e2c1a4580a
Phase 1 翻译 (完成): - TLUSTY 350 函数 100% 翻译 - SYNSPEC 168 函数 100% 翻译 - ~495 Rust 模块 Phase 2 集成 (完成): - TLUSTY RESOLV 7 个 TODO 全部清除 - TLUSTY Runner IJALI 频率选择实现 - OPFRAC ioniz.dat 解析完整实现 - SYNSPEC Runner 编排流程连接完成 - SYNSPEC RESOLV OPAC→RTE→OUTPRI 调用链完整 Phase 3 验证 (完成, 修复 8 处 bug): - INITIA: compute_hydrogen_level_bounds 索引混合修复 - INILIN: GAMR0/GS0/GW0 展宽公式修复, 经典 VdW 公式修复 - INIBL0: CNM 常数 2.997925e18→e17 修复 - OPAC: Lyman IJ=2 修正缺失修复 - RTE: minv3 矩阵求逆符号错误修复 自动化脚本改进: - specf2r.sh: 添加 429 限流退避、完成检测、同步等待 - SKILL.md: 三阶段工作流 + 状态文件系统 - references/: Phase 1/2/3 独立参考文档 新增: - src/bin/synspec.rs: SYNSPEC 可执行文件入口 - .f2r_phase/.f2r_tasks/.f2r_complete: 状态管理文件 编译: 0 错误 | Clippy: 0 错误 | 测试: voigt 28 + eldens 5 通过 Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
412 lines
14 KiB
Rust
412 lines
14 KiB
Rust
//! He I 线吸收轮廓计算。
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//!
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//! 翻译自 SYNSPEC `PHE1` 函数 (synspec54.f:7372)。
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//!
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//! 计算四条 He I 线的吸收轮廓系数：
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//! - 4471 Å (Barnard, Cooper, Smith 1974 JQSRT 14, 1025)
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//! - 4387 Å (Shamey 1969 PhD thesis)
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//! - 4026 Å
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//! - 4922 Å
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//!
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//! 返回频率单位的轮廓系数，归一化到 sqrt(pi)（不是 1）。
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use super::extprf::extprf;
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use super::voigtk::{voigtk, MVOI};
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use super::wtot;
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use super::yint::yint;
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/// 温度标准值的对数 (log10)
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/// 对应 5000K, 10000K, 20000K, 40000K
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const TT: [f64; 4] = [3.699, 4.000, 4.301, 4.602];
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/// 四条 He I 线的线心波长 (Å)
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const WLAM0: [f64; 4] = [4471.50, 4387.93, 4026.20, 4921.93];
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/// 温度插值区间边界 (log10(T))
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const XT0: [f64; 4] = [3.699, 4.000, 4.301, 4.602];
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/// He I 线吸收轮廓参数。
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///
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/// 包含计算 PHE1 所需的所有数据，
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/// 包括 COMMON/PROHE1 和 COMMON/PRO447 中的轮廓表。
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#[derive(Debug, Clone)]
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pub struct Phe1Params<'a> {
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/// 深度索引 (1-indexed，Fortran 风格)
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pub id: usize,
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/// 频率 (Hz)
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pub freq: f64,
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/// 谱线索引 (1=4471, 2=4387, 3=4026, 4=4922)
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pub iline: usize,
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/// 温度 (K)
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pub temp: f64,
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/// 电子密度
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pub elec: f64,
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/// 湍流速度 (cm/s)
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pub vturb: f64,
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// --- PRO447 COMMON 块数据 (4471 Å 专用) ---
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/// 4471 Å 轮廓数据: PRF447(wavelength, temp, elec_dens)
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/// 维度: [nwlam_447, NT=4, NE_447=7]
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pub prf447: &'a [f64],
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/// 4471 Å 波长偏移表: DLM447(wavelength, elec_dens)
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/// 维度: [nwlam_447, NE_447=7]
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pub dlm447: &'a [f64],
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/// 4471 Å 电子密度网格 (log10): XNE447(7)
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pub xne447: &'a [f64],
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/// 4471 Å 各温度/电子密度组合的波长点数
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/// NWLAM(elec_dens_idx, temp_idx) — 注意 Fortran 维度为 [8,4]
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/// 这里只用于 iline=1, 所以取第一列
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pub nwlam_447: &'a [usize],
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// --- PROHE1 COMMON 块数据 (其他三条线) ---
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/// He I 轮廓数据: PRFHE1(wavelength, temp, elec_dens, line-1)
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/// 维度: [nwlam_he1, NT=4, NE_HE1=8, 3]
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pub prfhe1: &'a [f64],
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/// He I 波长偏移表: DLMHE1(wavelength, elec_dens, line-1)
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/// 维度: [nwlam_he1, NE_HE1=8, 3]
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pub dlmhe1: &'a [f64],
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/// He I 电子密度网格 (log10): XNEHE1(8)
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pub xnehe1: &'a [f64],
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/// He I 各温度/电子密度组合的波长点数
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/// NWLAM(elec_dens_idx, iline) — iline=2,3,4 对应索引 1,2,3
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pub nwlam_he1: &'a [usize],
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/// 最大波长点数 (用于数组维度)
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pub max_wlam_447: usize,
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/// 最大波长点数 (He I)
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pub max_wlam_he1: usize,
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/// Voigt 函数预计算表 H0
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pub h0tab: &'a [f64; MVOI],
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/// Voigt 函数预计算表 H1
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pub h1tab: &'a [f64; MVOI],
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/// Voigt 函数预计算表 H2
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pub h2tab: &'a [f64; MVOI],
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}
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/// 计算单个深度点的温度插值系数。
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///
