[WIP] MigrationGraphDoc update#2
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esoteric-ephemera merged 94 commits intoesoteric-ephemera:nebfrom Jun 18, 2025
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function that matches unique_hops in migrationgraph to NEB results docs
classmethod to instantiate MigrationGraphDoc using an existing one and augment its fields using calculations data from NebPathwayResult
add flag in get_paths_summary to specify what kind of barrier is used for cost
provide option to either generate sc fields with "hops_only" or "complete" (default). old version is what's not considered "complete"
use NPR's native max_barriers field
add tests and test files for get_paths_summary_with_neb_res() and augment_from_mgd_and_npr()
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This PR adds functionalities and tests that
All changes are made within emmet-core.