3.6.0 release timeline

Nov 27, 2024 - Dec 30, 2024

@sbillinge

•  Allow initialization of DO on instantiation #181
•  diffraction objects set_all_arrays #177
•  refactor base type for DiffractionObject data #185
• implement a skip_config_creation option in get_user_info #244
• I think the get_user_info docs don't match the code #245

@bobleesj

•   remove scattering_object layer #182
•  write new tests for (init functionality) #188
• overload the __setter__ in DiffractionObject to correctly update arrays #194
• add a copy method to diffraction objects #201
• insert_scattering_quantity check valid arrays and xtypes #200
• Rename input_scattering_quantity to input_data in DiffractionObject #212
• add uuids to DiffractionObjects #213
• Do we want id associated with data rather than the DO itself? #224
• Improve wsinterp docstrings and test function #221
• 1) Capture no wavelength UserWarning for test_q_to_thh method 2) discuss passing variables to @pytest.mark.parametrize #225
• Do we want id associated with data rather than the DO itself? #224
• Do not allow an empty instance of DiffractionObject - init requires xarray, yarray, xtype #227
• 31 pytest warnings - wavelength zero, infinite array, divide by zero #223
• DiffractionObject docstring do-ove #240
• Review test functions and group test cases #257
• Check runtime warning, error, "INFO" messages, and establish BG standard #258
• write tests for... #187
• revisit the invalid test DiffractionObject #241
• docs: Double-check and refine docstrings before 3.6.0 release #239
•  factor out isfloat to a separate file #7

@bobleesj and @sbillinge - establish group's testing standards

• Refactor test-on-xtype test function  #231
• Refactor test_transfor.py: pass variables to pytest parametrize, use conftest.py for common error messages #236
• Refactor test_scale_to function - continue to establish good practices #255

@yucongalicechen

•  diffraction object #49
•  diffraction object sampling different api #50
•  fix typo for insert_scattering_quantity in diffraction_objects.py #173
•  differaction objects improve functions q_to_tth, tth_to_q #174
•  diffraction objects implement d_to_tth, tth_to_d #175
•  diffraction objects implement d_to_q, q_to_d #176
•  write tests for #186
•  docs for diffraction objects setup #183
• doc for transforms (q_to_tth, tth_to_q, etc.) #226
• Use lowercase_with_underscore.rst naming convention for doc files #238
• fix XQUANTITIES in docstring #247
• check that the name `get_user_info/data is used consistently in docs #256
• muD calculator for z-scan files #281
• Improve comments for @pytest.mark.parametrize test cases in test_scale_to function #274
• check that the name `get_user_info/data is used consistently in docs #256
• DiffractionObject.scale_to() default is to scale to maxima #287
• mu T calculator #45
• docs for operations on diffraction objects #248
• DiffractionObject.scale_to() default is to scale to maxima #287

@yucongalicechen and @bobleesj

•  add tests for diffraction methods #53

@alisnwu

• update docs diffpy.utils.tools #210
•  New workflow for users to update the global config file #156
•  deprecate legacy resampler? #139

@Sparks29032

•  Add an option to automatically interpolate onto the Nyquist grid into wsinterp #145

More new added for 3.6.0

• All other remaining issues

3.5.1 Archive

To be closed for 3.5.1 by @alisnwu
https://github.com/diffpy/diffpy.utils/milestone/2

Overall communication channel for 3.5.1 and we can set priorities here for communicating with all members in the group:

The following are already resolved - but will be closed once pdfmorph confirms it (after 11/3)

•  Remove 1 warning - DeprecationWarning: pkg_resources is deprecated as an API  #132
•  Python 3.13 bug heads up - loaddata.py  #131

The following are what we need by next week:

•  better wording on the capture user names functionality #140
•  move resamplers out of parsers? #138
•  documentation for importing wsinterp from parsers error #137
•  Add instructions/link to fix missing user info issue in get_user_info function in tools.py #129
•  Implement automatic spelling check with Codespell in pre-commit (new cookiecutting standard) #144