feat: Add support for reading unit cell dimensions from MOL2 CRYSIN records - #5187

Merged

orbeckst merged 18 commits into

MDAnalysis:developfrom

Dreamstick9:feat/3341-add-crysin-support

Mar 13, 2026

Commits on Dec 23, 2025

feat: enable reading unit cell dimensions from MOL2 CRYSIN records
Dreamstick9
committed
8a6dba4
test: add test case for MOL2 CRYSIN unit cell dimensions
Dreamstick9
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74d92d1
style: apply black formatting
Dreamstick9
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d4a53a4
fix: add mol2_crysin to __all__ exports and format
Dreamstick9
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5a0f7fc
style: run black v24 on all files
Dreamstick9
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a4425f0
style: reformat MOL2.py to satisfy CI
Dreamstick9
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472d55e
style: black formatting for tests and datafiles
Dreamstick9
committed
a07de61

Commits on Jan 16, 2026

docs: update changelog, authors, and parser docstrings
Dreamstick9
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593995e
black formatting
Dreamstick9
committed
edfa9c3

Commits on Jan 20, 2026

Commits on Feb 16, 2026

Merge branch 'develop' into feat/3341-add-crysin-support
Dreamstick9
authored
875bb54

Commits on Feb 23, 2026

Merge branch 'develop' into feat/3341-add-crysin-support
Dreamstick9
authored
9b4d215

Commits on Feb 24, 2026

fix: restore CHANGELOG authors and use assert_allclose per review
Dreamstick9
committed
627bb06

Commits on Feb 26, 2026

Merge branch 'develop' into feat/3341-add-crysin-support
Dreamstick9
authored
b1c1abb
Update CHANGELOG
Dreamstick9
authored
727edda

Commits on Mar 13, 2026

Merge branch 'develop' into feat/3341-add-crysin-support
orbeckst
authored
fdc83ed
Apply suggestions from code review
orbeckst
authored
2effc53