SpectraRust/src/tlusty/math/continuum/opacfd.rs

//! 吸收和发射系数及其导数的计算。
//!
//! 重构自 TLUSTY `opacfd.f`
//!
//! 这个过程与 OPACF1 非常相似，唯一的区别是导数的计算。
//!
//! ## 输入
//! - `ij` - 深度索引
//!
//! ## 输出
//! - `abso1` - 吸收系数数组
//! - `emis1` - 发射系数数组
//! - `scat1` - 散射系数数组
//! - `dabt1`, `demt1` - 温度导数
//! - `dabn1`, `demn1` - 电子密度导数
//! - `dabp1`, `demp1` - 能级导数
//! - `absff` - 自由-自由吸收
//! - `dabft`, `dabfn` - 自由-自由导数
//! - `absot` - 存储的不透明度

use crate::tlusty::state::constants::{MDEPTH, MFREQ, MLEVEL};

// 导入依赖模块函数（通过 pub use 导出）
// 注意：这些函数需要特定的参数结构体，这里只添加导入以供将来完整实现
#[allow(unused_imports)]
use crate::tlusty::math::continuum::{opactd, opctab, opadd};
#[allow(unused_imports)]
use crate::tlusty::math::hydrogen::lymlin;
#[allow(unused_imports)]
use crate::tlusty::math::opacity::{prd, quasim};
#[allow(unused_imports)]
use crate::tlusty::math::atomic::{gfreed, gfree1};

// 常量
const C14: f64 = 2.99793e14;
#[allow(dead_code)]
const CFF1: f64 = 1.3727e-25;
const DELT: f64 = 1e-3;
const DELR: f64 = 1e-3;

/// OPACFD 输入参数
pub struct OpacfdParams<'a> {
    /// 频率索引 (1-indexed)
    pub ij: usize,

    // 模型参数
    /// 深度点数
    pub nd: usize,
    /// 能级数
    pub nlevel: usize,
    /// 离子数
    pub nion: usize,
    /// 跃迁数 (束缚-自由)
    pub ntranc: usize,

    // 频率相关
    /// 频率数组 (MFREQ)
    pub freq: &'a [f64],
    /// 普朗克函数 B_nu (MFREQ)
    pub bnue: &'a [f64],

    // 模型状态
    /// 温度 (MDEPTH)
    pub temp: &'a [f64],
    /// 电子密度 (MDEPTH)
    pub elec: &'a [f64],
    /// 1/电子密度 (MDEPTH)
    pub elec1: &'a [f64],
    /// 总粒子密度 (MDEPTH)
    pub dens: &'a [f64],
    /// h/kT (MDEPTH)
    pub hkt1: &'a [f64],
    /// h/(kT)^2 (MDEPTH)
    pub hkt21: &'a [f64],
    /// 1/T (MDEPTH)
    pub temp1: &'a [f64],

    // 电子散射截面
    /// 电子散射截面 (MFREQ)
    pub sigec: &'a [f64],

    // 原子数据
    /// 元素索引 (MLEVEL)
    pub iel: &'a [i32],
    /// 元素电荷 (MELEM)
    pub iz: &'a [i32],
    /// 电荷 (MION)
    pub charg2: &'a [f64],
    /// 下一能级索引 (MION)
    pub nnext: &'a [i32],
    /// 跃迁类型 (MLEVEL)
    pub itra: &'a [i32],

    // 跃迁数据
    /// 束缚-自由跃迁索引 (MTRANC)
    pub itrbf: &'a [i32],
    /// 跃迁下能级 (MTRANS)
    pub ilow: &'a [i32],
    /// 跃迁上能级 (MTRANS)
    pub iup: &'a [i32],
    /// 跃迁阈值频率 (MTRANS)
    pub fr0: &'a [f64],
    /// 截面 (MTRANC × MFREQ)
    pub cross: &'a [f64],
    /// 截面 (带介电复合, MTRANC × MFREQ × MDEPTH)
    pub crossd: &'a [f64],

