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V3.4.0 by sbillinge · Pull Request #189 · diffpy/diffpy.structure · GitHub
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V3.4.0
- #189
#189
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sbillinge
merged 86 commits into
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Mar 27, 2026
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V3.4.0
#189
sbillinge
merged 86 commits into
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Commits on Feb 19, 2026
build: deprecate addNewItem
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build: change body of deprecated function
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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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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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fix: fix comment for UserWarning.
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Merge pull request #157 from stevenhua0320/deprecate-addNewItem
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build: deprecate getLastAtom and add a test
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Merge pull request #159 from stevenhua0320/deprecate-getLastAtom
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chore: deprecate read/writeStr, placeInLattice method
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Merge pull request #161 from stevenhua0320/deprecate-structure-function
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chore: deprecate private function in utils
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Commits on Feb 21, 2026
Merge pull request #162 from stevenhua0320/deprecate-utils-method
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Commits on Feb 22, 2026
chore: deprecate setLatPar and setLatBase method
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Commits on Feb 23, 2026
chore: rename the lower-case function to make it clearer in meaning
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fix: rename new function name in deprecation message and in news
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Merge pull request #163 from stevenhua0320/deprecate-lattice
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chore: deprecate abcABG and readStr method
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Commits on Feb 24, 2026
Merge pull request #164 from stevenhua0320/deprecate-method-lattice
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chore: deprecate methods in
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fix: fix deprecation message and rename the snakecase method to be consistent.
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Merge pull request #165 from stevenhua0320/symmetryutilities-deprecate
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chore:deprecate method in and add test for methods
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fix: fix docstring for method in test.
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Commits on Feb 25, 2026
chore: changeg unittest to pytest
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Merge pull request #166 from stevenhua0320/deprecate-symmetryutilities-2
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chore: deprecate method in symmetryutilities
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Merge pull request #167 from stevenhua0320/deprecate-symmetryutilities-3
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Commits on Feb 26, 2026
chore: deprecate method in GeneratorSite class
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chore: rename function to make it readable
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Merge pull request #168 from stevenhua0320/deprecate-symmetryutilities-4
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chore: deprecate methods in GeneratorSite class
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Merge pull request #169 from stevenhua0320/deprecate-symmetryutilities-5
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Commits on Feb 28, 2026
chore: deprecate SymmetryConstraints class method
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chore: rename the function to increase readability
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chore: rename the api in the docstring
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Merge pull request #170 from stevenhua0320/deprecate-symmetryutilities-6
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chore: deprecate symmetryutilities method
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chore: rename the method to correct one in news
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Merge pull request #171 from stevenhua0320/deprecate-symmetryutilities-7
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chore: deprecate utils method and private methods in parsers.
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fix: change cif parser attribute name to construct Structure object
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Merge pull request #172 from stevenhua0320/deprecate-utils
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chore: deprecate parseLines method in all parsers
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Merge pull request #173 from stevenhua0320/deprecate-parser
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Commits on Mar 4, 2026
chore: deprecate parseFile method
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chore: run pre-commit
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Merge pull request #174 from stevenhua0320/deprecate-parsefile
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chore: deprecate toLines method across of parsers
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Commits on Mar 6, 2026
chore: deprecate getParser method across all parsers format.
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Merge pull request #175 from stevenhua0320/deprecate-toLine
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Merge branch 'v3.4.0' into deprecate-getParser
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Merge pull request #176 from stevenhua0320/deprecate-getParser
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chore: derepcate P_pdb method
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chore: deprecate expansion functional utilities method.
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Merge pull request #177 from stevenhua0320/deprecate-parser-display
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Merge pull request #178 from stevenhua0320/deprecate-expansion-utilities-1
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chore: deprecate apps method
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Merge pull request #179 from stevenhua0320/deprecate-apps
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chore: deprecate spacegroup method
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chore: deprecate Atom class method
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chore: change docstring
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Merge pull request #180 from stevenhua0320/deprecate-spacegroup
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chore: rename variables to more explicit one, add test case descriptions.
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chore: change utility script to snake_case method.
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Commits on Mar 8, 2026
Merge pull request #181 from stevenhua0320/deprecate-atom
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Merge pull request #182 from stevenhua0320/change-utility-script
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Commits on Mar 14, 2026
chore: add readme.md for devutils files
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fix: fix load_structure method with loading Path object.
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Commits on Mar 16, 2026
Merge pull request #185 from stevenhua0320/fix-load-structure
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Merge pull request #184 from stevenhua0320/add-devutils-readme
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Commits on Mar 24, 2026
feat: add parser for vesta files and vesta app viewer.
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pre-commit auto-fix
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Commits on Mar 26, 2026
fix: change every os.path to Path() object and replace string to f-string.
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chore: delete unncessary AtomicTable comments.
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chore: remove unncessary import from p_xcfg
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Merge pull request #188 from stevenhua0320/vesta_view
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Commits on Mar 27, 2026
Merge branch 'main' into v3.4.0
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chore: add assignUniqueLabels deprecation message
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Merge pull request #190 from stevenhua0320/assignUniqueLabels-deprecation
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