模块重构大部分已完成

2026-03-25 12:33:47 +08:00 · 2026-03-25 12:33:47 +08:00 · b71930cf8e
commit b71930cf8e
parent fc64e24fac
3 changed files with 206 additions and 1 deletions
--- a/src/math/mod.rs
+++ b/src/math/mod.rs
@ -187,6 +187,7 @@ mod princ;
 mod pzeval;
 mod prnt;
 mod prsent;
+mod pretab;
 mod profil;
 mod profsp;
 mod quartc;
@ -397,7 +398,7 @@ pub use gamhe::{gamhe, GamheData, GamheParams};
 pub use gami::gami;
 pub use getlal::{getlal, GetlalParams, GetlalResult};
 pub use gamsp::gamsp;
-pub use gfree::{gfree0, gfreed};
+pub use gfree::{gfree0, gfree1, gfreed};
 pub use ghydop::{ghydop, GhydopParams, GhydopResult};
 pub use gaunt::gaunt;
 pub use gntk::gntk;
@ -507,6 +508,7 @@ pub use prchan::{prchan, PrchanParams, PrchanOutput, format_change_report};
 pub use princ::{princ_pure, PrincParams, PrincOutput, PrincTransResult, PrincDepthResult,
    format_princ_header, format_princ_line};
 pub use prsent::{prsent, PrsentParams, PrsentOutput, ThermTables};
+pub use pretab::{pretab, VoigtTables};
 pub use profil::{profil, ProfilParams};
 pub use profsp::{profsp, ProfspParams};
 pub use pfni::pfni;
--- a/src/math/pretab.rs
+++ b/src/math/pretab.rs
@ -0,0 +1,199 @@
+//! Voigt 函数展开系数预计算表。
+//!
+//! 重构自 SYNSPEC `pretab.f`。
+//!
+//! 预计算 Voigt 函数的展开系数表：
+//! - 200 步/Doppler 宽度
+//! - 最多 10 个 Doppler 宽度
+//! - 共 MVOI=2001 个点
+
+use crate::math::interp::interp;
+
+/// Voigt 表步长 (每 Doppler 宽度的步数)
+const VSTEPS: f64 = 200.0;
+
+/// TABVI 数据: 速度值 (0 到 12, 81 点)
+static TABVI: [f64; 81] = [
+    0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9,
+    1.0, 1.1, 1.2, 1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9,
+    2.0, 2.1, 2.2, 2.3, 2.4, 2.5, 2.6, 2.7, 2.8, 2.9,
+    3.0, 3.1, 3.2, 3.3, 3.4, 3.5, 3.6, 3.7, 3.8, 3.9,
+    4.0, 4.2, 4.4, 4.6, 4.8, 5.0, 5.2, 5.4, 5.6, 5.8,
+    6.0, 6.2, 6.4, 6.6, 6.8, 7.0, 7.2, 7.4, 7.6, 7.8,
+    8.0, 8.2, 8.4, 8.6, 8.8, 9.0, 9.2, 9.4, 9.6, 9.8,
+    10.0, 10.2, 10.4, 10.6, 10.8, 11.0, 11.2, 11.4, 11.6, 11.8,
+    12.0,
+];
+
+/// TABH1 数据: H1 展开系数 (81 点)
+static TABH1: [f64; 81] = [
+    -1.12838, -1.10596, -1.04048, -0.93703, -0.80346, -0.64945,
+    -0.48552, -0.32192, -0.16772, -0.03012, 0.08594, 0.17789,
+    0.24537, 0.28981, 0.31394, 0.32130, 0.31573, 0.30094, 0.28027,
+    0.25648, 0.231726, 0.207528, 0.184882, 0.164341, 0.146128,
+    0.130236, 0.116515, 0.104739, 0.094653, 0.086005, 0.078565,
+    0.072129, 0.066526, 0.061615, 0.057281, 0.053430, 0.049988,
+    0.046894, 0.044098, 0.041561, 0.039250, 0.035195, 0.031762,
+    0.028824, 0.026288, 0.024081, 0.022146, 0.020441, 0.018929,
+    0.017582, 0.016375, 0.015291, 0.014312, 0.013426, 0.012620,
+    0.0118860, 0.0112145, 0.0105990, 0.0100332, 0.0095119,
+    0.0090306, 0.0085852, 0.0081722, 0.0077885, 0.0074314,
+    0.0070985, 0.0067875, 0.0064967, 0.0062243, 0.0059688,
+    0.0057287, 0.0055030, 0.0052903, 0.0050898, 0.0049006,
+    0.0047217, 0.0045526, 0.0043924, 0.0042405, 0.0040964,
+    0.0039595,
+];
+
+/// Voigt 函数预计算表。
+///
+/// 包含 H0, H1, H2 三个展开系数数组。
+#[derive(Debug, Clone)]
+pub struct VoigtTables {
+    /// H0 展开系数 (Gauss 轮廓)
+    pub h0tab: Vec<f64>,
+    /// H1 展开系数 (Voigt 轮廓一阶修正)
+    pub h1tab: Vec<f64>,
+    /// H2 展开系数 (Voigt 轮廓二阶修正)
+    pub h2tab: Vec<f64>,
+}
+
+impl Default for VoigtTables {
+    fn default() -> Self {
+        Self::new()
+    }
+}
+
+impl VoigtTables {
+    /// 创建新的 Voigt 表 (未初始化)。
+    pub fn new() -> Self {
+        Self {
+            h0tab: vec![0.0; crate::state::MVOI],
+            h1tab: vec![0.0; crate::state::MVOI],
+            h2tab: vec![0.0; crate::state::MVOI],
+        }
+    }
+
+    /// 预计算 Voigt 展开系数表。
+    ///
+    /// 重构自 SYNSPEC `PRETAB` 子程序。
+    ///
+    /// # 算法
+    /// 1. 设置 H0TAB(i) = (i-1)/VSTEPS 作为速度值
+    /// 2. 使用二次插值从 TABH1 计算 H1TAB
+    /// 3. 计算 H0TAB(i) = exp(-v²) (Gauss 轮廓)
+    /// 4. 计算 H2TAB(i) = H0TAB(i) * (1 - 2v²) (二阶导数)
+    pub fn compute(&mut self) {