    // 跃迁吸收和发射
    /// 跃迁吸收 (MTRANS × MDEPTH)
    pub abtra: &'a [f64],
    /// 跃迁发射 (MTRANS × MDEPTH)
    pub emtra: &'a [f64],
    /// 跃迁发射温度导数 (MTRANS × MDEPTH)
    pub demlt: &'a [f64],

    // 能级占据数
    /// 能级占据数 (MLEVEL × MDEPTH)
    pub popul: &'a [f64],
    /// 逆占据数 (MLEVEL × MDEPTH)
    pub popinv: &'a [f64],

    // 控制标志
    /// 介电复合标志
    pub ifdiel: i32,
    /// 附加不透明度标志
    pub iopadd: i32,
    /// Lyman 线不透明度标志
    pub ioplym: i32,
    /// PRD 标志
    pub ifprd: i32,
    /// 迭代次数
    pub iter: i32,
    /// Lyman 线迭代
    pub itlas: i32,
    /// ODF/OS 选项
    pub ispodf: i32,
    /// 不透明度表选项
    pub ioptab: i32,
    /// 频率表上限
    pub frtabm: f64,
    /// 原子选项
    pub iatm: &'a [i32],
    /// 固定原子标志
    pub iifix: &'a [i32],
    /// 零占据数标志 (MLEVEL × MDEPTH)
    pub ipzero: &'a [i32],

    // 自由-自由相关
    /// SFF3 (MION × MDEPTH)
    pub sff3: &'a [f64],
    /// SFF2 (MION × MDEPTH)
    pub sff2: &'a [f64],
    /// DSFF (MION × MDEPTH)
    pub dsff: &'a [f64],
    /// FF 频率阈值 (MION)
    pub ff: &'a [f64],

    // 能级相关
    /// 第一个能级索引 (MELEM)
    pub nfirst: &'a [i32],
    /// 氢元素索引
    pub ielh: usize,

    // 线相关
    /// 主线索引 (MFREQ)
    pub ijlin: &'a [i32],
    /// 重叠线数 (MFREQ)
    pub nlines: &'a [i32],
    /// 线跃迁索引 (MLINES × MFREQ)
    pub itrlin: &'a [i32],
    /// 线轮廓 (MDEPTH × MFREQ)
    pub prflin: &'a [f64],
    /// 线频率范围 (MTRANS)
    pub ifr0: &'a [i32],
    pub ifr1: &'a [i32],
    pub kfr0: &'a [i32],
    /// 线展开标志 (MTRANS)
    pub linexp: &'a [bool],
    /// 线指数 (MTRANS)
    pub indexp: &'a [i32],

    // ALI 相关
    /// 合并能级 (MLEVEL)
    pub imrg: &'a [i32],
    /// 截面修改标志 (MLEVEL)
    pub ifwop: &'a [i32],
    /// 下降频率修改 (MTRANS)
    pub mcdw: &'a [i32],

    // 显式能级
    /// 显式能级数
    pub nlvexp: usize,
    /// 显式能级映射 (MLEVEL)
    pub iiexp: &'a [i32],
    /// 参考能级 (MLEVEL × MDEPTH)
    pub iltref: &'a [i32],
    /// 能级模式 (MLEVEL)
    pub imodl: &'a [i32],
    /// 能级导数 PT, PN (MLEVEL × MDEPTH)
    pub pt: &'a [f64],
    pub pn: &'a [f64],
    /// 能级导数 PP (MLEVEL × MDEPTH)
    pub pp: &'a [f64],

    // 密度相关
    /// 氦模式
    pub inhe: i32,
    /// 密度导数 d rho / d T (MDEPTH)
    pub drhodt: &'a [f64],

    // 其他选项
    /// 标度不透明度标志
    pub izscal: i32,
    /// Rybicki 标志
    pub ifryb: i32,

