change: update how the deprecated characteristic functions handle the signature changes (#199) * revert parameters in old function signatures to prevent errors when the name is specified in the signature * Change how the deprecated characteristic functions handle the signature change * Add test cases for the deprecated functions signature changes * news - #200

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Commits on Feb 6, 2026

deprecate addProfileGenerator
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update api docs
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mock utils and pyobjcryst for doc rendering
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restore api docs
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revert conf.py commit
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deprecate addContribution and replace with add_contribution
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deprecate setEquation and replace with set_equation
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more set_equation replacements
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news
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reorder dep message to prevent merge conflicts
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Merge pull request #149 from diffpy/main
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Commits on Feb 7, 2026

Commits on Feb 8, 2026

Merge branch 'v3.3.0' of github.com:diffpy/diffpy.srfit into setequation-dep
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one final setEquation switch in tests
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pushFitHook deprecation
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popFitHook deprecation
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popFitHook dep message
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getFitHooks and clearFitHooks deprecation
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setWeight deprecation
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news
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news pt2
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Commits on Feb 9, 2026

Merge pull request #151 from cadenmyers13/fitrecipe-dep
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Merge pull request #150 from cadenmyers13/setequation-dep
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addParameterSet deprecation
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news
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docstring typo
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Commits on Feb 10, 2026

Merge pull request #153 from cadenmyers13/fitrecipe2-dep
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Commits on Feb 14, 2026

deprecate getEquation in fitcontribution.py
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deprecate getEquation from builder.BaseBuilder
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Commits on Feb 15, 2026

news
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news typo
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Merge pull request #154 from cadenmyers13/fitcontrib-dep
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Commits on Feb 19, 2026

deprecate SimpleRecipe.loadParsedData
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deprecate Profile.loadParsedData
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deprecate Profile.setObservedProfile and SimpleRecipe.setObservedProfile
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news
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setCalculationRange
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setCalculationPoints
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change rebinArray to rebin_array
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make _rebin_array private
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Commits on Feb 20, 2026

Merge pull request #155 from cadenmyers13/profile-dep
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missed deprecation tag in SimpleRecipe
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setResidualEquation deprecation
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getResidualEquation deprecation
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news
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news again
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Merge pull request #156 from cadenmyers13/fitcontrib-dep-final
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add test for remove and add param_set
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removeParameterSet deprecation
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scalarResidual deprecation
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addVar deprecation
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delVar deprecation
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newVar deprecation
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news
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news 2
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Commits on Feb 21, 2026

Merge pull request #157 from cadenmyers13/fitrecipe-dep
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Commits on Feb 22, 2026

isFree deprecation
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getValues deprecation
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fix typo in base name
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getNames deprecation
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getBounds deprecation
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getBounds2 deprecation
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add test for boundsToRestraints
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boundsToRestraints deprecation
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make bounds to restraints docstring better
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news
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news 2
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make new test cleaner
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Commits on Feb 23, 2026

remove minus sign typo causing tests to fail
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Merge pull request #159 from cadenmyers13/fitrecipe2-dep
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formatResults deprecation
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Commits on Feb 24, 2026

printResults deprecation
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add tests for printResults and formatResults
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write test for saveResults
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test for the addition of a header to results
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saveResults deprecation
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Merge pull request #160 from cadenmyers13/fitresults-dep
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Commits on Feb 25, 2026

set fixtures to scope=function
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add constraints and restraints for more strict testing
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add initialization test and method
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news
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remove accidental commit
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add test for ValueError
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Merge pull request #162 from cadenmyers13/init-w-recipe
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AUTHORS.rst
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CODE-OF-CONDUCT.rst
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cookiecutter.json
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LICENSE.rst
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LICENSE.rst pt2
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MANIFEST.in
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pyproject.toml
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README.rst
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release_checklist.md
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build-and-publish-docs-on-dispatch.yml
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build-wheel-release-upload.yml
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matrix-and-codecov.yml
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README.rst pt2
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conf.py
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index.rst
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license.rst
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diffpy.srfit.rst
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__init__.py
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__init__.py
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__init__.py
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srfit_app.py
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version.py
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news
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[pre-commit.ci] auto fixes from pre-commit hooks
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resultsDictionary deprecation, added to FitResults
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news
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test for resultsDictionary
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improve test
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add comments describing tests
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Merge pull request #165 from cadenmyers13/res-dict
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rm merge-to-main duplicate workflow
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add __init__ header to README
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pull PR to list branch to fix docformatter failure
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Merge branch 'v3.3.0' into update030
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[pre-commit.ci] auto fixes from pre-commit hooks
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Commits on Feb 26, 2026

