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Improve unphysical (greater than 1) occupancy handling in CifParser and add missing site label if not check_occu #3819

Merged
merged 21 commits into from
May 30, 2024
Merged

Improve unphysical (greater than 1) occupancy handling in CifParser and add missing site label if not check_occu #3819

merged 21 commits into from
May 30, 2024

Commits on May 11, 2024

  1. fix tol def and add error msg

    @DanielYang59
    DanielYang59 committed May 11, 2024
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  2. no verify

    @DanielYang59
    DanielYang59 committed May 11, 2024
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  3. allow any occupancy when not check_occu

    @DanielYang59
    DanielYang59 committed May 11, 2024
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  4. remove unnecessary warning

    @DanielYang59
    DanielYang59 committed May 11, 2024
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  5. simplify warning message

    @DanielYang59
    DanielYang59 committed May 11, 2024
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  6. add one more unit test

    @DanielYang59
    DanielYang59 committed May 11, 2024
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Commits on May 12, 2024

  1. fix var name in comment

    @DanielYang59
    DanielYang59 committed May 12, 2024
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Commits on May 13, 2024

  1. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 13, 2024
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Commits on May 14, 2024

  1. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 14, 2024
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  2. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 14, 2024
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Commits on May 15, 2024

  1. revise docstring

    @DanielYang59
    DanielYang59 committed May 15, 2024
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  2. fix missing label when check_occu

    @DanielYang59
    DanielYang59 committed May 15, 2024
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  3. update unit test

    @DanielYang59
    DanielYang59 committed May 15, 2024
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Commits on May 16, 2024

  1. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 16, 2024
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  2. revert accidental change during merge

    @DanielYang59
    DanielYang59 committed May 16, 2024
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  3. revert change to occupancy_tolerance

    @DanielYang59
    DanielYang59 committed May 16, 2024
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  4. fix comment and revert a unnecessary deletion

    @DanielYang59
    DanielYang59 committed May 16, 2024
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  5. filter valid occupancy

    @DanielYang59
    DanielYang59 committed May 16, 2024
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  6. revert docstring change

    @DanielYang59
    DanielYang59 committed May 16, 2024
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Commits on May 18, 2024

  1. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 18, 2024
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Commits on May 25, 2024

  1. Merge branch 'master' into fix-3816-cif

    @DanielYang59
    DanielYang59 committed May 25, 2024
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