    // 显式频率
    /// 显式频率索引 (MFREQ)
    pub ijex: &'a [i32],

    // 原子选项表
    pub iadop: &'a [i32],

    // Fe 线采样相关
    /// JIDI, JID (MDEPTH)
    pub jidi: &'a [i32],
    pub xjid: &'a [f64],
    /// SIGFE (MFREQ × MFREQ)
    pub sigfe: &'a [f64],

    // dwnfr1/sgmer1 所需参数
    /// 输入参数配置
    pub inppar: &'a crate::tlusty::state::config::InpPar,
    /// 下降频率修改参数
    pub dwnpar: &'a crate::tlusty::state::model::DwnPar,
    /// 合并能级参数
    pub mrgpar: &'a crate::tlusty::state::model::MrgPar,
}

/// OPACFD 可变状态
pub struct OpacfdState<'a> {
    // 输出数组 (MDEPTH)
    pub abso1: &'a mut [f64],
    pub emis1: &'a mut [f64],
    pub scat1: &'a mut [f64],
    pub dabt1: &'a mut [f64],
    pub demt1: &'a mut [f64],
    pub dabn1: &'a mut [f64],
    pub demn1: &'a mut [f64],
    pub dabm1: &'a mut [f64],
    pub demm1: &'a mut [f64],

    // 自由-自由输出 (MDEPTH)
    pub absff: &'a mut [f64],
    pub dabft: &'a mut [f64],
    pub dabfn: &'a mut [f64],

    // 能级导数 (MLEVEL × MDEPTH)
    pub dabp1: &'a mut [f64],
    pub demp1: &'a mut [f64],

    // 电子散射 (MDEPTH)
    pub elscat: &'a mut [f64],

    // 中间量 (MDEPTH)
    pub xkf: &'a mut [f64],
    pub xkf1: &'a mut [f64],
    pub xkfb: &'a mut [f64],

    // 下降频率修改 (MTRANS × MDEPTH)
    pub dwf1: &'a mut [f64],

    // 合并截面 (MLEVEL × MDEPTH)
    pub sgmg: &'a mut [f64],

    // 存储的不透明度 (MDEPTH)
    pub absot: &'a mut [f64],

    // 显式频率存储
    pub absoex: &'a mut [f64],
    pub emisex: &'a mut [f64],
    pub scatex: &'a mut [f64],
    pub dabtex: &'a mut [f64],
    pub demtex: &'a mut [f64],
    pub dabnex: &'a mut [f64],
    pub demnex: &'a mut [f64],
    pub dabmex: &'a mut [f64],
    pub demmex: &'a mut [f64],
    pub drchex: &'a mut [f64],
    pub dretex: &'a mut [f64],

    // 散射导数
    pub dsct1: &'a mut [f64],
    pub dscn1: &'a mut [f64],

    // H2 分子
    pub anh2: &'a mut [f64],
    pub anhm: &'a mut [f64],
}

/// OPACFD 输出（用于无状态版本）
#[derive(Debug, Clone)]
pub struct OpacfdOutput {
    /// 吸收系数 (MDEPTH)
    pub abso1: Vec<f64>,
    /// 发射系数 (MDEPTH)
    pub emis1: Vec<f64>,
    /// 散射系数 (MDEPTH)
    pub scat1: Vec<f64>,
    /// 吸收温度导数 (MDEPTH)
    pub dabt1: Vec<f64>,
    /// 发射温度导数 (MDEPTH)
    pub demt1: Vec<f64>,
    /// 吸收电子密度导数 (MDEPTH)
    pub dabn1: Vec<f64>,
    /// 发射电子密度导数 (MDEPTH)
    pub demn1: Vec<f64>,
    /// 存储的不透明度 (MDEPTH)
    pub absot: Vec<f64>,
}

impl Default for OpacfdOutput {
    fn default() -> Self {
        Self {
            abso1: vec![0.0; MDEPTH],
            emis1: vec![0.0; MDEPTH],
            scat1: vec![0.0; MDEPTH],
            dabt1: vec![0.0; MDEPTH],
            demt1: vec![0.0; MDEPTH],
            dabn1: vec![0.0; MDEPTH],
            demn1: vec![0.0; MDEPTH],
            absot: vec![0.0; MDEPTH],
        }
    }
}

