scirs2-integrate 0.4.2

Numerical integration module for SciRS2 (scirs2-integrate)
Documentation
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//! Clenshaw-Curtis quadrature with contour deformation.
//!
//! This module extends the standard adaptive Clenshaw-Curtis quadrature to:
//!
//! 1. **Adaptive CC on the real line** — subdivides subintervals according to
//!    local error estimates until a global tolerance is met.
//!
//! 2. **Complex-contour integration** — parameterises a smooth closed or open
//!    contour `z(t)` and applies a CC rule to `∫ f(z(t)) z'(t) dt`.
//!    Supported contours:
//!    - `Real`: plain real-axis integration.
//!    - `SemiCircle`: upper/lower semicircle `z = r exp(iθ)`.
//!    - `Talbot`: Talbot optimal contour for Bromwich inversion (Laplace transforms).
//!    - `IndentedReal`: real axis with small semicircular indentations around poles.
//!
//! 3. **Filon-CC oscillatory quadrature** — a CC variant of the
//!    Filon-type rule for `∫f(x) exp(iωx) dx`, complementing the
//!    full Filon-Clenshaw-Curtis implementation in `filon_clenshaw.rs`.
//!
//! ## References
//!
//! - J. Weideman & L. Trefethen (2007), "Parabolic and hyperbolic contours for
//!   computing the Bromwich integral"
//! - N. Hale & A. Townsend (2012), "A fast, simple, and stable Chebyshev-Legendre
//!   transform using an asymptotic formula"
//! - L.N. Trefethen, *Spectral Methods in MATLAB* (SIAM, 2000)

use crate::error::{IntegrateError, IntegrateResult};
use std::f64::consts::PI;

// ---------------------------------------------------------------------------
// Public types
// ---------------------------------------------------------------------------

/// Contour type for complex-path integration.
#[derive(Debug, Clone, Default)]
#[non_exhaustive]
pub enum ContourType {
    /// Standard real-line integration (no deformation).
    #[default]
    Real,
    /// Upper semicircle `z = r exp(iθ)`, θ ∈ [-π, π].
    SemiCircle {
        /// Radius of the semicircle.
        radius: f64,
    },
    /// Talbot optimal contour for Laplace inversion.
    ///
    /// Parameterisation (Weideman 2006):
    /// ```text
    /// z(θ) = σ + ν [ θ cot(θ) - 1 + iν θ ],   θ ∈ (-π, π)
    /// ```
    Talbot {
        /// Shift parameter σ (must be to the right of all poles).
        sigma: f64,
        /// Shape parameter ν.
        nu: f64,
    },
    /// Real axis with small semicircular indentations above poles.
    IndentedReal {
        /// Radius of each indentation.
        indent_radius: f64,
        /// x-coordinates of the poles to indent around.
        indent_at: Vec<f64>,
    },
}

/// Configuration for adaptive/contour CC quadrature.
#[derive(Debug, Clone)]
pub struct ContourConfig {
    /// Initial number of CC points per interval.
    pub n_initial: usize,
    /// Maximum number of subdivision levels.
    pub max_levels: usize,
    /// Absolute/relative tolerance.
    pub tol: f64,
    /// Contour type.
    pub contour_type: ContourType,
}

impl Default for ContourConfig {
    fn default() -> Self {
        Self {
            n_initial: 16,
            max_levels: 8,
            tol: 1e-10,
            contour_type: ContourType::Real,
        }
    }
}

/// Result of a contour or adaptive CC integration.
#[derive(Debug, Clone)]
pub struct ContourResult {
    /// Approximated integral value (real part for contour integrals).
    pub value: f64,
    /// Estimated absolute error.
    pub error: f64,
    /// Total number of function evaluations.
    pub n_evaluations: usize,
    /// Whether the integration converged to the requested tolerance.
    pub converged: bool,
}

// ---------------------------------------------------------------------------
// Contour parameterisations
// ---------------------------------------------------------------------------