+        let n = crate::state::MVOI;
+
+        // 准备插值输入
+        let mut x = TABVI.to_vec();
+        let mut y = TABH1.to_vec();
+        let mut xx = vec![0.0; n];
+        let mut yy = vec![0.0; n];
+
+        // 步骤 1: 设置速度值
+        for i in 0..n {
+            xx[i] = (i as f64) / VSTEPS;
+        }
+
+        // 步骤 2: 插值计算 H1TAB
+        // INTERP(X, Y, XX, YY, NX, NXX, NPOL, ILOGX, ILOGY)
+        // NPOL=2 表示线性插值 (NPOL-1 = 1 阶)
+        interp(&mut x, &mut y, &mut xx, &mut yy, 81, n, 2, 0, 0);
+
+        // 复制插值结果到 H1TAB
+        self.h1tab.copy_from_slice(&yy);
+
+        // 步骤 3 & 4: 计算 H0TAB 和 H2TAB
+        for i in 0..n {
+            let vv = ((i as f64) / VSTEPS) * ((i as f64) / VSTEPS);
+            self.h0tab[i] = (-vv).exp();
+            self.h2tab[i] = self.h0tab[i] - (vv + vv) * self.h0tab[i];
+        }
+    }
+}
+
+/// 预计算 Voigt 展开系数表 (便捷函数)。
+///
+/// # 返回值
+/// 包含 H0TAB, H1TAB, H2TAB 三个数组的结构体
+pub fn pretab() -> VoigtTables {
+    let mut tables = VoigtTables::new();
+    tables.compute();
+    tables
+}
+
+#[cfg(test)]
+mod tests {
+    use super::*;
+    use approx::assert_relative_eq;
+
+    #[test]
+    fn test_pretab_basic() {
+        let tables = pretab();
+
+        // 检查数组大小
+        assert_eq!(tables.h0tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h1tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h2tab.len(), crate::state::MVOI);
+
+        // H0TAB 在 v=0 时应为 1 (exp(0) = 1)
+        assert_relative_eq!(tables.h0tab[0], 1.0, epsilon = 1e-15);
+
+        // H2TAB 在 v=0 时应为 1 (1 - 0*2 = 1)
+        assert_relative_eq!(tables.h2tab[0], 1.0, epsilon = 1e-15);
+
+        // H0TAB 应随 v 增大而减小
+        assert!(tables.h0tab[100] < tables.h0tab[50]);
+        assert!(tables.h0tab[200] < tables.h0tab[100]);
+    }
+
+    #[test]
+    fn test_h0tab_values() {
+        let tables = pretab();
+
+        // 检查一些已知值
+        // v = 0.5 (i=100), H0 = exp(-0.25) ≈ 0.7788
+        let v_100 = 100.0_f64 / VSTEPS;
+        let expected_h0_100 = (-(v_100 * v_100)).exp();
+        assert_relative_eq!(tables.h0tab[100], expected_h0_100, epsilon = 1e-10);
+
+        // v = 1.0 (i=200), H0 = exp(-1) ≈ 0.3679
+        let v_200 = 200.0_f64 / VSTEPS;
+        let expected_h0_200 = (-(v_200 * v_200)).exp();
+        assert_relative_eq!(tables.h0tab[200], expected_h0_200, epsilon = 1e-10);
+    }
+
+    #[test]
+    fn test_h2tab_values() {
+        let tables = pretab();
+
+        // H2 = H0 * (1 - 2*v²)
+        // 在 v = 0.5 时, H2 = H0 * (1 - 0.5) = 0.5 * H0
+        let v_100 = 100.0_f64 / VSTEPS;
+        let vv = v_100 * v_100;
+        let expected_h2 = tables.h0tab[100] * (1.0 - 2.0 * vv);
+        assert_relative_eq!(tables.h2tab[100], expected_h2, epsilon = 1e-10);
+    }
+
+    #[test]
+    fn test_h1tab_interpolation() {
+        let tables = pretab();
+
+        // H1TAB 应该是从 TABH1 插值得到的
+        // 在 v = 0 时, 应该接近 TABH1[0] = -1.12838
+        assert_relative_eq!(tables.h1tab[0], TABH1[0], epsilon = 1e-5);
+
+        // 在 v = 1.0 时 (i=200), 应该在 TABH1[10] 和 TABH1[11] 之间
+        // TABH1[10] = 0.08594 (v=1.0)
+        assert_relative_eq!(tables.h1tab[200], TABH1[10], epsilon = 1e-5);
+    }
+
+    #[test]
+    fn test_voigt_tables_default() {
+        let tables = VoigtTables::default();
+        assert_eq!(tables.h0tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h1tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h2tab.len(), crate::state::MVOI);
+    }
+}
--- a/src/state/constants.rs
+++ b/src/state/constants.rs
@ -103,6 +103,10 @@ pub const MCFE: usize = 7824000;
 /// ODF 频率范围
 pub const MFRO: usize = MFREQL;

+// SYNSPEC 相关
+/// Voigt 表大小 (200 steps per doppler width, up to 10 Doppler widths)
+pub const MVOI: usize = 2001;
+
 // ============================================================================
 // 物理常数 (CGS 单位)
 // ============================================================================