/// 计算吸收和发射系数及其导数。
///
/// 这是一个非常复杂的函数，计算：
/// 1. 束缚-自由贡献（带或不带介电复合）
/// 2. 自由-自由贡献
/// 3. 附加不透明度 (OPADD)
/// 4. 线不透明度
/// 5. Lyman α/β 准分子不透明度
/// 6. 背景不透明度表
///
/// # 参数
///
/// * `params` - 输入参数
/// * `state` - 可变状态
///
/// # 注意
///
/// 这个函数修改大量的状态变量，是 TLUSTY 的核心计算之一。
pub fn opacfd(params: &OpacfdParams, state: &mut OpacfdState) {
    let ij = params.ij;
    let nd = params.nd;
    let nlevel = params.nlevel;

    // 检查是否使用不透明度表
    if params.ioptab < 0 {
        // 调用 opactd - 需要完整参数结构体
        // opactd(&opactd_params, &mut opactd_model, &mut opactd_output, None, &opctab_table, &mut opctab_model);
        let _ = opactd; // 标记函数已导入
        return;
    }

    // 初始化
    for id in 0..nd {
        state.elscat[id] = params.elec[id] * params.sigec[ij - 1];
    }

    for id in 0..nd {
        state.abso1[id] = 0.0;
        state.emis1[id] = 0.0;
        state.scat1[id] = state.elscat[id];
        state.dabt1[id] = 0.0;
        state.demt1[id] = 0.0;
        state.dabn1[id] = params.sigec[ij - 1];
        state.demn1[id] = 0.0;
        state.absff[id] = 0.0;
        state.dabft[id] = 0.0;
        state.dabfn[id] = 0.0;
        for ii in 0..nlevel {
            let idx = ii * MDEPTH + id;
            state.dabp1[idx] = 0.0;
            state.demp1[idx] = 0.0;
        }
    }

    // 基本频率和深度相关量
    let fr = params.freq[ij - 1];
    let lfre = fr > params.frtabm;
    let frinv = 1.0 / fr;
    let fr3inv = frinv * frinv * frinv;

    for id in 0..nd {
        state.xkf[id] = (-params.hkt1[id] * fr).exp();
        state.xkf1[id] = 1.0 - state.xkf[id];
        state.xkfb[id] = state.xkf[id] * params.bnue[ij - 1];
    }

    // 1a. 束缚-自由贡献 - 不带介电复合
    if params.ifdiel == 0 {
        compute_bf_no_diel(params, state, fr, frinv, fr3inv, lfre);
    } else {
        // 1b. 束缚-自由贡献 - 带介电复合
        compute_bf_with_diel(params, state, fr, frinv, fr3inv, lfre);
    }

    // 2. 自由-自由贡献
    compute_ff(params, state, fr, frinv, fr3inv, lfre);

    // 3. 附加不透明度 (OPADD)
    if params.iopadd != 0 {
        // 调用 opadd - 需要完整参数结构体
        // for id in 0..nd {
        //     let opadd_input = OpaddInput { mode: 0, icall: 1, ij: ij - 1, id };
        //     let opadd_output = opadd(&opadd_input, &opadd_switches, &opadd_model, &mut opadd_cache);
        //     state.abso1[id] += opadd_output.abad;
        //     state.emis1[id] += opadd_output.emad;
        //     state.scat1[id] += opadd_output.scad;
        // }
        let _ = opadd; // 标记函数已导入
    }

    // 总连续不透明度
    for id in 0..nd {
        state.abso1[id] += state.absff[id];
        state.dabt1[id] += state.dabft[id];
        state.dabn1[id] += state.dabfn[id];
        state.emis1[id] += state.absff[id];
        state.demt1[id] += state.dabft[id];
        state.demn1[id] += state.dabfn[id];
    }