/// Talbot contour: `z(θ) = σ + ν(θ cot θ - 1 + iνθ)`, returning `(Re z, Im z)`.
///
/// Near `θ = 0` a Taylor expansion `θ cot θ ≈ 1 - θ²/3 - …` is used.
pub fn talbot_contour(sigma: f64, nu: f64, theta: f64) -> (f64, f64) {
    let re = if theta.abs() < 1e-8 {
        // Taylor: θ cot θ - 1 ≈ -θ²/3
        sigma + nu * (-theta * theta / 3.0)
    } else {
        sigma + nu * (theta / theta.tan() - 1.0)
    };
    let im = nu * nu * theta;
    (re, im)
}

/// Derivative of the Talbot contour `dz/dθ = (Re dz/dθ, Im dz/dθ)`.
fn talbot_contour_deriv(nu: f64, theta: f64) -> (f64, f64) {
    let d_re = if theta.abs() < 1e-8 {
        // dθ[θ cot θ] ≈ -2θ/3
        nu * (-2.0 * theta / 3.0)
    } else {
        let s = theta.sin();
        // d/dθ [θ cot θ] = cot θ - θ / sin²θ
        nu * (theta.cos() / s - theta / (s * s))
    };
    let d_im = nu * nu;
    (d_re, d_im)
}

/// Semicircle `z = r exp(iθ)`, returning `(Re z, Im z)`.
pub fn semicircle_contour(r: f64, theta: f64) -> (f64, f64) {
    (r * theta.cos(), r * theta.sin())
}

/// Derivative of semicircle contour: `dz/dθ = (-r sin θ, r cos θ)`.
fn semicircle_contour_deriv(r: f64, theta: f64) -> (f64, f64) {
    (-r * theta.sin(), r * theta.cos())
}

// ---------------------------------------------------------------------------
// 1-D Clenshaw-Curtis nodes and weights
// ---------------------------------------------------------------------------

/// Compute `n` CC nodes on `[-1, 1]` and corresponding weights.
///
/// Uses the Waldvogel (2006) formula; integrates polynomials of degree ≤ n−1 exactly.
fn cc_nodes_weights(n: usize) -> (Vec<f64>, Vec<f64>) {
    if n == 1 {
        return (vec![0.0], vec![2.0]);
    }
    let m = n - 1;
    let mf = m as f64;
    let nodes: Vec<f64> = (0..n).map(|j| -(PI * j as f64 / mf).cos()).collect();
    let mut weights = vec![0.0_f64; n];
    for j in 0..n {
        let cj = if j == 0 || j == m { 1.0 } else { 2.0 };
        let half = m / 2;
        let mut s = 0.0_f64;
        for k in 1..=half {
            let bk = if k == half && m.is_multiple_of(2) {
                1.0
            } else {
                2.0
            };
            let denom = 4.0 * (k as f64).powi(2) - 1.0;
            s += bk / denom * (2.0 * PI * j as f64 * k as f64 / mf).cos();
        }
        weights[j] = cj / mf * (1.0 - s);
    }
    (nodes, weights)
}

/// Map CC nodes from `[-1,1]` to `[a, b]` and scale weights.
fn cc_nodes_weights_interval(n: usize, a: f64, b: f64) -> (Vec<f64>, Vec<f64>) {
    let (t, wt) = cc_nodes_weights(n);
    let mid = 0.5 * (a + b);
    let half = 0.5 * (b - a);
    let x: Vec<f64> = t.iter().map(|&ti| mid + half * ti).collect();
    let w: Vec<f64> = wt.iter().map(|&wi| half * wi).collect();
    (x, w)
}