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/// 等价于 Fortran TINT 对单点的计算。
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fn compute_tint_coeffs(t: f64) -> (i32, f64, f64, f64) {
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let tl = t.log10();
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let j: usize = if tl > TT[2] { 4 } else { 3 };
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let tt_jm2 = TT[j - 3];
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let tt_jm1 = TT[j - 2];
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let tt_j = TT[j - 1];
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let x = (tt_j - tt_jm1) * (tt_j - tt_jm2) * (tt_jm1 - tt_jm2);
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let ti0 = (tl - tt_jm2) * (tl - tt_jm1) * (tt_jm1 - tt_jm2) / x;
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let ti1 = (tl - tt_jm2) * (tt_j - tl) * (tt_j - tt_jm2) / x;
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let ti2 = (tl - tt_jm1) * (tl - tt_j) * (tt_j - tt_jm1) / x;
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(j as i32, ti0, ti1, ti2)
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}
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/// 计算 He I 线吸收轮廓系数。
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///
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/// # 参数
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///
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/// * `params` - PHE1 参数结构体
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///
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/// # 返回值
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///
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/// 轮廓系数 (频率单位，归一化到 sqrt(pi))
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pub fn phe1(params: &Phe1Params) -> f64 {
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let _id = params.id; // 1-indexed
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let freq = params.freq;
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let iline = params.iline; // 1-4
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// 温度修正：考虑湍流速度对 Doppler 宽度的影响
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let t = params.temp + 2.42e-8 * params.vturb;
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let tl = t.log10();
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let ane = params.elec;
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let anel = ane.log10();
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// 波长 (Å)
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let alam = 2.997925e18 / freq;
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// 与线心的波长偏移
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let dlam = alam - WLAM0[iline - 1];
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// Doppler 宽度
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let dopl = (4.125e7 * t).sqrt() * WLAM0[iline - 1] / 2.997925e10;
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// 判断是否使用孤立线近似
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let use_isolated = if tl > XT0[3] + 0.1 {
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true
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} else if iline == 1 && anel >= params.xne447[0] {
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false
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} else { !(iline != 1 && anel >= params.xnehe1[0]) };
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if use_isolated {
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// 孤立线近似：低电子密度情况
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let (jt, ti0, ti1, ti2) = compute_tint_coeffs(t);
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let a = wtot::wtot(t, ane, jt, ti0, ti1, ti2, iline - 1) / dopl;
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let v = dlam.abs() / dopl;
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let v1 = (alam - 4471.682).abs() / dopl;
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let mut result = voigtk(a, v, params.h0tab, params.h1tab, params.h2tab);
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if iline == 1 {
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result = (8.0 * result + voigtk(a, v1, params.h0tab, params.h1tab, params.h2tab)) / 9.0;
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}
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return result;
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}
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// 表插值：高电子密度情况
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let (nx, nz, ny) = (3usize, 3usize, 2usize);
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let (ne, ilne) = if iline == 1 {
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(7usize, 0usize)
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} else {
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(8usize, iline - 1)
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};
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// 电子密度插值：找到位置
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let mut ipz = 1usize;
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for jz in 0..ne - 1 {
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ipz = jz + 1;
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let xne = if iline == 1 {
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params.xne447
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} else {
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params.xnehe1
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};
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if anel <= xne[jz + 1] {
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break;
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}
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}
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let n0z = if ipz < nz / 2 + 1 {
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1
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} else if ipz > ne - nz + 1 {
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ne - nz + 1
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} else {
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ipz - nz / 2
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};
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let n1z = n0z + nz - 1;
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let mut zz = [0.0f64; 3];
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let mut wz = [0.0f64; 3];
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for (i0z_idx, jz) in (n0z..=n1z).enumerate() {
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let xne = if iline == 1 {
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params.xne447
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} else {
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params.xnehe1
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};
