enable oversampling on PolarizedQProbe by @bmaranville in #214
- Profile uncertainty export with best by @bmaranville in #215
- Model setstate shim by @bmaranville in #216
- calculate the profile uncertainty in a thread by @bmaranville in #222
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #217
- Formatting changes, update imports, other minor changes by @glass-ships in #227
- Add frontend linting by @glass-ships in #228
- allow background parameter of Probe to be negative by @bmaranville in #218
- Update model.ts by @glass-ships in #230
- Build against current bumps source (after bumps PR #188) by @bmaranville in #233
- show y axis of reflectivity plots in scientific notation (10 to a power) by @bmaranville in #234
- update bumps to 1.0.0a9 by @glass-ships in #235
- Restructure and Reorganize project by @glass-ships in #185
- Remove client cdn by @bmaranville in #210
- fasta is part of periodictable and isn't needed in refl1d by @pkienzle in #238
- Define global in vite.config.js by @glass-ships in #239
- MAINT: remove unused variable by @andyfaff in #240
- Add Refl1D migration between schemas by @bmaranville in #241
- Add note about setting up pre-commit by @glass-ships in #243
- Pytest plain asserts by @bmaranville in #244
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #236
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #246
- Fix and test loading ORSO files by @jmborr in #251
- Test types by @glass-ships in #231
- Adjust imports in the wx gui to the new directory layout by @pkienzle in #255
- Fix webview reflectivity ylabels by @bmaranville in #254
- Merge FreeMagnetismInterface feature enhancement by @acaruana2009 in #232
- use uv to set up test environment by @bmaranville in #259
- Aguide convention fix by @bmaranville in #253
- Use new Generic bumps FitProblem by @bmaranville in #258
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #256
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #263
- Migrate builder fitproblem by @bmaranville in #264
- Binary installers by @bmaranville in #265
- Use git hash rather than branch name in the jupyter notebook header by @pkienzle in #260
- Automatically hide uncertainty and custom plot tabs when they are not available by @bmaranville in #267
- Webview cli fit options by @pkienzle in #266
- support plotting ProbeSet data + theory in webview by @bmaranville in #268
- automatically create ProbeSet object from multiple probes by @bmaranville in #269
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in https://github.com/reflectom...
v1.0.0rc1
What's Changed
- Fix error shown at startup of client when no reflectivity data to plot by @bmaranville in #325
- Refactor build_client script by @glass-ships in #330
Full Changelog: v1.0.0rc0...v1.0.0rc1
v1.0.0rc0
What's Changed
- Add cloudpickle test to test_stack by @pkienzle in #312
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #323
- toggle background in data vs theory curve by @hoogerheide in #309
- Add oversampled_regions to PolarizedNeutronProbe and PolarizedQProbe by @bmaranville in #310
Full Changelog: v1.0.0b2...v1.0.0rc0
v1.0.0b2
What's Changed
- Convert data=(R,dR) to R=R, dR=dR for Probe by @pkienzle in #314
- Bump actions/checkout from 4 to 5 by @dependabot[bot] in #319
- Bump actions/download-artifact from 4 to 5 by @dependabot[bot] in #316
- Fix profile uncertainty plots not updating by @bmaranville in #320
- Check parameter name before updating in magnetism by @pkienzle in #313
- Enable batch align and contour export by @pkienzle in #317
- Fix control names in Profile Uncertainty panel by @bmaranville in #321
- Allow vector parameters for functional layers by @pkienzle in #311
From Bumps update to v1.0.3b0:
- Convergence show burn and control cutoff with slider
- Use msgpack for websocket comms with webview client
Full Changelog: v1.0.0b1...v1.0.0b2
v1.0.0b1
What's Changed
- Fix bug in QProbe oversampling logic
- Require
bumps==1.0.2to get fixes to session loading (avoid overwriting fit_state on history reload) - Fix running client in dev mode by @bmaranville in #307
- use public api accessor probe.calc_Q instead of private _calc_Q by @bmaranville in #305
Full Changelog: v1.0.0b0...v1.0.0b1