Structs§
- Precursor
Search Index - A built search index over MS1 with per-group eligibility masks.
- RtBuckets
- Coarse RT bucketing over absolute time in seconds (closed intervals).
- Scored
Hit - XicDetails
- XicScore
Opts
Enums§
Functions§
- assign_
ms2_ to_ best_ ms1_ by_ xic - best_
ms1_ for_ each_ ms2 - For each MS2, choose the best MS1 index (by score, then deterministic tie-breaks).
Returns a Vec<Option
> indexed by ms2_idx. - enumerate_
ms2_ ms1_ pairs_ simple - Convenience: build, enumerate, done.
- geom_
match_ score_ precursor - geom_
match_ score_ single_ cluster - Geometric score for a single precursor cluster vs a fragment.
- jaccard_
time - Jaccard overlap in absolute seconds for two closed intervals.
- ms1_
to_ ms2_ map - Build an MS1 → Vec
map from a winner list (ms2→best ms1). Returns a Vec<Vec > with length ms1.len(), where each entry lists MS2 indices. - query_
precursor_ scored - Score a single precursor (cluster or feature) against a set of MS2 candidates.
- query_
precursors_ scored_ par - Score many precursors in parallel.
- score_
pairs - Score all pairs (ms2_idx, ms1_idx).
- xic_
match_ score - xic_
match_ score_ precomputed - xic_
match_ score_ precursor