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Reorganize and Refactor POVME#2

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Merged

aalexmmaldonado merged 19 commits intomaindurrantlab/POVME:mainfrom devdurrantlab/POVME:devCopy head branch name to clipboardNov 29, 2024

+12,106-5,175

Commits

Commits on Nov 27, 2024

• refactor: Massive reorganization (broken)

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  64fa54e

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• tests: Add basic povme tests

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• docs: add start

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Commits on Nov 28, 2024

• Fix docs title

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• Fix docs code color

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  670897a

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• Cleanup cli

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• Reorganize some files

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• Cleanup some test files

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• Move pocket_id test info

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• chore: fix mypy.ini

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• tests: fix

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• refactor: reorganize

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Commits on Nov 29, 2024

• refactor: start migration to pydantic

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  26e580a

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• fix: get 4nss test running

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  e2aad0e

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• refactor: modular writing on POVME

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• tests: Enable logging

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• tests: cleanup

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• refactor: fix pocket detection

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  d9d3fa8

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• Cleanup docs

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