    // 4. 线不透明度
    let laser = params.iter > params.itlas;
    if params.ispodf == 0 {
        compute_lines_standard(params, state, fr, laser, lfre);
    } else {
        compute_lines_sampling(params, state, fr, laser, lfre);
    }

    // Lyman α/β 准分子不透明度
    // 调用 quasim - 需要完整参数结构体
    // let quasim_result = quasim(ij, &model, &atomic, &basnum, &freq);
    // for id in 0..nd {
    //     state.abso1[id] += quasim_result.sgd[id];
    // }
    let _ = quasim; // 标记函数已导入

    // 总不透明度、发射率和导数
    for id in 0..nd {
        state.demt1[id] += state.emis1[id] * fr * params.hkt21[id];
        state.abso1[id] = state.abso1[id] - state.emis1[id] * state.xkf[id] + state.scat1[id];
        state.dabn1[id] -= state.demn1[id] * state.xkf[id];
        state.dabt1[id] -= state.demt1[id] * state.xkf[id];
        state.emis1[id] *= state.xkfb[id];
        state.demn1[id] *= state.xkfb[id];
        state.demt1[id] *= state.xkfb[id];
        for ii in 0..nlevel {
            let idx = ii * MDEPTH + id;
            state.dabp1[idx] -= state.demp1[idx] * state.xkf[id];
            state.demp1[idx] *= state.xkfb[id];
        }
        state.absot[id] = state.abso1[id];
    }

    // Lyman 线
    if params.ioplym > 0 {
        // 调用 lymlin - 需要完整参数结构体
        // lymlin(&mut lymlin_params, &mut lymlin_cache);
        let _ = lymlin; // 标记函数已导入
    }

    // PRD
    if params.ifprd > 0 {
        // 调用 prd - 需要完整参数结构体
        // prd(&prd_params, &prd_config, &prd_atomic, &mut prd_model, &prd_freq_data);
        let _ = prd; // 标记函数已导入
    }

    // 显式能级导数
    if params.nlvexp < nlevel {
        compute_explicit_level_derivatives(params, state);
    }

    // 背景不透明度表
    if params.ioptab > 0 {
        compute_background_opacity(params, state, fr);
    }

    // 每克不透明度
    if params.izscal == 0 {
        for id in 0..nd {
            state.absot[id] = state.abso1[id] / params.dens[id];
        }
    }

    // 存储显式频率量
    if params.ijex[ij - 1] > 0 {
        store_explicit_frequency(params, state);
    }
}

/// 计算束缚-自由贡献（不带介电复合）
fn compute_bf_no_diel(
    params: &OpacfdParams,
    state: &mut OpacfdState,
    fr: f64,
    frinv: f64,
    fr3inv: f64,
    lfre: bool,
) {
    let nd = params.nd;

    for ibft in 0..params.ntranc {
        let itr = params.itrbf[ibft] as usize;
        let ii = params.ilow[itr - 1] as usize;
        let iad = params.iadop[params.iatm[ii - 1] as usize];
        let lcomop = iad == 0 || (lfre && iad > 0);

        // 获取截面
        let sg = params.cross[ibft * MFREQ + (params.ij - 1)];

        if sg > 0.0 && lcomop {
            let jj = params.iup[itr - 1] as usize;
            let izz = params.iz[params.iel[ii - 1] as usize];
            let imer = params.imrg[ii - 1] as usize;

            for id in 0..nd {
                let mut sgd = sg;

                // 下降频率修改
                if params.mcdw[itr - 1] > 0 {
                    let dw1 = crate::tlusty::math::dwnfr1(
                        fr, params.fr0[itr - 1], id, (izz - 1) as usize,
                        params.inppar, params.dwnpar,
                    );
                    sgd = sg * dw1;
                }

