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dep & test: Replace deprecated functions and add tests for `interface.py` by cadenmyers13 · Pull Request #230 · diffpy/diffpy.srfit · GitHub

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dep & test: Replace deprecated functions and add tests for interface.py - #230

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sbillinge merged 6 commits into
diffpy:mainfrom
cadenmyers13:fix-structure-deprecations
Oct 15, 2026
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dep & test: Replace deprecated functions and add tests for interface.py#230
sbillinge merged 6 commits into
diffpy:mainfrom
cadenmyers13:fix-structure-deprecations

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cadenmyers13 commented Oct 15, 2026

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cadenmyers13 commented Oct 15, 2026

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@sbillinge ready for review/merge. Missed these because I didnt have srreal installed in my env which caused certain tests to be skipped. This wont be a problem when we separate packages out into diffpy.cmi*.

codecov Bot commented Oct 15, 2026 •
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Codecov Report

❌ Patch coverage is 84.37500% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 84.96%. Comparing base (a9eae82) to head (b35b24d).
⚠️ Report is 26 commits behind head on main.

Files with missing lines Patch % Lines
tests/test_sgconstraints.py 0.00% 2 Missing ⚠️
tests/test_objcrystparset.py 0.00% 1 Missing ⚠️
tests/test_pdfcontribution.py 50.00% 1 Missing ⚠️
tests/test_pdfgenerator.py 0.00% 1 Missing ⚠️
Additional details and impacted files 
@@             Coverage Diff             @@
##             main     #230       +/-   ##
===========================================
+ Coverage   71.63%   84.96%   +13.32%     
===========================================
  Files          25       44       +19     
  Lines        3437     4887     +1450     
===========================================
+ Hits         2462     4152     +1690     
+ Misses        975      735      -240
Files with missing lines Coverage Δ
tests/test_interface.py 100.00% <100.00%> (ø)
tests/test_objcrystparset.py 10.19% <0.00%> (-0.08%) ⬇️
tests/test_pdfcontribution.py 39.02% <50.00%> (ø)
tests/test_pdfgenerator.py 16.66% <0.00%> (ø)
tests/test_sgconstraints.py 11.58% <0.00%> (+1.51%) ⬆️

... and 20 files with indirect coverage changes

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

cadenmyers13 changed the title dep: Replace deprecated functions dep & test: Replace deprecated functions and add tests for interface.py Oct 15, 2026
cadenmyers13 commented Oct 15, 2026
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Comment thread tests/test_interface.py
# Expected: p1 is constrained and its value is 6.
def test_constrain_operator():
recipe, p1, p2 = _make_recipe_with_variables()
recipe *= "p1", "2*p2"

cadenmyers13 Oct 15, 2026 •
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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

tbh, i had no clue you could constrain/restrain parameters with *=/%=. Kinda cool! Although not super intuitive

sbillinge Oct 15, 2026

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

tbh, i had no clue you could constrain/restrain parameters with *=/%=. Kinda cool! Although not super intuitive

Classic Pavol. Is it in the docs, where the symbols are actually explained? If not, let's put it there.

cadenmyers13 Oct 15, 2026

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Choose a reason Spam Abuse Off Topic Outdated Duplicate Resolved Low Quality

@sbillinge 😂 . Added it to the docs. built them and doubled checked it

cadenmyers13 mentioned this pull request Oct 15, 2026
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cadenmyers13 commented Oct 15, 2026

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@sbillinge ready for review again

sbillinge merged commit e49212e into diffpy:main Oct 15, 2026
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cadenmyers13 deleted the fix-structure-deprecations branch October 15, 2026 22:08
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