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Rust API

The pure-Rust crate lineshapes has no Python dependency. Build the same model, with the same parameter vector and evaluator:

use lineshapes::{Evaluator, Model};

let mut m = Model::new()
    .gaussian(933.8, 0.49, 4.1e-5)      // e0, 1/e half-width, beta height
    .voigt(938.3, 0.7, 0.2, 5e-5)       // e0, sigma, gamma (HWHM), height
    .continuum(3.6e-4, -3.7e-7)
    .step(939.4, 6.1, 7.2e-5, 0.0);

let n = m.eval(&energies);              // Vec<Complex64>, single core
let n = m.eval_par(&energies);          // feature "parallel" (default): rayon

let mut theta = m.params();             // flat parameter vector
theta[0] += 0.01;
m.set_params(&theta)?;

let mut ev = Evaluator::new(m, &energies, true);   // bound grid + per-component cache
ev.eval_params_into(&theta, &mut out)?;

Types: Model, Component (the natural parameters of each lineshape) and Evaluator. Constructors panic on invalid parameters; Model::try_add and set_params return a Result instead.

The full API documentation is generated by rustdoc: run cargo doc -p lineshapes --open. Once the crate is published it is on docs.rs/lineshapes.

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