Merge pull request #164 from cadenmyers13/update030
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fix conftest fixture so it creates new recipe object on each call
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698842e
update fixture initial values to be more different
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update expected to accound for the slight difference now
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feat: initialize FitRecipe from a results file or object
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test: tests for the new feature
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add utils objects to get dict from results object or file
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news
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fix accident in test_fitresults
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use get_results_dictionary method to get params_dict
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initializeRecipe deprecation
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add better docstrings to fitrecipe and fitresults
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add 'The' to docstrings
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Commits on Feb 27, 2026

do linspace with odd number of points
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Commits on Mar 2, 2026

Commits on Mar 5, 2026

rm deprecated six and other deprecated python2 objects
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setValue deprecation
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news
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Commits on Mar 6, 2026

skip test_speed.py
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ignore test_speed.py in codecov
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iterPars deprecation
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registerCalculator deprecation
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registerFunction deprecation in EquationFactory and RecipeOrganizer
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registerStringFunction deprecation
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evaluateEquation deprecation
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isConstrained deprecation
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replace par with parameter
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getConstrainedPars deprecation, and write a test for it :)
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small fix
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clearConstraints deprecation, and write small test
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Merge pull request #167 from cadenmyers13/setvalue-dep
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clean up and fix variable names in restrain and constrain methods
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Merge branch 'v3.3.0' of github.com:diffpy/diffpy.srfit into recipeorg-dep1
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minor docstring typos
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news
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Commits on Mar 8, 2026

Merge pull request #168 from cadenmyers13/recipeorg-dep1
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5e91f9b

Commits on Mar 9, 2026

constrain and unconstrain deprecation
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change name to register_restraint
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restrain deprecation
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unrestrain deprecation
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clearRestraints deprecation
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equationFromString deprecation
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news
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Commits on Mar 12, 2026

constrain_parameter --> add_constraint
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unconstrain_parameter --> remove_constraint
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add_restraint --> add_penalty
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remove_restraint --> remove_penalty
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register_restraint --> register_penalty
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clear_all_restraints --> clear_all_penalties
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Commits on Mar 13, 2026

change lb to lower_bound everywhere
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change ub to upper_bound everywhere
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add_penalty --> add_soft_bounds
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remove_penalty --> remove_soft_bounds
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register_penalty --> register_soft_bounds
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clear_all_penalties --> clear_all_soft_bounds
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add more to add_soft_bounds docstring
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more to docstring
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Merge pull request #169 from cadenmyers13/recipeorg-dep2
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processMetaData --> _process_metadata
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c23c5d4

Commits on Mar 16, 2026

isConst --> is_constant
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change Attributes --> Parameters in all docstrings
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boundRange --> bound_range
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boundWindow --> bound_window
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write tests for bound_window and bound_range
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news
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minor docstring fix
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Merge pull request #170 from cadenmyers13/param-dep
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Commits on Mar 17, 2026

deprecate PDFParser
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build parse_file and deprecate getNumBank, selectBank, getFormat, getData, and getMetaData
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add ProfileParser to __init__ so it can be imported from fitbase
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add test files as conftest fixture
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use ProfileParser in PDFContribution, replacing PDFParser
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Use ProfileParser instead of PDFParser for fitrecipe testing
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getData --> get_data, and getMetaData --> get_metadata in Profile
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add set_parsed_profile test with ProfileParser
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update examples with new parser
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update test_pdf to reflect new parser
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update old formatted test data to get parser to pass tests
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add test for ProfileParser
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update sas module and test to reflect new changes
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news
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rm comment
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rm python3.13 pin on pre-commit-config for now
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Merge pull request #171 from cadenmyers13/profileparser_dep
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Commits on May 19, 2026

Commits on May 20, 2026

chore: change to if else statement in the logic
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Commits on May 21, 2026

Merge pull request #183 from stevenhua0320/iterpar-behavior
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Commits on Jul 1, 2026

chore: refactor pytest fixtures and sync `pyproject.toml` and pre-commit file with main (#188)

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Commits on Jul 7, 2026

chore: merge remaining `main` edits into `v3.3.0` (#189)

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Commits on Jul 9, 2026

skpkg: update project to latest scikit-package template (#190)

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99955e4

Commits on Aug 5, 2026

change: Handle uncertainties as `None` rather than `1`s (#193)
cadenmyers13
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02ca2b4

Commits on Aug 6, 2026

Fix: Restore extensibility of `ProfileParser` and use `load_data` from `diffpy.utils` (#196)
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2189b17

Commits on Aug 7, 2026

Commits on Aug 8, 2026

change: update how the deprecated characteristic functions handle the signature changes (#199)
cadenmyers13
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7074fcd
chore: start merge conflict resolution with main

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sbillinge
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5163a2d
fix: resolve merge conflict markers left in source files

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