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zz[i0z_idx] = xne[jz - 1]; // Fortran 1-indexed
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// 温度插值
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let mut ipx = 1usize;
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for ix in 0..3 {
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ipx = ix + 1;
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if tl <= XT0[ix + 1] {
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break;
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}
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}
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let n0x = if ipx < nx / 2 + 1 {
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1
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} else if ipx > 4 - nx + 1 {
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4 - nx + 1
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} else {
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ipx - nx / 2
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};
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let n1x = n0x + nx - 1;
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let mut xx = [0.0f64; 3];
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let mut wx = [0.0f64; 3];
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for (i0x_idx, ix) in (n0x..=n1x).enumerate() {
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xx[i0x_idx] = XT0[ix - 1];
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// 波长插值
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let nwlst = if iline == 1 {
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params.nwlam_447[(jz - 1) * 4 + (ix - 1)]
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} else {
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params.nwlam_he1[(jz - 1) * 4 + (iline - 1)]
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};
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// 检查是否需要外推
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let (d1, d2, _prf_data, _dlm_data) = if iline == 1 {
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let d1 = params.dlm447[(jz - 1) * params.max_wlam_447];
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let d2 = params.dlm447[(jz - 1) * params.max_wlam_447 + nwlst - 1];
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let _prf_base = (ix - 1) * params.max_wlam_447 * 7 + (jz - 1) * params.max_wlam_447;
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(d1, d2, params.prf447, params.dlm447)
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} else {
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let d1 = params.dlmhe1[(jz - 1) * params.max_wlam_he1 * 3 + ilne * params.max_wlam_he1];
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let d2 = params.dlmhe1[(jz - 1) * params.max_wlam_he1 * 3 + ilne * params.max_wlam_he1 + nwlst - 1];
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(d1, d2, params.prfhe1, params.dlmhe1)
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};
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if dlam < d1 {
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let plast = if iline == 1 {
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params.prf447[(ix - 1) * params.max_wlam_447 * 7 + (jz - 1) * params.max_wlam_447]
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} else {
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params.prfhe1[(ix - 1) * params.max_wlam_he1 * 8 * 3
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+ (jz - 1) * params.max_wlam_he1 * 3
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+ ilne * params.max_wlam_he1]
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};
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wx[i0x_idx] = extprf(dlam, ix, iline, zz[i0z_idx], d1, plast);
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} else if dlam > d2 {
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let plast = if iline == 1 {
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params.prf447[(ix - 1) * params.max_wlam_447 * 7
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+ (jz - 1) * params.max_wlam_447
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+ nwlst - 1]
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} else {
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params.prfhe1[(ix - 1) * params.max_wlam_he1 * 8 * 3
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+ (jz - 1) * params.max_wlam_he1 * 3
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+ ilne * params.max_wlam_he1
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+ nwlst - 1]
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};
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wx[i0x_idx] = extprf(dlam, ix, iline, zz[i0z_idx], d2, plast);
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} else {
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// 波长线性插值
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let mut ipy = 1usize;
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for iy in 0..nwlst - 1 {
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ipy = iy + 1;
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let dlm_next = if iline == 1 {
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params.dlm447[(jz - 1) * params.max_wlam_447 + iy + 1]
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} else {
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params.dlmhe1[(jz - 1) * params.max_wlam_he1 * 3
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+ ilne * params.max_wlam_he1
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+ iy + 1]
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};
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if dlam <= dlm_next {
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break;
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}
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}
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let n0y = if ipy < ny / 2 + 1 {
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1
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} else if ipy > nwlst - ny + 1 {
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nwlst - ny + 1
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} else {
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ipy - ny / 2
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};
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let n1y = n0y + ny - 1;
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let mut yy = [0.0f64; 2];
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let mut pp = [0.0f64; 2];
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for (i0_idx, iy) in (n0y..=n1y).enumerate() {
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if iline == 1 {
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yy[i0_idx] = params.dlm447[(jz - 1) * params.max_wlam_447 + iy - 1];