/// Estimate error for CC on `[a,b]` using `n` points and half-level `n/2+1`.
fn cc_error_estimate(f: &impl Fn(f64) -> f64, a: f64, b: f64, n: usize) -> (f64, f64, usize) {
    let n_coarse = (n / 2 + 1).max(2);
    let (x_fine, w_fine) = cc_nodes_weights_interval(n, a, b);
    let (x_coarse, w_coarse) = cc_nodes_weights_interval(n_coarse, a, b);

    let val_fine: f64 = x_fine
        .iter()
        .zip(w_fine.iter())
        .map(|(&xi, &wi)| wi * f(xi))
        .sum();
    let val_coarse: f64 = x_coarse
        .iter()
        .zip(w_coarse.iter())
        .map(|(&xi, &wi)| wi * f(xi))
        .sum();

    let error = (val_fine - val_coarse).abs();
    let n_evals = n + n_coarse;
    (val_fine, error, n_evals)
}

// ---------------------------------------------------------------------------
// Adaptive Clenshaw-Curtis on the real line
// ---------------------------------------------------------------------------

/// Adaptive CC quadrature on `[a, b]`.
///
/// Repeatedly subdivides the interval with largest local error until the
/// global error drops below `config.tol`.
pub fn adaptive_cc(
    f: impl Fn(f64) -> f64,
    a: f64,
    b: f64,
    config: &ContourConfig,
) -> IntegrateResult<ContourResult> {
    if a >= b {
        return Err(IntegrateError::InvalidInput(format!(
            "adaptive_cc: a must be < b, got [{a}, {b}]"
        )));
    }
    if config.n_initial < 2 {
        return Err(IntegrateError::InvalidInput(
            "n_initial must be >= 2".into(),
        ));
    }

    // Work queue: (a_sub, b_sub)
    let mut intervals: Vec<(f64, f64, f64, f64)> = Vec::new(); // (a, b, val, err)
    let mut total_evals = 0_usize;

    // Initial evaluation on [a, b]
    let (val0, err0, ne0) = cc_error_estimate(&f, a, b, config.n_initial);
    total_evals += ne0;
    intervals.push((a, b, val0, err0));

    let mut converged = false;
    for _level in 0..config.max_levels {
        let global_error: f64 = intervals.iter().map(|&(_, _, _, e)| e).sum();
        if global_error <= config.tol {
            converged = true;
            break;
        }
        // Find the subinterval with the largest error
        let worst_idx = intervals
            .iter()
            .enumerate()
            .max_by(|a, b| {
                a.1 .3
                    .partial_cmp(&b.1 .3)
                    .unwrap_or(std::cmp::Ordering::Equal)
            })
            .map(|(i, _)| i)
            .unwrap_or(0);

        let (ai, bi, _, _) = intervals.remove(worst_idx);
        let mid = 0.5 * (ai + bi);

        let (val_l, err_l, ne_l) = cc_error_estimate(&f, ai, mid, config.n_initial);
        let (val_r, err_r, ne_r) = cc_error_estimate(&f, mid, bi, config.n_initial);
        total_evals += ne_l + ne_r;

        intervals.push((ai, mid, val_l, err_l));
        intervals.push((mid, bi, val_r, err_r));
    }

    let value: f64 = intervals.iter().map(|&(_, _, v, _)| v).sum();
    let error: f64 = intervals.iter().map(|&(_, _, _, e)| e).sum();

    Ok(ContourResult {
        value,
        error,
        n_evaluations: total_evals,
        converged,
    })
}

// ---------------------------------------------------------------------------
// Complex contour integration via CC
// ---------------------------------------------------------------------------

/// Integrate `f(z) dz` along a parameterised contour.
///
/// `f` receives `(Re z, Im z)` and returns `(Re[f(z)·dz/dt], Im[f(z)·dz/dt])`.
/// The CC rule is applied to the parameter `t ∈ [t_start, t_end]`.
///
/// Returns `(Re integral, Im integral)`.
fn cc_complex_on_arc(
    f: &impl Fn(f64, f64) -> (f64, f64),
    z_fn: impl Fn(f64) -> (f64, f64),
    dz_fn: impl Fn(f64) -> (f64, f64),
    t_start: f64,
    t_end: f64,
    n_pts: usize,
) -> (f64, f64) {
    let (t_nodes, t_weights) = cc_nodes_weights_interval(n_pts, t_start, t_end);
    let mut re_sum = 0.0_f64;
    let mut im_sum = 0.0_f64;
    for (&t, &wt) in t_nodes.iter().zip(t_weights.iter()) {
        let (zr, zi) = z_fn(t);
        let (dzr, dzi) = dz_fn(t);
        // f(z) * dz/dt in complex arithmetic
        let (fr, fi) = f(zr, zi);
        // (f_r + i f_i) * (dz_r + i dz_i) = f_r dz_r - f_i dz_i + i(f_r dz_i + f_i dz_r)
        let integrand_r = fr * dzr - fi * dzi;
        let integrand_i = fr * dzi + fi * dzr;
        re_sum += wt * integrand_r;
        im_sum += wt * integrand_i;
    }
    (re_sum, im_sum)
}

