Skip to content

0.2.0

Latest
Latest
Compare
Choose a tag to compare
@github-actions github-actions released this 07 Jul 19:04
· 9 commits to main since this release
0.2.0
b4763e1

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.
Assets 2
Loading