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* Replace pprint with model_dump in _ipython_display_ of SettingsBaseModel (#653) * min pin rdkit (#665) * fix msgpack `pint.errors.OffsetUnitCalculusError` when defining in celsius (#666) * add test that breaks * add fix * add news * Added Protocol how-to doc (#594) * Seeded protocol how-to * Finished document, with substantial help from Claude * Apply suggestions from code review Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com> * Changes from @atravitz review * Fix sphinx build warning * Apply suggestion from @IAlibay Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com> * Edits from review comments * Added additional notes on Settings objects to protocol how-to * Added additional notes to protocol how-to step 2 * Added more realism to ProtocolResult implementation in Protocol how-to * Added serialization concept doc giving supported types * Added link to serialization concept doc in tokenizable concept doc * Added additional notes for ProtocolUnits in Protocol how-to * Reworked ProtocolUnits example in Protocol how-to; made changes elsewhere to accommodate * Addressed remaining reviwe comments * precommit * add serialization to index --------- Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com> Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com> Co-authored-by: Alyssa Travitz <alyssa.travitz@omsf.io> * expose GufeToeknizableTestsMixin (#669) * run ci on all branches (#673) * Updated CHANGELOG for 1.7.1 * update changelog --------- Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com> Co-authored-by: David L. Dotson <dotsdl@gmail.com>
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
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Coverage 98.89% 98.89%
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Files 43 43
Lines 2705 2705
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Hits 2675 2675
Misses 30 30 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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CHANGELOG looks good: |
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No API break detected ✅ |
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