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.

0.0.1

Changed:

• Fixed rever GH address