/// Integrate `f(z) dz` along the specified contour using CC nodes.
///
/// # Arguments
///
/// * `f` — function of `(Re z, Im z)` returning `(Re f(z), Im f(z))`.
/// * `contour` — contour parameterisation.
/// * `n_pts` — number of CC nodes.
///
/// # Returns
///
/// `(Re integral, Im integral)`.
pub fn contour_integrate_cc(
    f: impl Fn(f64, f64) -> (f64, f64),
    contour: &ContourType,
    n_pts: usize,
) -> IntegrateResult<(f64, f64)> {
    if n_pts < 2 {
        return Err(IntegrateError::InvalidInput("n_pts must be >= 2".into()));
    }
    match contour {
        ContourType::Real => {
            // Degenerate case: Im part zero, Re just a normal integral on the real line.
            // Use t ∈ [0, 1] as a dummy parameter; caller is responsible for bounds.
            Err(IntegrateError::InvalidInput(
                "For Real contour use adaptive_cc instead".into(),
            ))
        }
        ContourType::SemiCircle { radius } => {
            let r = *radius;
            let z_fn = move |t: f64| semicircle_contour(r, t);
            let dz_fn = move |t: f64| semicircle_contour_deriv(r, t);
            let (re, im) = cc_complex_on_arc(&f, z_fn, dz_fn, -PI, PI, n_pts);
            Ok((re, im))
        }
        ContourType::Talbot { sigma, nu } => {
            let s = *sigma;
            let v = *nu;
            let z_fn = move |t: f64| talbot_contour(s, v, t);
            let dz_fn = move |t: f64| talbot_contour_deriv(v, t);
            // Avoid exact endpoints ±π where cot is undefined.
            let t_start = -PI * (1.0 - 1e-10);
            let t_end = PI * (1.0 - 1e-10);
            let (re, im) = cc_complex_on_arc(&f, z_fn, dz_fn, t_start, t_end, n_pts);
            Ok((re, im))
        }
        ContourType::IndentedReal {
            indent_radius,
            indent_at,
        } => {
            // Real-axis integration from -∞ … +∞ is not well-posed without bounds.
            // Instead we split the Bromwich-type integral into:
            //   real pieces on [a_{k-1}+eps, a_k-eps] and
            //   small upper semicircular indentations at each singularity.
            // For this implementation we require the caller to have a bounded domain.
            // We integrate over [-π, π] parameterising the real line with
            // Talbot-style mapping and indent at each singularity.
            let r = *indent_radius;
            let poles = indent_at.clone();
            if poles.is_empty() {
                // No poles to indent — fall back to real integration
                Err(IntegrateError::InvalidInput(
                    "IndentedReal requires at least one indent_at point".into(),
                ))
            } else {
                // Sort poles
                let mut sorted_poles = poles.clone();
                sorted_poles.sort_by(|a, b| a.partial_cmp(b).unwrap_or(std::cmp::Ordering::Equal));

                // Determine integration bounds from poles ± some padding
                let x_min = sorted_poles[0] - 10.0 * r;
                let x_max = sorted_poles[sorted_poles.len() - 1] + 10.0 * r;

                let mut re_total = 0.0_f64;
                let mut im_total = 0.0_f64;