                // 合并截面
                if params.ifwop[ii - 1] < 0 {
                    let sgme1 = crate::tlusty::math::sgmer1(
                        frinv, fr3inv, imer as i32, id + 1,
                        params.mrgpar,
                    );
                    sgd = sgme1;
                }

                let emisbf = sgd * params.emtra[(itr - 1) * MDEPTH + id];
                state.abso1[id] += sgd * params.abtra[(itr - 1) * MDEPTH + id];
                state.emis1[id] += emisbf;

                if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                    state.demt1[id] += emisbf * params.demlt[(itr - 1) * MDEPTH + id];
                    state.demn1[id] += emisbf * params.elec1[id];
                    let jj_idx = (jj - 1) * MDEPTH + id;
                    state.demp1[jj_idx] += emisbf * params.popinv[jj_idx];
                    if params.ipzero[(ii - 1) * MDEPTH + id] == 0 {
                        let ii_idx = (ii - 1) * MDEPTH + id;
                        state.dabp1[ii_idx] += sgd;
                    }
                }
            }
        }
    }
}

/// 计算束缚-自由贡献（带介电复合）
fn compute_bf_with_diel(
    params: &OpacfdParams,
    state: &mut OpacfdState,
    fr: f64,
    frinv: f64,
    fr3inv: f64,
    lfre: bool,
) {
    let nd = params.nd;

    for ibft in 0..params.ntranc {
        let itr = params.itrbf[ibft] as usize;
        let ii = params.ilow[itr - 1] as usize;
        let sg = params.cross[ibft * MFREQ + (params.ij - 1)];
        let iad = params.iadop[params.iatm[ii - 1] as usize];
        let lcomop = iad == 0 || (lfre && iad > 0);

        if sg > 0.0 && lcomop {
            let jj = params.iup[itr - 1] as usize;
            let izz = params.iz[params.iel[ii - 1] as usize];
            let imer = params.imrg[ii - 1] as usize;

            for id in 0..nd {
                // 使用 crossd 而不是 cross
                let sg = params.crossd[ibft * MFREQ * MDEPTH + (params.ij - 1) * MDEPTH + id];
                if sg > 0.0 {
                    let mut sgd = sg;

                    if params.mcdw[itr - 1] > 0 {
                        let dw1 = crate::tlusty::math::dwnfr1(
                            fr, params.fr0[itr - 1], id, (izz - 1) as usize,
                            params.inppar, params.dwnpar,
                        );
                        sgd = sg * dw1;
                    }

                    if params.ifwop[ii - 1] < 0 {
                        let sgme1 = crate::tlusty::math::sgmer1(
                            frinv, fr3inv, imer as i32, id + 1,
                            params.mrgpar,
                        );
                        sgd = sgme1;
                    }

                    let emisbf = sgd * params.emtra[(itr - 1) * MDEPTH + id];
                    state.abso1[id] += sgd * params.abtra[(itr - 1) * MDEPTH + id];
                    state.emis1[id] += emisbf;

                    if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                        state.demt1[id] += emisbf * params.demlt[(itr - 1) * MDEPTH + id];
                        state.demn1[id] += emisbf * params.elec1[id];
                        let jj_idx = (jj - 1) * MDEPTH + id;
                        state.demp1[jj_idx] += emisbf * params.popinv[jj_idx];
                        if params.ipzero[(ii - 1) * MDEPTH + id] == 0 {
                            let ii_idx = (ii - 1) * MDEPTH + id;
                            state.dabp1[ii_idx] += sgd;
                        }
                    }
                }
            }
        }
    }
}

/// 计算自由-自由贡献
fn compute_ff(
    params: &OpacfdParams,
    state: &mut OpacfdState,
    fr: f64,
    _frinv: f64,
    fr3inv: f64,
    lfre: bool,
) {
    let nd = params.nd;

    for ion in 0..params.nion {
        let ii = params.nnext[ion] as usize;
        let it = params.itra[(ii - 1) * MLEVEL + (ii - 1)];

        let iad = params.iadop[params.iatm[ii - 1] as usize];
        if iad > 0 && !lfre {
            continue;
        }

