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feat(core/geometry): implement alignment algorithms #378

Merged
merged 16 commits into from
Oct 17, 2024
Merged

feat(core/geometry): implement alignment algorithms #378

merged 16 commits into from
Oct 17, 2024

Commits on Oct 15, 2024

  1. feat(core/geometry): implement Kabsch algorithm based on TMalign

    @jnooree
    jnooree committed Oct 15, 2024
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  2. test(core/geometry): add tests for Kabsch algorithm

    @jnooree
    jnooree committed Oct 15, 2024
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  3. feat(core/geometry): support reflection in Kabsch algorithm

    @jnooree
    jnooree committed Oct 15, 2024
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  4. test(core/geometry): also test Kabsch algorithm for reflection

    @jnooree
    jnooree committed Oct 15, 2024
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Commits on Oct 17, 2024

  1. refactor(core/geometry): simplify argmin in Kabsch subroutines

    @jnooree
    jnooree committed Oct 17, 2024
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  2. perf(core/geometry): optimize edge case of Kabsch subroutines

    @jnooree
    jnooree committed Oct 17, 2024
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  3. fix(core/geometry): normalize to zero if squared norm is small enough

    @jnooree
    jnooree committed Oct 17, 2024
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  4. refactor(core/geometry): reorganize Kabsch algorithm code

    @jnooree
    jnooree committed Oct 17, 2024
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  5. docs(algo,core): update references and license information

    @jnooree
    jnooree committed Oct 17, 2024
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  6. docs(algo/geometry): qualify enum references

    @jnooree
    jnooree committed Oct 17, 2024
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  7. refactor(core/geometry): rename KabschMode to AlignMode

    @jnooree
    jnooree committed Oct 17, 2024
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  8. feat(core/geometry): implement QCP alignment algorithm

    @jnooree
    jnooree committed Oct 17, 2024
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  9. perf(core/geometry): improve stability of Kabsch algorithm

    @jnooree
    jnooree committed Oct 17, 2024
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  10. docs(core/geometry): notice references and copyrights of new algorithms

    @jnooree
    jnooree committed Oct 17, 2024
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  11. docs: add missing license notices

    @jnooree
    jnooree committed Oct 17, 2024
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  12. test(core/geometry): update tests for alignment algorithms

    @jnooree
    jnooree committed Oct 17, 2024
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