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Conformance contract

openproteo-core ships a small conformance harness that codifies the invariants every vendor source is expected to satisfy. The harness is the same set of checks the vendor2mzml convert --validate flag applies before writing mzML.

Invariants​

Given an iterator of SpectrumRecord, the harness verifies, for every record:

  1. Strictly increasing index. Indices start at 0 and increment by 1 across the run.
  2. Non-negative retention_time_sec and monotonically non-decreasing per-control-list (per scan trace within a vendor that interleaves traces).
  3. Peak-array length agreement. mz.len() == intensity.len(). For ion-mobility records, inv_mobility_per_peak, when present, has the same length.
  4. ms_level >= 1. No record may declare itself as level zero.
  5. Sorted mz per spectrum. The peak list is ascending in mz. Equal mz values are permitted (some vendors emit zero- intensity flanking points).
  6. No NaN. Neither mz nor intensity contains NaN; intensity is non-negative.

API​

use openproteo_core::conformance::{assert_iter_invariants, assert_source_invariants};
  • assert_source_invariants(&mut src) consumes the source's iter_spectra() to completion and returns Ok(count) or the first ConformanceError encountered.
  • assert_iter_invariants(iter) works against any IntoIterator<Item = SpectrumRecord> - convenient when the vendor layer is not yet a SpectrumSource.

Errors​

ConformanceError is a small enum with one variant per failure class. Each variant carries the index of the offending spectrum and a human-readable summary; the Display impl is what vendor2mzml convert --validate prints before exiting with status 3.

Stability guarantee​

The invariants listed here are part of the OpenProteo 0.x contract. Adding new invariants is a semver-minor change (a previously-accepted file may start failing); relaxing an invariant is a semver-major change. The exact wording of Display is not part of the API.