pmcore 0.25.2

Rust library with the building blocks needed to create new Non-Parametric algorithms and its integration with Pmetrics.
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use pmcore::prelude::*;

fn main() {
    let sde = equation::SDE::new(
        |x, p, _t, dx, _rateiv, _cov| {
            fetch_params!(p, ka, ke0, kcp, kpc, _vol);
            dx[3] = -x[3] + ke0;
            let ke = x[3];
            // dbg!(x[3], ke0, dx[3]);
            dx[0] = -ka * x[0];
            dx[1] = ka * x[0] - (ke + kcp) * x[1] + kpc * x[2];
            dx[2] = kcp * x[1] - kpc * x[2];
        },
        |p, d| {
            fetch_params!(p, _ka, _ke0, _kcp, _kpc, _vol, ske);
            d[3] = ske;
        },
        |_p, _t, _cov| lag! {},
        |_p, _t, _cov| fa! {},
        |p, _t, _cov, x| {
            fetch_params!(p, _ka, ke0, _kcp, _kpc, _vol);
            x[3] = ke0;
        },
        |x, p, t, cov, y| {
            fetch_params!(p, _ka, _ke0, _kcp, _kpc, vol);
            fetch_cov!(cov, t, wt);
            y[0] = x[1] / (vol * wt);
        },
        100,
    );

    // let ode = equation::ODE::new(
    //     |x, p, _t, dx, _rateiv, _cov| {
    //         fetch_params!(p, ka, ke0, kcp, kpc, _vol);
    //         dx[0] = -ka * x[0];
    //         dx[1] = ka * x[0] - (ke0 + kcp) * x[1] + kpc * x[2];
    //         dx[2] = kcp * x[1] - kpc * x[2];
    //     },
    //     |_p, _t, _cov| lag! {},
    //     |_p, _t, _cov| fa! {},
    //     |_p, _t, _cov, _x| {},
    //     |x, p, t, cov, y| {
    //         fetch_params!(p, _ka, _ke0, _kcp, _kpc, vol);
    //         fetch_cov!(cov, t, wt);
    //         y[0] = x[1] / (vol);
    //     },
    //     (3, 1),
    // );

    let params = Parameters::new()
        .add("ka", 0.0001, 2.4)
        .add("ke0", 0.0001, 2.7)
        .add("kcp", 0.0001, 2.4)
        .add("kpc", 0.0001, 2.4)
        .add("vol", 0.2, 12.0)
        .add("ske", 0.0001, 0.2);

    let ems = AssayErrorModels::new()
        .add(
            0,
            AssayErrorModel::additive(ErrorPoly::new(0.00119, 0.20, 0.0, 0.0), 0.0),
        )
        .unwrap();

    let mut settings = Settings::builder()
        .set_algorithm(Algorithm::NPAG)
        .set_parameters(params)
        .set_error_models(ems)
        .build();

    settings.set_cycles(usize::MAX);
    settings.set_output_path("examples/vanco_sde/output");
    settings.set_prior(Prior::sobol(100, 347));
    settings.initialize_logs().unwrap();
    let data = data::read_pmetrics("examples/vanco_sde/vanco_clean.csv").unwrap();

    let mut algorithm = dispatch_algorithm(settings, sde, data).unwrap();
    algorithm.initialize().unwrap();
    let mut result = algorithm.fit().unwrap();
    result.write_outputs().unwrap();
}