0.3.0-rc.1

What's Changed

• Remove PDF language from plot by @Sparks29032 in #263
• Add tutorial for wrapping PDFgetx3 and PyFai with funcxy by @Sparks29032 in #264

Full Changelog: 0.3.0-rc.0...0.3.0-rc.1

0.3.0-rc.0

What's Changed

• Update numerical file comparisons in tests by @Sparks29032 in #231
• Put the MorphRGrid at the end of the morphing chain by @Sparks29032 in #232
• Bug fix for --smear-pdf by @Sparks29032 in #234
• Restructure morphpy for easier maintainence by @Sparks29032 in #235
• Add option to save difference curve by @Sparks29032 in #237
• Move epsilon parameter in MorphRGrid by @Sparks29032 in #242
• Change kwargs input from dict to any by @Sparks29032 in #244
• Update exclude morphs option by @Sparks29032 in #246
• Morphfuncxy by @Sparks29032 in #239
• docs: fix rst markup by @ycexiao in #247
• raise ValueError if the the number of regression points is less than the number of parameters in _residual by @ycexiao in #249
• feat: add warning for extrapolation in morphsqueeze by @ycexiao in #250
• Remove subprocess calls from tests by @Sparks29032 in #251
• Only warn user about squeeze extrapolation after refinement by @Sparks29032 in #252
• Update code of conduct by @Sparks29032 in #254
• feat: add set_extrapolation_info function in morph.Morph by @ycexiao in #255
• feat: detect extrapolation for morphstretch by @ycexiao in #258
• Add citation file by @Sparks29032 in #260
• Refactor away from PDF language by @Sparks29032 in #261

Full Changelog: 0.2.0...0.3.0-rc.0

0.2.0

Added:

• Added a tutorial for MorphFuncy
• Functionality for refining lists and dictionaries
• Add docformatter config to pyproject.toml
• Python interfacing to call PDFmorph
• Returns dictionary of morph metrics (dict) and the r, gr pair for plotting or further manipulation
• General morph function that applies a user-supplied Python function to the y-coordinates of morph data
• Spelling check via Codespell in pre-commit
• Coverage report in each PR
• Added tutorial for MorphSqueeze and MorphFuncy
• Polynomial squeeze of x-axis of morphed data
• --multiple-morphs: morph multiple files against a single target
• New --smear option applies the smear morph directly to the function (without transforming to RDF).
• Support for python 3.13
• manual information is added into online docs.
• Option to set tolerance for the morph refinement (default 1e-08).
• Squeeze morph now added to CLI.
• Error thrown when squeeze morph given improper inputs.
• Shifting morph for vertical and horizontal shifts.

Changed:

• Paths to diffpy.utils.parsers functions made explicitly to the file level.
• Changed docstrings location for MorphFuncy and MorphSqueeze
• Typo fixes in documentation.
• Tutorial documentation files split into three sections.
• --multiple changed to --multiple-targets for clarity
• Former --smear option renamed to --smear-pdf (converts PDF to RDF before applying the smear morph).
• Renamed PDFmorph to diffpy.morph
• Stretch disabled when squeeze is above polynomial order 0.
• Horizontal shift morph disabled when squeeze is enabled.
• Squeeze morph now removes duplicate/repeated and trailing commas before parsing.
• Swap colors for morph and target. Morph is now blue and target red.

Fixed:

• add temperature field to tutorial/additionalData.
• Multiple morphs/targets used to break given multiple subdirectories.
• reduce the line width limit to 79
• Support scikit-package Level 5 standard (https://scikit-package.github.io/scikit-package/).
• import loadData and deserialize_data directly to integrate with diffpy.utils(3.6.0)

Removed:

• diffpy.morph manual removed.
• Support for python 3.10
• manual.

0.2.0-rc.1

What's Changed

• Squeeze morph: Adding UCs tests by @Luiskitsu in #182
• Bug (unintentional feature) fixes by @Sparks29032 in #184
• Reset Rw back to original by @Sparks29032 in #187
• test/func: created a test and function for MorphFuncy by @Luiskitsu in #186
• Enable refinement of lists and dictionary input parameters by @Luiskitsu in #190
• chore: pre-commit auto fixes from prettier by @zmx27 in #200
• skpkg: setup CI after migrating tests, src, requirements, and .github folder by @zmx27 in #201
• skpkg: add configuration files for pre-commit, readthedocs, codecov by @zmx27 in #202
• skpkg: migrate documentation, README, and public static files by @zmx27 in #204
• skpkg: migrate large doc/manual files by @zmx27 in #205
• chore: merge fully migrated migration branch into main by @sbillinge in #206
• ci: add docformatter config to pyproject.toml and apply them to the files by @zmx27 in #214
• Add squeeze morph to CLI by @Sparks29032 in #216
• Add tolerance option by @Sparks29032 in #217
• Remove manual and update README by @Sparks29032 in #218
• Add test for prolate spheroid by @Sparks29032 in #219
• Rename PDF-specific smear option to --smear-pdf by @Sparks29032 in #220
• Python Interfacing for PDFmorph (Clean Branch) by @Sparks29032 in #191
• Remove unused __main__ block in tests by @Sparks29032 in #222
• doc/tutorial: adding a tutorial for MorphFuncy and proper docstring by @Luiskitsu in #215
• Split quickstart.rst tutorial by @Sparks29032 in #225
• Added MorphSqueeze and MorphFuncy tutorials by @Luiskitsu in #226
• Edge cases and error handling for the squeeze morph by @Sparks29032 in #227
• Add new api-documentation by @Sparks29032 in #228
• Fixing typos in documentation and tutorials by @Sparks29032 in #229