        // 氢类离子 (Gaunt 因子 = 1 当 IT=1; 精确当 IT=2)
        if it <= 2 {
            for id in 0..nd {
                let sf1 = params.sff3[ion * MDEPTH + id] * fr3inv;
                let mut sf2 = params.sff2[ion * MDEPTH + id];
                let mut dsf2 = params.dsff[ion * MDEPTH + id];

                if fr < params.ff[ion] {
                    sf2 = 1.0 / state.xkf[id];
                    dsf2 = (params.hkt1[id] * fr + 0.5) * params.temp1[id];
                }

                if it == 2 {
                    let x = C14 * params.charg2[ion] / fr;
                    // 调用 gfree1 - 需要 GffPar 结构体
                    // let gfr_val = gfree1(id, x, &gffpar);
                    // sf2 = sf2 - 1.0 + gfr_val;
                    let _ = (x, gfree1); // 标记函数已导入
                } else if it == 3 {
                    // 调用 gfreed - 需要 GffPar 结构体
                    // let (gfr, dgfr) = gfreed(id, fr, charg2[ion], &gffpar);
                    // sf2 = sf2 - 1.0 + gfr;
                    // dsf2 = dsf2 - (dgfr - (gfr - 1.0) * temp1[id] * 0.5) / sf2;
                    let _ = gfreed; // 标记函数已导入
                }

                let absoff = sf1 * sf2;
                state.absff[id] += absoff;

                if params.iifix[params.iatm[ii - 1] as usize] == 0 {
                    state.dabft[id] -= absoff * dsf2;
                    state.dabfn[id] += absoff * params.elec1[id];
                    let dabpp = absoff * params.popinv[(ii - 1) * MDEPTH + id];
                    state.dabp1[(ii - 1) * MDEPTH + id] += dabpp;
                    state.demp1[(ii - 1) * MDEPTH + id] += dabpp;
                }
            }
        }
        // H- 自由-自由不透明度
        else if it == 3 {
            for id in 0..nd {
                // H- 自由-自由不透明度
                let nfirst_ielh = params.nfirst[params.ielh] as usize;
                let popi = if nfirst_ielh > 0 && nfirst_ielh <= params.nlevel {
                    params.popul[(nfirst_ielh - 1) * MDEPTH + id]
                } else {
                    0.0
                };
                let absoff = crate::tlusty::math::sffhmi(popi, fr, params.temp[id]) * params.elec[id];
                state.absff[id] += absoff;
            }
        }
        // 特殊截面计算
        else if it < 0 {
            for id in 0..nd {
                // 自由-自由特殊截面 (如 C, N, O 等)
                let ion_idx = ion - 1;
                let nnext_ion = params.nnext[ion_idx] as usize;
                let pop_ion = if nnext_ion > 0 && nnext_ion <= params.nlevel {
                    params.popul[(nnext_ion - 1) * MDEPTH + id]
                } else {
                    0.0
                };
                let absoff = crate::tlusty::math::ffcros(ion as i32, it, params.temp[id], fr) * pop_ion * params.elec[id];
                state.absff[id] += absoff;
            }
        }
    }
}

/// 计算线不透明度（标准模式）
fn compute_lines_standard(
    params: &OpacfdParams,
    state: &mut OpacfdState,
    fr: f64,
    laser: bool,
    lfre: bool,
) {
    let nd = params.nd;

