SpectraRust/src/math/tdpini.rs

//! 温度依赖量初始化。
//!
//! 重构自 TLUSTY `tdpini.f`

use crate::state::config::BasNum;
use crate::state::constants::{HALF, H, HK, MDEPTH, UN};
use crate::state::model::{CurOpa, GffPar, ModPar};

use super::gfree0;

// ============================================================================
// TDPINI - 温度依赖量初始化
// ============================================================================

/// 初始化仅依赖温度的量。
///
/// # 参数
///
/// - `basnum` - 基本数值
/// - `modpar` - 模型参数 (会被修改)
/// - `gffpar` - Gaunt 因子参数 (会被修改)
/// - `curopa` - 当前不透明度 (会被修改)
///
/// # Fortran 原始代码
///
/// ```fortran
/// SUBROUTINE TDPINI
///   DO ID=1,ND
///      T=TEMP(ID)
///      T1=UN/T
///      HKT1(ID)=HK*T1
///      HKT21(ID)=HKT1(ID)*T1
///      TK1(ID)=HKT1(ID)/H
///      SQT1(ID)=SQRT(T)
///      TEMP1(ID)=T1
///      CALL GFREE0(ID)
///      EMEL1(ID)=UN
///   END DO
///   DO ID=1,ND-1
///      DELDM(ID)=HALF*(DM(ID+1)-DM(ID))
///      deldmz(id)=deldm(id)
///      if(izscal.eq.1) deldmz(id)=half*(zd(id)-zd(id+1))
///   END DO
///   DEDM1=DM(1)/DENS(1)
/// END
/// ```
pub fn tdpini(
    basnum: &BasNum,
    modpar: &mut ModPar,
    gffpar: &mut GffPar,
    curopa: &mut CurOpa,
) {
    let nd = basnum.nd as usize;
    let izscal = basnum.izscal;

    // 温度依赖量
    for id in 0..nd {
        let t = modpar.temp[id];
        let t1 = UN / t;

        modpar.hkt1[id] = HK * t1;
        modpar.hkt21[id] = modpar.hkt1[id] * t1;
        modpar.tk1[id] = modpar.hkt1[id] / H;
        modpar.sqt1[id] = t.sqrt();
        modpar.temp1[id] = t1;

        // Gaunt 因子初始化
        gfree0(id, &modpar.temp, gffpar);

        // 电子发射系数初始化
        curopa.emel1[id] = UN;
    }

    // 深度差分 (用于光学深度评估)
    for id in 0..(nd - 1) {
        modpar.deldm[id] = HALF * (modpar.dm[id + 1] - modpar.dm[id]);
        modpar.deldmz[id] = modpar.deldm[id];

        // 如果使用几何深度缩放
        if izscal == 1 {
            modpar.deldmz[id] = HALF * (modpar.zd[id] - modpar.zd[id + 1]);
        }
    }

    // 第一个深度的密度/质量比
    modpar.dedm1 = modpar.dm[0] / modpar.dens[0];
}

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

    fn create_test_data() -> (BasNum, ModPar, GffPar, CurOpa) {
        let mut basnum = BasNum::default();
        basnum.nd = 5;
        basnum.izscal = 0;

        let mut modpar = ModPar::default();
        // 设置温度和密度
        for id in 0..5 {
            modpar.temp[id] = 10000.0 + id as f64 * 1000.0;
            modpar.dm[id] = (id + 1) as f64 * 0.1;
            modpar.dens[id] = 1e-7;
        }

        let gffpar = GffPar::new();
        let curopa = CurOpa::default();

        (basnum, modpar, gffpar, curopa)
    }

    #[test]
    fn test_tdpini_basic() {
        let (basnum, mut modpar, mut gffpar, mut curopa) = create_test_data();

        tdpini(&basnum, &mut modpar, &mut gffpar, &mut curopa);

        // 检查温度相关量
        let t0 = 10000.0;
        let t1 = UN / t0;

        assert!((modpar.hkt1[0] - HK * t1).abs() < 1e-10);
        assert!((modpar.sqt1[0] - t0.sqrt()).abs() < 1e-10);
        assert!((modpar.temp1[0] - t1).abs() < 1e-10);
    }

    #[test]
    fn test_tdpini_delta_m() {
        let (basnum, mut modpar, mut gffpar, mut curopa) = create_test_data();

        tdpini(&basnum, &mut modpar, &mut gffpar, &mut curopa);

        // 检查深度差分
        // DELDM[0] = 0.5 * (DM[1] - DM[0]) = 0.5 * (0.2 - 0.1) = 0.05
        assert!((modpar.deldm[0] - 0.05).abs() < 1e-10);
        assert!((modpar.deldmz[0] - 0.05).abs() < 1e-10); // izscal = 0
    }

    #[test]
    fn test_tdpini_emel1() {
        let (basnum, mut modpar, mut gffpar, mut curopa) = create_test_data();

        tdpini(&basnum, &mut modpar, &mut gffpar, &mut curopa);

        // 检查 EMEL1 被初始化为 1
        for id in 0..basnum.nd as usize {
            assert!((curopa.emel1[id] - UN).abs() < 1e-10);
        }
    }

    #[test]
    fn test_tdpini_dedm1() {
        let (basnum, mut modpar, mut gffpar, mut curopa) = create_test_data();

        tdpini(&basnum, &mut modpar, &mut gffpar, &mut curopa);

        // DEDM1 = DM[0] / DENS[0] = 0.1 / 1e-7 = 1e6
        let expected = 0.1 / 1e-7;
        assert!((modpar.dedm1 - expected).abs() < 1e-5);
    }

    #[test]
    fn test_tdpini_with_zscal() {
        let (mut basnum, mut modpar, mut gffpar, mut curopa) = create_test_data();
        basnum.izscal = 1;

        // 设置几何深度
        for id in 0..5 {
            modpar.zd[id] = (5 - id) as f64 * 1e5; // 从表面向内递减
        }

        tdpini(&basnum, &mut modpar, &mut gffpar, &mut curopa);

        // 检查使用几何深度计算的 DELDMZ
        // DELDMZ[0] = 0.5 * (ZD[0] - ZD[1]) = 0.5 * (5e5 - 4e5) = 5e4
        let expected_z = 0.5 * (5e5 - 4e5);
        assert!((modpar.deldmz[0] - expected_z).abs() < 1e-5);
    }
}