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Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start #4423

Merged
merged 11 commits into from
Jan 20, 2024
Merged

Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start #4423

merged 11 commits into from
Jan 20, 2024

Commits on Jan 12, 2024

  1. Fix bug in PCA trajectory iteration -- avoid explicit usage of self.s… 

    …tart
    @marinegor
    marinegor committed Jan 12, 2024
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  2. update changelog and tests for PCA fix

    @marinegor
    marinegor committed Jan 12, 2024
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  3. Update test_pca.py 

    fix formatting changes
    Egor Marin authored Jan 12, 2024
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Commits on Jan 17, 2024

  1. Replace self._u.trajectory[...] with self._sliced_trajectory

    @marinegor
    marinegor committed Jan 17, 2024
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  2. Update documentaiton

    @marinegor
    marinegor committed Jan 17, 2024
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Commits on Jan 18, 2024

  1. Merge branch 'develop' into bugfix/pca-frames-iteration

    @IAlibay
    IAlibay authored Jan 18, 2024
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  2. Update testsuite/MDAnalysisTests/analysis/test_pca.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @IAlibay
    Egor Marin and IAlibay authored Jan 18, 2024
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  3. Update package/MDAnalysis/analysis/pca.py 

    Co-authored-by: Irfan Alibay <[email protected]>
    @IAlibay
    Egor Marin and IAlibay authored Jan 18, 2024
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  4. Update package/CHANGELOG 

    Co-authored-by: Irfan Alibay <[email protected]>
    @IAlibay
    Egor Marin and IAlibay authored Jan 18, 2024
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  5. revert back to testing with mean=None

    @marinegor
    marinegor committed Jan 18, 2024
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  6. Enforce mean=None when testing with frames

    @marinegor
    marinegor committed Jan 18, 2024
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