New Contributors

• @Luiskitsu made their first contribution in #182
• @zmx27 made their first contribution in #200

Full Changelog: 0.1.4rc1...0.2.0-rc.1

0.2.0-rc.0

What's Changed

• Squeeze morph: Adding UCs tests by @Luiskitsu in #182
• Bug (unintentional feature) fixes by @Sparks29032 in #184
• Reset Rw back to original by @Sparks29032 in #187
• test/func: created a test and function for MorphFuncy by @Luiskitsu in #186
• Enable refinement of lists and dictionary input parameters by @Luiskitsu in #190
• chore: pre-commit auto fixes from prettier by @zmx27 in #200
• skpkg: setup CI after migrating tests, src, requirements, and .github folder by @zmx27 in #201
• skpkg: add configuration files for pre-commit, readthedocs, codecov by @zmx27 in #202
• skpkg: migrate documentation, README, and public static files by @zmx27 in #204
• skpkg: migrate large doc/manual files by @zmx27 in #205
• chore: merge fully migrated migration branch into main by @sbillinge in #206
• ci: add docformatter config to pyproject.toml and apply them to the files by @zmx27 in #214
• Add squeeze morph to CLI by @Sparks29032 in #216
• Add tolerance option by @Sparks29032 in #217
• Remove manual and update README by @Sparks29032 in #218
• Add test for prolate spheroid by @Sparks29032 in #219
• Rename PDF-specific smear option to --smear-pdf by @Sparks29032 in #220
• Python Interfacing for PDFmorph (Clean Branch) by @Sparks29032 in #191
• Remove unused __main__ block in tests by @Sparks29032 in #222
• doc/tutorial: adding a tutorial for MorphFuncy and proper docstring by @Luiskitsu in #215
• Split quickstart.rst tutorial by @Sparks29032 in #225
• Added MorphSqueeze and MorphFuncy tutorials by @Luiskitsu in #226
• Edge cases and error handling for the squeeze morph by @Sparks29032 in #227
• Add new api-documentation by @Sparks29032 in #228
• Fixing typos in documentation and tutorials by @Sparks29032 in #229

New Contributors

• @Luiskitsu made their first contribution in #182
• @zmx27 made their first contribution in #200

Full Changelog: 0.1.4rc1...0.2.0-rc.0

0.1.4rc1

What's Changed

• Support Python 3.13, update pyproject.toml by @bobleesj in #141
• Adding multiple morphs for single target by @Sparks29032 in #145
• Recut - codecov in PR, Codespell, release checklist by @bobleesj in #151
• Add conda-forge release checklist to GitHub Issue template by @bobleesj in #152
• Fix job names in check-news-item.yml, tests-on-pr.yml by @bobleesj in #153
• Fix tools diffpy.utils paths by @Sparks29032 in #154
• Add shifting morph by @Sparks29032 in #155
• fix: import loadData and deserialize_data directly to adopt new API from diffpy.utils(3.6.0) by @ycexiao in #162
• style: set the line width limit to 79 by @ycexiao in #164
• Refactor PDFmorph to diffpy.morph by @Sparks29032 in #172
• fix: add temperature field to tutorial data by @ycexiao in #174
• docs: move manual to online doc by @ycexiao in #173
• adding admin username by @sbillinge in #176

New Contributors

• @ycexiao made their first contribution in #162

Full Changelog: 0.1.3...0.1.4rc1

0.1.3

Added:

• Add GitHub action to build wheel, release, upload.
• Add issue and bug report templates.

Changed:

• README file installation instructions updated.

Fixed:

• Mathematical error in manual

0.1.2

Changed:

• downgraded matplotlib requirement to matplotlib-base
• updated imports of bg-mpl-stylesheets for latest release of that code

0.1.1

What's Changed

• titles by @sbillinge in #126

Full Changelog: 0.1.0...0.1.1

0.1.0

Initial release of PDFmorph, a program for comparing PDF (and potentially other) 1D datasets and spectra after stretching, scaling and smearing to account for small changes in lattice parameter and thermal factors, for example.