Release notes

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:

Added:

Changed:

Fixed:

Changed:

Fixed:

Added:

Add ability to perform multiple morphs in one call using –multiple. * A FILE is morphed against every file in a given DIRECTORY. * Can sort PDFs by some field parameter in the header using –sort-by. * Can also find the field from some serialized metadata file using –serial-file.
pdfmorph python function call, which reproduce the application

Changed:

Changed: