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Workflows Base Module #229

Merged
merged 79 commits into from
Apr 4, 2023
Merged

Workflows Base Module #229

merged 79 commits into from
Apr 4, 2023

Commits on Jan 15, 2023

  1. initialize workflows base PR

    @cadeduckworth
    cadeduckworth committed Jan 15, 2023
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  2. initial transfer of workflows base module files and testing data from… 

    … PR227 and PR217
    @cadeduckworth
    cadeduckworth committed Jan 15, 2023
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  3. initialize workflows registry module

    @cadeduckworth
    cadeduckworth committed Jan 15, 2023
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Commits on Feb 7, 2023

  1. minor updates and reminders for when PR217 is merged

    @cadeduckworth
    cadeduckworth committed Feb 7, 2023
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  2. add base functionality with workflows registry module, core functions… 

    … work with workflows.dihedrals
    @cadeduckworth
    cadeduckworth committed Feb 7, 2023
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Commits on Feb 14, 2023

  1. remove old testing data

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  2. pre-merge prep review and changes

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  3. Merge branch 'develop' into workflows-base

    @cadeduckworth
    cadeduckworth authored Feb 14, 2023
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  4. docs

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  5. add option to provide a directory for csv file to be saved from outpu… 

    …t of directory_paths
    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  6. docs

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  7. fix import names

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  8. add new testing data, .csv for workflows base module

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  9. initialize workflows tests

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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  10. update existing tests, issue with temp dirs and files still exists

    @cadeduckworth
    cadeduckworth committed Feb 14, 2023
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Commits on Feb 17, 2023

  1. change file paths and naming conventions

    @cadeduckworth
    cadeduckworth authored Feb 17, 2023
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  2. Update test_workflows_base.py

    @cadeduckworth
    cadeduckworth authored Feb 17, 2023
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  3. change base test assert value

    @cadeduckworth
    cadeduckworth committed Feb 17, 2023
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  4. assert df value

    @cadeduckworth
    cadeduckworth committed Feb 17, 2023
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Commits on Feb 18, 2023

  1. tests, directory path dataframes

    @cadeduckworth
    cadeduckworth committed Feb 18, 2023
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Commits on Feb 21, 2023

  1. directory_paths csv input test, unsure if additional assertion needed

    @cadeduckworth
    cadeduckworth committed Feb 21, 2023
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  2. test errors, exceptions, logging, workflows base module

    @cadeduckworth
    cadeduckworth committed Feb 21, 2023
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Commits on Mar 4, 2023

  1. add workflows to STATES dictioonary

    @cadeduckworth
    cadeduckworth committed Mar 4, 2023
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  2. change and update testing resource paths and add fixtures for tests

    @cadeduckworth
    cadeduckworth committed Mar 4, 2023
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Commits on Mar 21, 2023

  1. fix double and single quotes and string formatting in workflows base … 

    …and test module
    @cadeduckworth
    cadeduckworth committed Mar 21, 2023
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  2. edit docs

    @cadeduckworth
    cadeduckworth committed Mar 21, 2023
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  3. cleanup tests

    @cadeduckworth
    cadeduckworth committed Mar 21, 2023
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  4. Merge branch 'develop' into workflows-base

    @orbeckst
    orbeckst authored Mar 21, 2023
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Commits on Mar 25, 2023

  1. add documentation for workflows registry

    @cadeduckworth
    cadeduckworth committed Mar 25, 2023
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  2. Merge branch 'workflows-base' of github.com:Becksteinlab/MDPOW into w… 

    …orkflows-base
    @cadeduckworth
    cadeduckworth committed Mar 25, 2023
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  3. registry docs

    @cadeduckworth
    cadeduckworth committed Mar 25, 2023
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  4. docs, and new entry in CHANGES

    @cadeduckworth
    cadeduckworth committed Mar 25, 2023
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Commits on Mar 28, 2023

  1. doc changes for registry

    @cadeduckworth
    cadeduckworth committed Mar 28, 2023
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  2. registry docs

    @cadeduckworth
    cadeduckworth committed Mar 28, 2023
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  3. registry docs

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    cadeduckworth committed Mar 28, 2023
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  4. registry docs

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    cadeduckworth committed Mar 28, 2023
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  5. registry docs

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    cadeduckworth committed Mar 28, 2023
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  6. docs

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    cadeduckworth committed Mar 28, 2023
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  7. docs

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    cadeduckworth committed Mar 28, 2023
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  8. docs

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    cadeduckworth committed Mar 28, 2023
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  9. docs

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  10. docs

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    cadeduckworth committed Mar 28, 2023
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  11. docs

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    cadeduckworth committed Mar 28, 2023
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  12. docs

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  13. docs

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  14. docs

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    cadeduckworth committed Mar 28, 2023
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  15. docs

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    cadeduckworth committed Mar 28, 2023
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  16. docs

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  17. docs

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  18. docs

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  19. docs

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    cadeduckworth committed Mar 28, 2023
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  20. docs and naming conventions

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    cadeduckworth committed Mar 28, 2023
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  21. tests and docs, naming conventions

    @cadeduckworth
    cadeduckworth committed Mar 28, 2023
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  22. remove deprecated test

    @cadeduckworth
    cadeduckworth committed Mar 28, 2023
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  23. Merge branch 'develop' into workflows-base

    @orbeckst
    orbeckst authored Mar 28, 2023
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Commits on Mar 31, 2023

  1. docs and formatting

    @cadeduckworth
    cadeduckworth committed Mar 31, 2023
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  2. reduce and reorganize try/except method to remove ambiguity and incre… 

    …ase clarity
    @cadeduckworth
    cadeduckworth committed Mar 31, 2023
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  3. docs

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    cadeduckworth committed Mar 31, 2023
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  4. Merge branch 'workflows-base' of github.com:Becksteinlab/MDPOW into w… 

    …orkflows-base
    @cadeduckworth
    cadeduckworth committed Mar 31, 2023
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  5. docs

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    cadeduckworth committed Mar 31, 2023
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  6. reST workflows registry table for docs

    @cadeduckworth
    cadeduckworth committed Mar 31, 2023
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  7. registry doc table

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    cadeduckworth committed Mar 31, 2023
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  8. registry doc table

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  9. registry doc table

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    cadeduckworth committed Mar 31, 2023
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  10. registry docs

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    cadeduckworth committed Mar 31, 2023
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  11. registry docs

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    cadeduckworth committed Mar 31, 2023
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  12. registry docs

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    cadeduckworth committed Mar 31, 2023
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  13. registry docs

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    cadeduckworth committed Mar 31, 2023
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  14. registry docs

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  15. registry docs

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    cadeduckworth committed Mar 31, 2023
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  16. registry docs

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    cadeduckworth committed Mar 31, 2023
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Commits on Apr 1, 2023

  1. registry docs

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    cadeduckworth committed Apr 1, 2023
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  2. registry docs

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    cadeduckworth committed Apr 1, 2023
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  3. registry docs

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    cadeduckworth committed Apr 1, 2023
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  4. registry docs

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    cadeduckworth committed Apr 1, 2023
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  5. registry docs

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    cadeduckworth committed Apr 1, 2023
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  6. registry docs

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    cadeduckworth committed Apr 1, 2023
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  7. registry docs

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    cadeduckworth committed Apr 1, 2023
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Commits on Apr 4, 2023

  1. Apply suggestions from code review

    @orbeckst
    orbeckst authored Apr 4, 2023
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