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pp[i0_idx] = params.prf447[(ix - 1) * params.max_wlam_447 * 7
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+ (jz - 1) * params.max_wlam_447
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+ iy - 1]
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.ln();
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} else {
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yy[i0_idx] = params.dlmhe1[(jz - 1) * params.max_wlam_he1 * 3
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+ ilne * params.max_wlam_he1
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+ iy - 1];
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pp[i0_idx] = params.prfhe1[(ix - 1) * params.max_wlam_he1 * 8 * 3
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+ (jz - 1) * params.max_wlam_he1 * 3
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+ ilne * params.max_wlam_he1
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+ iy - 1];
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}
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}
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let interp_val = (pp[1] * (dlam - yy[0]) + pp[0] * (yy[1] - dlam))
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/ (yy[1] - yy[0]);
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if iline != 1 {
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wx[i0x_idx] = interp_val;
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} else {
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wx[i0x_idx] = interp_val.exp();
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}
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}
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}
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wz[i0z_idx] = yint(&xx, &wx, tl);
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}
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let w0 = yint(&zz, &wz, anel);
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w0 * dopl * 1.772454 // sqrt(pi) ≈ 1.7724539
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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_compute_tint_coeffs() {
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// 在 10000K (log10=4.000), JT=3
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let (jt, ti0, ti1, ti2) = compute_tint_coeffs(10000.0);
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assert_eq!(jt, 3);
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assert!(ti0.is_finite());
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assert!(ti1.is_finite());
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assert!(ti2.is_finite());
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// 在 30000K (log10≈4.477), JT=4
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let (jt, _, _, _) = compute_tint_coeffs(30000.0);
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assert_eq!(jt, 4);
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}
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#[test]
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fn test_phe1_wlam0() {
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// 验证线心波长常量
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assert!((WLAM0[0] - 4471.50).abs() < 0.01);
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assert!((WLAM0[1] - 4387.93).abs() < 0.01);
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assert!((WLAM0[2] - 4026.20).abs() < 0.01);
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assert!((WLAM0[3] - 4921.93).abs() < 0.01);
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}
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#[test]
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fn test_phe1_xt0() {
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// 验证温度插值边界
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for i in 0..4 {
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assert!((XT0[i] - TT[i]).abs() < 1e-10);
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}
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}
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/// 创建测试参数（低电子密度 → 孤立线近似路径）
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fn make_test_params(eline: usize, elec: f64) -> Phe1Params<'static> {
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static PRF447: [f64; 80 * 4 * 7] = [0.0; 80 * 4 * 7];
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static DLM447: [f64; 80 * 7] = [0.0; 80 * 7];
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static XNE447: [f64; 7] = [6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0];
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static NWLAM_447: [usize; 28] = [80; 28];
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static PRFHE1: [f64; 50 * 4 * 8 * 3] = [0.0; 50 * 4 * 8 * 3];
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static DLMHE1: [f64; 50 * 8 * 3] = [0.0; 50 * 8 * 3];
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static XNEHE1: [f64; 8] = [6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0, 13.0];
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static NWLAM_HE1: [usize; 32] = [50; 32];
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static H0TAB: [f64; MVOI] = [0.0; MVOI];
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static H1TAB: [f64; MVOI] = [0.0; MVOI];
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static H2TAB: [f64; MVOI] = [0.0; MVOI];
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Phe1Params {
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id: 1,
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freq: 6.7e14,
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iline: eline,
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temp: 10000.0,
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elec,
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vturb: 0.0,
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prf447: &PRF447,
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dlm447: &DLM447,
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xne447: &XNE447,
|
||
nwlam_447: &NWLAM_447,
|
||
prfhe1: &PRFHE1,
|
||
dlmhe1: &DLMHE1,
|
||
xnehe1: &XNEHE1,
|
||
nwlam_he1: &NWLAM_HE1,
|
||
max_wlam_447: 80,
|
||
max_wlam_he1: 50,
|
||
h0tab: &H0TAB,
|
||
h1tab: &H1TAB,
|
||
h2tab: &H2TAB,
|
||
}
|
||
}
|
||
|
||
#[test]
|
||
fn test_phe1_isolated_line_approx() {
|
||
// 低电子密度 (anel < xne447[0]=6.0) → 孤立线近似路径
|
||
let params = make_test_params(1, 1e5); // anel = 5.0 < 6.0
|
||
let result = phe1(¶ms);
|
||
assert!(result.is_finite(), "PHE1 should return finite value in isolated line path");
|
||
assert!(result >= 0.0, "PHE1 profile should be non-negative");
|
||
}
|
||
|
||
#[test]
|
||
fn test_phe1_all_lines_isolated() {
|
||
// 测试四条线在孤立线近似路径下都能工作
|
||
for iline in 1..=4 {
|
||
let params = make_test_params(iline, 1e5);
|
||
let result = phe1(¶ms);
|
||
assert!(result.is_finite(), "PHE1 line {} should be finite", iline);
|
||
}
|
||
}
|
||
}
|