feat: Add functions for getting information from `Structure` - #187

Merged

sbillinge merged 21 commits into

diffpy:mainfrom

cadenmyers13:ase-adapter

Apr 4, 2026

Commits on Mar 23, 2026

Commits on Mar 24, 2026

add get_lattice_vectors, get_lattice_vector_angles and their respective tests
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bd4a6c0
news
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67d978a
make ase converter take str or list of strs
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bb207e0
update cartesian coordinate getter so it doesnt round
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7199c46
add ase to conda.txt and pip.txt
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8fa8327
add option to return ADPs as an array or dictionary
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beec69c

Commits on Mar 25, 2026

fix minor bug in typeerror test
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cfae583

Commits on Apr 2, 2026

Merge branch 'main' of github.com:diffpy/diffpy.structure into ase-adapter
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8354820
rm ase adapter tests
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f7f5466
rm ase adapter function
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c24fd70
update news
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30872d9
rm ase from requirements
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a018a30
remove ase fixtures
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0e5cc9d

Commits on Apr 3, 2026

rm np.float64 requirement from test
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6259c38
add input,expected to tests for adp getters
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47b440d
precommit edits
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65d2729