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sammy_to_resonance_data_multi

Function sammy_to_resonance_data_multi 

Source
pub fn sammy_to_resonance_data_multi(
    inp: &SammyInpConfig,
    par: &SammyParFile,
) -> Result<Vec<(ResonanceData, f64)>, SammyParseError>
Expand description

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

Groups spin groups into “pseudo-isotopes” by isotope label (if present) or by (abundance, target_spin). Each group gets its own ResonanceData with only the resonances belonging to that group’s spin groups.

This is needed for multi-isotope SAMMY cases like tr024 (NatFe: Fe-56 + Fe-54 + Fe-57) and tr034 (Cu-65 + Cu-63).