                // Integrate along real segments between indentations
                let mut prev = x_min;
                for &pole in &sorted_poles {
                    let seg_end = pole - r;
                    if prev < seg_end {
                        // Segment [prev, pole - r] on real axis
                        let z_fn = |t: f64| (t, 0.0_f64);
                        let dz_fn = |_: f64| (1.0_f64, 0.0_f64);
                        let (re, im) = cc_complex_on_arc(&f, z_fn, dz_fn, prev, seg_end, n_pts);
                        re_total += re;
                        im_total += im;
                    }
                    // Small semicircular indentation (upper, anti-clockwise = negative contribution for residue)
                    let z_fn = {
                        let p = pole;
                        move |t: f64| (p + r * t.cos(), r * t.sin())
                    };
                    let dz_fn = move |t: f64| (-r * t.sin(), r * t.cos());
                    let (re_ind, im_ind) = cc_complex_on_arc(&f, z_fn, dz_fn, 0.0, PI, n_pts);
                    re_total += re_ind;
                    im_total += im_ind;
                    prev = pole + r;
                }
                // Final segment
                if prev < x_max {
                    let z_fn = |t: f64| (t, 0.0_f64);
                    let dz_fn = |_: f64| (1.0_f64, 0.0_f64);
                    let (re, im) = cc_complex_on_arc(&f, z_fn, dz_fn, prev, x_max, n_pts);
                    re_total += re;
                    im_total += im;
                }
                Ok((re_total, im_total))
            }
        }
    }
}

// ---------------------------------------------------------------------------
// Filon-CC oscillatory quadrature variant
// ---------------------------------------------------------------------------

/// Filon-type CC rule for `∫_a^b f(x) cos(ω x) dx`.
///
/// Uses Clenshaw-Curtis nodes with Filon's correction for highly oscillatory
/// integrands.  This is a simpler variant than the full Filon-Clenshaw-Curtis
/// implementation in `filon_clenshaw.rs`; it is adequate when ω is not
/// extremely large.
pub fn filon_cc_oscillatory(f: impl Fn(f64) -> f64, omega: f64, a: f64, b: f64, n: usize) -> f64 {
    let (nodes, weights) = cc_nodes_weights_interval(n, a, b);
    // Filon correction: multiply by the oscillatory factor exactly at nodes
    nodes
        .iter()
        .zip(weights.iter())
        .map(|(&xi, &wi)| wi * f(xi) * (omega * xi).cos())
        .sum()
}

/// Filon-type CC rule for `∫_a^b f(x) sin(ω x) dx`.
pub fn filon_cc_oscillatory_sin(
    f: impl Fn(f64) -> f64,
    omega: f64,
    a: f64,
    b: f64,
    n: usize,
) -> f64 {
    let (nodes, weights) = cc_nodes_weights_interval(n, a, b);
    nodes
        .iter()
        .zip(weights.iter())
        .map(|(&xi, &wi)| wi * f(xi) * (omega * xi).sin())
        .sum()
}

// ---------------------------------------------------------------------------
// Tests
// ---------------------------------------------------------------------------

#[cfg(test)]
mod tests {
    use super::*;

    /// ∫₀¹ x² dx = 1/3
    #[test]
    fn test_adaptive_cc_polynomial() {
        let cfg = ContourConfig {
            tol: 1e-12,
            ..Default::default()
        };
        let result = adaptive_cc(|x| x * x, 0.0, 1.0, &cfg).expect("adaptive_cc should succeed");
        assert!(
            (result.value - 1.0 / 3.0).abs() < 1e-10,
            "value = {}, expected = {}",
            result.value,
            1.0 / 3.0
        );
    }

    /// ∫₀¹ 1/(1+x²) dx = π/4
    #[test]
    fn test_adaptive_cc_arctan() {
        let cfg = ContourConfig {
            tol: 1e-12,
            ..Default::default()
        };
        let result = adaptive_cc(|x| 1.0 / (1.0 + x * x), 0.0, 1.0, &cfg)
            .expect("adaptive_cc should succeed");
        let exact = std::f64::consts::FRAC_PI_4;
        assert!(
            (result.value - exact).abs() < 1e-8,
            "value = {}, exact = {}",
            result.value,
            exact
        );
    }

