pub fn build_extended_grid(
data_energies: &[f64],
resolution: Option<&ResolutionParams>,
resonances: &[(f64, f64)],
) -> (Vec<f64>, Vec<usize>)Expand description
Build an extended energy grid with boundary extension and resonance fine-structure for resolution broadening.
Returns (extended_energies, data_indices) where:
extended_energiesis sorted ascending and includes alldata_energiesdata_indices[i]is the index ofdata_energies[i]inextended_energies
When data_energies has fewer than 2 points or resolution is None,
returns a copy of the data grid with identity indices.
§Arguments
data_energies— Experimental energy grid (sorted ascending, eV).resolution— Resolution parameters (for computing boundary width).resonances— (energy_eV, gd_eV) pairs for fine-structure densification.gd = 0.001 * Σ|Γ_i|is the resonance half-width parameter from SAMMY’s Fspken convention.
§SAMMY Reference
dat/mdat4.f90 Escale+Fspken+Add_Pnts, dat/mdata.f90 Vqcon