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Allow bonds etc to be additively guessed when present #4761

Merged
merged 32 commits into from
Nov 11, 2024
Merged

Allow bonds etc to be additively guessed when present #4761

merged 32 commits into from
Nov 11, 2024

Commits on Oct 25, 2024

  1. add tests

    @lilyminium
    lilyminium committed Oct 25, 2024
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  2. special case connections

    @lilyminium
    lilyminium committed Oct 25, 2024
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  3. pep8 tests

    @lilyminium
    lilyminium committed Oct 25, 2024
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  4. add failing force_guess bond test

    @lilyminium
    lilyminium committed Oct 25, 2024
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  5. add force guessing removal

    @lilyminium
    lilyminium committed Oct 25, 2024
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  6. fix pep8

    @lilyminium
    lilyminium committed Oct 25, 2024
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  7. cleanup

    @lilyminium
    lilyminium committed Oct 25, 2024
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  8. add more tests

    @lilyminium
    lilyminium committed Oct 25, 2024
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  9. update changelog

    @lilyminium
    lilyminium committed Oct 25, 2024
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Commits on Oct 26, 2024

  1. Merge branch 'develop' into order-bond-guessing

    @lilyminium
    lilyminium authored Oct 26, 2024
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  2. Merge branch 'develop' into order-bond-guessing

    @IAlibay
    IAlibay authored Oct 26, 2024
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  3. add tests

    @lilyminium
    lilyminium committed Oct 26, 2024
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  4. add force guessing removal

    @lilyminium
    lilyminium committed Oct 26, 2024
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  5. add more tests

    @lilyminium
    lilyminium committed Oct 26, 2024
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  6. update tests after deletion fix

    @lilyminium
    lilyminium committed Oct 26, 2024
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  7. fix problematic merge

    @lilyminium
    lilyminium committed Oct 26, 2024
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  8. fix other merge problem

    @lilyminium
    lilyminium committed Oct 26, 2024
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  9. how did this rebase go so wrong

    @lilyminium
    lilyminium committed Oct 26, 2024
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  10. repep8

    @lilyminium
    lilyminium committed Oct 26, 2024
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  11. more merge fixes

    @lilyminium
    lilyminium committed Oct 26, 2024
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  12. change guessing bonds with force to additive

    @lilyminium
    lilyminium committed Oct 26, 2024
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  13. change valueerror to nodataerror

    @lilyminium
    lilyminium committed Oct 26, 2024
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Commits on Oct 27, 2024

  1. add tests for errors

    @lilyminium
    lilyminium committed Oct 27, 2024
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Commits on Oct 28, 2024

  1. Update package/MDAnalysis/core/universe.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @lilyminium @IAlibay
    lilyminium and IAlibay authored Oct 28, 2024
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  2. Update package/MDAnalysis/core/universe.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @lilyminium @IAlibay
    lilyminium and IAlibay authored Oct 28, 2024
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  3. Update package/MDAnalysis/core/universe.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @lilyminium @IAlibay
    lilyminium and IAlibay authored Oct 28, 2024
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  4. Update package/MDAnalysis/core/universe.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @lilyminium @IAlibay
    lilyminium and IAlibay authored Oct 28, 2024
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  5. add new test

    @lilyminium
    lilyminium committed Oct 28, 2024
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  6. add guessing check

    @lilyminium
    lilyminium committed Oct 28, 2024
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  7. oopsie

    @lilyminium
    lilyminium committed Oct 28, 2024
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Commits on Oct 29, 2024

  1. update test

    @lilyminium
    lilyminium committed Oct 29, 2024
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Commits on Nov 11, 2024

  1. Update testsuite/MDAnalysisTests/guesser/test_base.py

    @IAlibay
    IAlibay authored Nov 11, 2024
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