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Move reference values unit validation to utils #36

Merged
merged 18 commits into from
Aug 30, 2023
Merged

Move reference values unit validation to utils #36

merged 18 commits into from
Aug 30, 2023

Commits on Aug 30, 2023

  1. add validate_ref_value to utils.

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  2. use utils validate_ref_value method

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  3. handle amu unit

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  4. add unit test with string ref_value_dict

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  5. add unit test with kcal/mol unit

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  6. replace energy_dim with u.dimensions.energy

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  7. remove dimension.name from string

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  8. add unit tests for utils.py

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  9. add charge scale func to system class

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  10. add unit test for _scale_charges, remove import from init func in utils

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  11. remove check for self.gmso_system where its not needed

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  12. remove un-needed line

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  13. fix typo

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  14. check for non-zero abs charge before scaling

    @chrisjonesBSU @marjanalbooyeh
    chrisjonesBSU authored and marjanalbooyeh committed Aug 30, 2023
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  15. resolve conflicts with main

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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  16. Merge branch 'main' into ref-units-utils

    @marjanalbooyeh
    marjanalbooyeh authored Aug 30, 2023
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  17. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 30, 2023
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  18. fix unit test bug

    @marjanalbooyeh
    marjanalbooyeh committed Aug 30, 2023
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