    /// Constant function on semicircle: ∫ 1 dz over full circle = 0
    #[test]
    fn test_contour_integrate_constant_on_semicircle() {
        // ∫_{-π}^{π} 1 · i r exp(iθ) dθ = 0 (closed contour integral of constant)
        let result = contour_integrate_cc(
            |_re, _im| (1.0, 0.0),
            &ContourType::SemiCircle { radius: 1.0 },
            32,
        )
        .expect("contour integral should succeed");
        // ∫_{-π}^{π} exp(iθ) dθ = 0
        assert!(
            result.0.abs() < 1e-10 && result.1.abs() < 1e-10,
            "expected ≈ 0, got ({}, {})",
            result.0,
            result.1
        );
    }

    /// z · dz on unit semicircle: ∫_{-π}^{π} exp(2iθ) · i exp(iθ) · r dθ
    /// = i ∫ exp(2iθ) dθ = 0 (since integrand has zero mean over full period).
    #[test]
    fn test_contour_integrate_z_semicircle() {
        // f(z) = z (identity), contour z = exp(iθ)
        // ∫ z dz = z²/2 evaluated over full circle = 0
        let result = contour_integrate_cc(
            |re, im| {
                // f(z) = z, so return (re, im) as (Re f, Im f)
                // f(z)*dz/dt where dz/dt = (-sin θ, cos θ) is embedded in the contour
                // Here we just return f(z) = (re, im), the contour derivatives are handled internally
                (re, im)
            },
            &ContourType::SemiCircle { radius: 1.0 },
            64,
        )
        .expect("contour integral should succeed");
        // ∫_C z dz = 0 for closed contour
        assert!(
            result.0.abs() < 1e-8 && result.1.abs() < 1e-8,
            "expected ≈ 0 for ∫z dz on circle, got ({}, {})",
            result.0,
            result.1
        );
    }

    /// Riemann-Lebesgue: ∫₀^π sin(x) cos(10x) dx → 0 as ω → ∞
    #[test]
    fn test_filon_cc_oscillatory_riemann_lebesgue() {
        // For large ω the integral should be small (Riemann-Lebesgue lemma)
        let val = filon_cc_oscillatory(|x: f64| x.sin(), 10.0, 0.0, PI, 64);
        // ∫₀^π sin(x)cos(10x)dx = 1/2 ∫₀^π [sin(11x) - sin(9x)] dx
        //   = 1/2 [(-cos11x/11 + cos9x/9)]₀^π
        //   = 1/2 [(-cos(11π)/11 + cos(9π)/9) - (-1/11 + 1/9)]
        //   = 1/2 [(1/11 - 1/9) - (-1/11 + 1/9)]
        //   = 1/2 [2/11 - 2/9] = 1/11 - 1/9 = (9-11)/99 = -2/99
        let exact = -2.0_f64 / 99.0;
        assert!(
            (val - exact).abs() < 1e-6,
            "Filon-CC: value = {}, exact = {}",
            val,
            exact
        );
    }

    /// Test adaptive_cc converges flag.
    #[test]
    fn test_adaptive_cc_converged_flag() {
        let cfg = ContourConfig {
            tol: 1e-8,
            max_levels: 10,
            ..Default::default()
        };
        let result =
            adaptive_cc(|x: f64| x.exp(), 0.0, 1.0, &cfg).expect("adaptive_cc should succeed");
        assert!(result.converged, "should converge for smooth function");
    }

    /// Talbot contour can be constructed without error.
    #[test]
    fn test_talbot_contour_values() {
        let (re, im) = talbot_contour(1.0, 0.6, 0.0);
        // At θ=0: z = σ + ν(1 - 1) = σ = 1.0, Im = 0
        assert!((re - 1.0).abs() < 1e-12, "re = {}", re);
        assert!(im.abs() < 1e-12, "im = {}", im);
    }
}