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OpenFreeEnergy / openfe Public

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Fix breaking tests from gufe updates#1107

Merged

atravitz merged 15 commits intomainOpenFreeEnergy/openfe:mainfrom

fix_inchikey_sorting_breaksOpenFreeEnergy/openfe:fix_inchikey_sorting_breaksCopy head branch name to clipboard

Mar 4, 2025

Conversation Commits15 (15)Checks Files changed

Merged

Fix breaking tests from gufe updates#1107
atravitz merged 15 commits intomainfrom
fix_inchikey_sorting_breaks

Commits

Commits on Jan 30, 2025

switch to assert_click_success to make debugging easier
atravitz
committed
updating expected transformations
atravitz
committed
fixing tests to look for logger.INFO instead of warnings (due to gufe change)
atravitz
committed
updating expected output due to gufe changes
atravitz
committed
updating expected output due to gufe changes
atravitz
committed

Commits on Mar 3, 2025

Merge branch 'main' of github.com:OpenFreeEnergy/openfe into fix_inchikey_sorting_breaks
atravitz
committed
update string match for partial charge logging
atravitz
committed
Revert "update string match for partial charge logging"
atravitz
committed
tests pass on 17fb08ccfab
atravitz
committed
updating expected output due to gufe changes
atravitz
committed
updating expected transformations
atravitz
committed
remove easy prefix, passing 2fe7741b9448
atravitz
committed
define _settings_cls, tests pass against g3c6d5f9
atravitz
committed
update string match for partial charge logging
atravitz
committed
bump gufe to main - tests pass
atravitz
committed

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