Module sammy 

SAMMY test-suite file parsers.

Parses SAMMY .par (resonance parameters), .inp (input configuration), and .plt (plot reference output) files from the samtry/ test suite. These parsers are intentionally minimal — they cover the subset of SAMMY’s format needed for Phase 1 transmission validation (issue #292).

SAMMY Reference

• SAMMY Manual, Section 2 (input file format)
• SAMMY Manual, Section 8 (parameter file format)
• samtry/tr007/, samtry/tr004/, etc. for concrete examples

Structs

IsotopicMass

Per-isotope mass and abundance entry from “ISOTOPIC MASSES AND ABUNDANCES FOLLOW” section in a SAMMY .par file.

SammyInpConfig

Beamline and sample configuration from a SAMMY .inp file.

SammyParFile

Parsed SAMMY .par file.

SammyParseError

Error from parsing a SAMMY file.

SammyPltRecord

A single record from a SAMMY .plt reference output file.

SammyResonance

A single resonance from a SAMMY .par file.

SammySpinGroup

Spin group definition from .inp Card Set 10.

Enums

SammyObservationType

Observation type parsed from the SAMMY .inp keyword block.

Functions

parse_sammy_inp

Parse a SAMMY .inp file (minimal, for Phase 1 transmission cases).

parse_sammy_par

Parse a SAMMY .par file (resonance parameters).

parse_sammy_plt

Parse a SAMMY .plt file (5-column reference output with header).

sammy_to_nereids_resolution

Convert SAMMY resolution parameters to NEREIDS-convention values.

sammy_to_resonance_data

Convert parsed SAMMY .par + .inp into a NEREIDS ResonanceData.

sammy_to_resonance_data_multi

Convert parsed SAMMY .par + .inp into multiple (ResonanceData, abundance) pairs.