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materialsproject / pymatgen Public

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Improve `Structure` tests#3197

Merged

janosh merged 15 commits intomastermaterialsproject/pymatgen:masterfrom

improve-structure-testsmaterialsproject/pymatgen:improve-structure-testsCopy head branch name to clipboard

Aug 1, 2023

Conversation Commits15 (15)Checks Files changed

Merged

Improve `Structure` tests#3197
janosh merged 15 commits intomasterfrom
improve-structure-tests

Commits

Commits on Jul 31, 2023

add Structure/Molecule.sites setter, move @property to SiteCollection
janosh
committed
don't use implementation detail (Structure|Molecule)._sites
janosh
committed
rename StructureTest.structure attr to struct
janosh
committed
add IStructureTest.test_sites_setter
janosh
committed
fix mypy
janosh
committed
test translate/rotate_sites IndexError if list index out of range
janosh
committed
tweak doc strings
janosh
committed
test inverse translate_sites operations leave structure unchanged
janosh
committed
Structure.make_supercell() add in_place: bool = True keyword and return supercell structure
janosh
committed
test make_supercell in_place=True and False
janosh
committed
fix mypy
janosh
committed

Commits on Aug 1, 2023

fix Structure.insert not returning as doc str says
janosh
committed
fix @sites.setter check if is mutable class
janosh
committed
fix mypy
janosh
committed
improve var names for readability
janosh
committed

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