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chore: deprecated addNewAtom
- #157
#157
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sbillinge
merged 11 commits into
diffpy:v3.4.0
diffpy/diffpy.structure:v3.4.0
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stevenhua0320:deprecate-addNewItem
stevenhua0320/diffpy.structure:deprecate-addNewItem
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Feb 20, 2026
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chore: deprecated addNewAtom
#157
sbillinge
merged 11 commits into
diffpy:v3.4.0
diffpy/diffpy.structure:v3.4.0
from
stevenhua0320:deprecate-addNewItem
stevenhua0320/diffpy.structure:deprecate-addNewItem
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Commits on Feb 19, 2026
build: deprecate addNewItem
stevenhua0320
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9ed7fc6
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build: change body of deprecated function
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6e99082
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build: add test cases for addNewAtom to test it & show deprecation message.
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fix: refine test code to avoid if logic
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test: add docstring and comments to the test.
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Commits on Feb 20, 2026
fix: add more test cases and refine behavior of add_new_atom
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cb7aec0
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fix: add docstring for hyperparamter for add_new_atom
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fix: fix comment with syntax error
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fix: change behavior to warning and use pytest parametrize to test it.
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[pre-commit.ci] auto fixes from pre-commit hooks
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fix: fix comment for UserWarning.
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