Refactor trajectory handling to explicit frame-index execution#344

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harryswift01 merged 17 commits into

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306-frame-index-refactor

May 22, 2026

Commits on May 21, 2026

refactor(dag): pass frame index through frame graph without changing frame selection
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refactor(parallel): set up `frame_indicies` within `shared_data`
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refactor(frame): use python slicing semantics
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refactor(frame): update range index frame loop within `ComputeNeighboursNode`
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refactor(trajectory): introduce explicit frame source for DAG execution
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refactor(conformations): use frame selection for dihedral analysis
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refactor(trajectory): standardise explicit frame-index execution
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tests(unit): fix and update unit tests in relation to frame indexing switch
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tests(unit): update `_extract_timeseries` to ensure it follows valid formats
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chore(workflow): remove duplicated type checks on inputs
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