137 lines
3.6 KiB
Rust
137 lines
3.6 KiB
Rust
//! Stark 加宽轮廓计算（改进版）。
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//!
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//! 重构自 SYNSPEC `starkir.f`
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use crate::tlusty::math::eint;
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/// 物理常量
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const PI: f64 = 3.14159265;
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const PI2: f64 = 2.0 * PI;
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const OS0: f64 = 0.026564;
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const RYD: f64 = 3.28805e15;
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const CL: f64 = 2.997925e10;
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const Y2CON: f64 = PI * PI * 0.5 / OS0 / CL;
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const HK: f64 = 4.79928144e-11;
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/// 计算 Stark 加宽轮廓（改进版）。
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///
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/// # 参数
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///
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/// * `ii` - 下能级主量子数
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/// * `jj` - 上能级主量子数
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/// * `t` - 温度 (K)
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/// * `ane` - 电子密度
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/// * `beta` - Doppler 宽度参数
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/// * `dbeta` - 波长相关系数 (来自 COMMON/AUXHYD/)
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///
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/// # 返回值
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///
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/// Stark 加宽轮廓值
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///
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/// # 备注
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///
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/// 这是用于氢线 Stark 加宽的改进算法。
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/// 使用了量子力学微扰理论和等离子体效应的组合。
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pub fn starkir(ii: i32, jj: i32, t: f64, ane: f64, beta: f64, dbeta: f64) -> f64 {
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let del = beta / dbeta;
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let hkt = HK / t;
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let xii = ii as f64;
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let xjj = jj as f64;
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let xx = xii / xjj;
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let dd = 2.0 * xjj * RYD / del;
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let y1 = xjj * del * 0.5 * hkt;
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let y2 = Y2CON * del * del / ane;
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// 计算统计因子 QSTAT
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let y1_sq = y1 * y1;
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let qstat = 1.5 + 0.5 * (y1_sq - 1.384) / (y1_sq + 1.384);
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let mut qimpa = 0.0;
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// 计算 QIMPA
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if !(y1 > 8.0 || y1 >= y2) {
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let exy2 = if y2 <= 8.0 {
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let (e1, _, _) = eint(y2);
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e1
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} else {
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0.0
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};
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let (e1_y1, _, _) = eint(y1);
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qimpa = 1.438 * (y1 * (1.0 - xx)).sqrt()
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* (0.4 * (-y1).exp() + e1_y1 - 0.5 * exy2);
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}
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// 计算轮廓
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let (prof, ratio) = if beta <= 20.0 {
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let prof = 8.0 / (80.0 + beta * beta * beta);
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let ratio = qstat + qimpa;
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(prof, ratio)
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} else {
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let prof = 1.5 / beta / beta / beta.sqrt();
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let dioi = PI2 * 1.48e-25 * dd * ane
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* (dd.sqrt() * (1.3 * qstat + 0.3 * qimpt()) - 3.9 * RYD * hkt);
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let ratio = qstat * (1.0 + dioi).min(1.25) + qimpa;
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(prof, ratio)
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};
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prof * ratio
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}
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/// 计算 QIMPT（简化版）。
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///
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/// 这是一个占位函数，在完整实现中应该从其他模块获取。
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fn qimpt() -> f64 {
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// TODO: 这个值在原始代码中没有直接定义
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// 需要进一步研究 SYNSPEC 源码来确定正确的实现
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0.0
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}
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#[cfg(test)]
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mod tests {
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use super::*;
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#[test]
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fn test_starkir_basic() {
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// 基本测试：H-alpha 线 (n=3 -> n=2)
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let result = starkir(2, 3, 10000.0, 1e13, 5.0, 1.0);
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assert!(result.is_finite());
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assert!(result > 0.0);
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}
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#[test]
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fn test_starkir_beta_small() {
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// beta <= 20 的情况
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let result = starkir(2, 3, 10000.0, 1e13, 10.0, 1.0);
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assert!(result.is_finite());
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assert!(result > 0.0);
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}
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#[test]
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fn test_starkir_beta_large() {
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// beta > 20 的情况
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let result = starkir(2, 3, 10000.0, 1e13, 50.0, 1.0);
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assert!(result.is_finite());
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assert!(result > 0.0);
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}
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#[test]
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fn test_starkir_y1_large() {
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// y1 > 8 的情况（跳过 qimpa 计算）
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let result = starkir(2, 3, 1000.0, 1e10, 5.0, 0.001);
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assert!(result.is_finite());
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assert!(result > 0.0);
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}
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#[test]
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fn test_starkir_different_quantum_numbers() {
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// 测试不同量子数
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let r1 = starkir(1, 2, 10000.0, 1e13, 5.0, 1.0); // Lyman-alpha
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let r2 = starkir(3, 4, 10000.0, 1e13, 5.0, 1.0); // Paschen-alpha
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let r3 = starkir(2, 4, 10000.0, 1e13, 5.0, 1.0); // H-beta
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assert!(r1.is_finite());
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assert!(r2.is_finite());
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assert!(r3.is_finite());
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}
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}
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