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  • 16 commits
  • 130 files changed
  • 2 contributors

Commits on Sep 16, 2026

  1. deprecate: addParameter, newParameter, and removeParameter depr…

    …ecation (#214)
    
    * feat: deprecate ParameterSet camelCase Parameter accessors
    
    addParameter, newParameter and removeParameter were the public spelling
    of RecipeOrganizer's private _add_parameter/_new_parameter/
    _remove_parameter, exposed as bare class-level aliases. Point the
    snake_case names at those aliases instead and add forwarding
    @deprecated shims for the camelCase names, matching how
    addParameterSet and removeParameterSet were handled in the same file.
    
    Internal callers in fitbase, pdf, sas and structure move to the new
    names so core no longer warns at itself.
    
    BaseSpaceGroupParameters.addParameter in structure/sgconstraints.py is
    deliberately untouched: it is a RecipeContainer, not a ParameterSet, so
    it neither inherits nor reaches these accessors, and renaming it
    belongs with the rest of the structure subpackage renames.
    
    This unblocks the structure and sas subpackage renames, which could not
    move off addParameter while it was core's only public spelling.
    
    Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
    
    * change test format
    
    ---------
    
    Co-authored-by: Claude Opus 5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Sep 16, 2026
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  2. dep: getValue deprecation in favor of snake case (#215)

    * feat: deprecate getValue in favour of get_value
    
    getValue was the last camelCase half of the value accessor pair; its
    partner setValue was renamed in c4c0b10 and shipped in 3.3.0. Follow
    that commit's shape: rename outright through the internal machinery
    (LiteralABC, Literal, Argument, Operator, ParameterProxy,
    ParameterAdapter) and all internal call sites, and add a forwarding
    @deprecated shim on the user-facing class.
    
    Unlike setValue, getValue is reachable on the Operator side of the
    hierarchy too, so the shim goes on Literal as well as on Parameter.
    Parameter's overrides Literal's, so Parameter users get a message
    naming Parameter.get_value and everyone else gets one naming
    Literal.get_value. Argument, Operator, Equation, ParameterProxy and
    ParameterAdapter all keep accepting getValue.
    
    This unblocks the structure and sas subpackage renames, which could not
    rename their getValue overrides while core still dispatched on the old
    name.
    
    Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
    
    * clean up testing architecture to be more readable
    
    ---------
    
    Co-authored-by: Claude Opus 5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Sep 16, 2026
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Commits on Oct 8, 2026

  1. fix: clean up core srfit before the subpackage split (#217)

    Fix the SASProfile set_observed_profile override that core no longer
    called, remove the undeclared six dependency and its Python 2 branches,
    and load test_fitrecipe data with ProfileParser instead of PDFParser.
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 8, 2026
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  2. fix: fail tests when srfit calls its own deprecated API (#216)

    * fix: fail tests when srfit calls its own deprecated API
    
    Add a pytest filterwarnings rule that turns DeprecationWarnings raised by
    srfit's own source into errors, and fix the two internal calls it caught:
    FitRecipe.__init__ (pushFitHook) and initializeRecipe (resultsDictionary).
    
    Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
    
    * add note about removing private function
    
    ---------
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 8, 2026
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  3. feat: export the fitbase API from diffpy.srfit (#218)

    * feat: export the fitbase API from diffpy.srfit
    
    Re-export the public fitbase classes so `from diffpy.srfit import
    FitRecipe` works, and use the shorter import in the tests and core
    examples. Import pyplot lazily in plot_recipe and apply the bg-style
    stylesheet only to srfit's own figures, so importing srfit is faster and
    no longer changes the user's global matplotlib style.
    
    Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
    
    * fix imports from merge of main
    
    ---------
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 8, 2026
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Commits on Oct 11, 2026

  1. refactor: bring diffpy.srfit.util up to standards (#220)

    Deprecate nine camelCase util names in favour of snake_case (observer,
    tag, name, input and sort-key helpers) and switch all internal callers.
    Restyle the tagmanager and weakrefcallable tests, add tests for the
    untested util modules, put the deprecation tests under tests/deprecated,
    and rewrite the util docstrings in NumPy style.
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 11, 2026
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Commits on Oct 12, 2026

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Commits on Oct 13, 2026

  1. refactor and style: Refactor unittest tests for in favor of `pytest…

    …` and update docstrings in `fitbase` (#222)
    
    * update docstrings to numpy standard and refactor unittests for pytest
    
    * move deprecation tests to separate deprecated directory
    cadenmyers13 authored Oct 13, 2026
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  2. fix: Replaced deprecated setScatteringFactorTableByType with `scatt…

    …eringfactortable` (#225)
    
    * fix: replace deprecated setScatteringFactorTableByType in BasePDFGenerator
    
    diffpy.srreal deprecates setScatteringFactorTableByType in favor of
    assigning the scatteringfactortable property, which accepts the same
    type strings. Add tests for setScatteringType covering X, N, E, a
    registered long name and an unknown type.
    
    Closes #137
    
    Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
    
    * test: remove the setScatteringType tests
    
    Keep only the update of the reference calculation in testGenerator.
    
    Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
    
    ---------
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 13, 2026
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Commits on Oct 14, 2026

  1. chore: point README CI badge at matrix-and-codecov.yml (#224)

    The badge referenced matrix-and-codecov-on-merge-to-main.yml, which no
    longer exists. Also add the missing .rst extension to
    news/use-string-in-structure.
    
    Co-authored-by: Claude Opus 5.5 <noreply@anthropic.com>
    cadenmyers13 and claude authored Oct 14, 2026
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Commits on Oct 15, 2026

  1. fix: allow constraints and restraints to be added after recipe is eva…

    …luated (#226)
    
    * fix: constraints and soft bounds can now be added after the recipe is evaluated
    
    * empty commit for stalled codecov
    cadenmyers13 authored Oct 15, 2026
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  3. test: fix pytest warnings being raised (#228)

    * fix warnings being raised during testing
    
    * chore: news
    cadenmyers13 authored Oct 15, 2026
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  5. dep & test: Replace deprecated functions and add tests for `interface…

    ….py` (#230)
    
    * chore: replace deprecated functions
    
    * replace deprecated function in test
    
    * fix deprecated functions in examples and add tests for interface
    
    * fix file header
    
    * trigger ci
    
    * doc: add short hand operators to docs
    cadenmyers13 authored Oct 15, 2026
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  6. Parsertest fix (#231)

    * fix test to use pathlib
    
    * news
    cadenmyers13 authored Oct 15, 2026
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