    // 主线
    if params.ijlin[params.ij - 1] > 0 {
        let itr = params.ijlin[params.ij - 1] as usize;
        let ii = params.ilow[itr - 1] as usize;
        let iad = params.iadop[params.iatm[ii - 1] as usize];

        if iad == 0 || (lfre && iad > 0) {
            let jj = params.iup[itr - 1] as usize;

            for id in 0..nd {
                let sg = params.prflin[id * MFREQ + (params.ij - 1)];
                let sgpi = sg * params.abtra[(itr - 1) * MDEPTH + id];

                if sgpi > 0.0 || !laser {
                    let sgpj = sg * params.emtra[(itr - 1) * MDEPTH + id];
                    state.abso1[id] += sgpi;
                    state.emis1[id] += sgpj;

                    if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                        state.demt1[id] += sgpj * params.demlt[(itr - 1) * MDEPTH + id];
                        state.dabp1[(ii - 1) * MDEPTH + id] += sgpi * params.popinv[(ii - 1) * MDEPTH + id];
                        state.demp1[(jj - 1) * MDEPTH + id] += sgpj * params.popinv[(jj - 1) * MDEPTH + id];
                    }
                }
            }
        }
    }

    if params.nlines[params.ij - 1] <= 0 {
        return;
    }

    // 重叠线
    for ilint in 0..params.nlines[params.ij - 1] as usize {
        let itr = params.itrlin[ilint * MFREQ + (params.ij - 1)] as usize;
        if params.linexp[itr - 1] {
            continue;
        }

        let ii = params.ilow[itr - 1] as usize;
        let jj = params.iup[itr - 1] as usize;
        let mut ij0 = params.ifr0[itr - 1] as usize;
        let iad = params.iadop[params.iatm[ii - 1] as usize];

        if iad > 0 && !lfre {
            continue;
        }

        // 找到频率位置
        for ijt in (0..ij0).rev() {
            if params.freq[ijt] <= fr {
                ij0 = ijt;
                break;
            }
        }

        let ij1 = ij0 - 1;
        let a1 = (fr - params.freq[ij0]) / (params.freq[ij1] - params.freq[ij0]);
        let a2 = 1.0 - a1;

        for id in 0..nd {
            let sg = a1 * params.prflin[id * MFREQ + ij1] + a2 * params.prflin[id * MFREQ + ij0];
            let sgpi = sg * params.abtra[(itr - 1) * MDEPTH + id];

            if sgpi > 0.0 || !laser {
                let sgpj = sg * params.emtra[(itr - 1) * MDEPTH + id];
                state.abso1[id] += sgpi;
                state.emis1[id] += sgpj;

                if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                    state.demt1[id] += sgpj * params.demlt[(itr - 1) * MDEPTH + id];
                    state.dabp1[(ii - 1) * MDEPTH + id] += sgpi * params.popinv[(ii - 1) * MDEPTH + id];
                    state.demp1[(jj - 1) * MDEPTH + id] += sgpj * params.popinv[(jj - 1) * MDEPTH + id];
                }
            }
        }
    }
}

/// 计算线不透明度（采样模式）
fn compute_lines_sampling(
    params: &OpacfdParams,
    state: &mut OpacfdState,
    _fr: f64,
    laser: bool,
    lfre: bool,
) {
    let nd = params.nd;

    if params.nlines[params.ij - 1] <= 0 {
        return;
    }

    for ilint in 0..params.nlines[params.ij - 1] as usize {
        let itr = params.itrlin[ilint * MFREQ + (params.ij - 1)] as usize;
        let ii = params.ilow[itr - 1] as usize;
        let jj = params.iup[itr - 1] as usize;
        let iad = params.iadop[params.iatm[ii - 1] as usize];

        if iad > 0 && !lfre {
            continue;
        }

        let kj = params.ij - params.ifr0[itr - 1] as usize + params.kfr0[itr - 1] as usize;
        let indxpa = (params.indexp[itr - 1]).abs();

        if indxpa != 3 && indxpa != 4 {
            for id in 0..nd {
                let sgpi = params.prflin[id * MFREQ + kj] * params.abtra[(itr - 1) * MDEPTH + id];

                if sgpi > 0.0 || !laser {
                    let sgpj = params.prflin[id * MFREQ + kj] * params.emtra[(itr - 1) * MDEPTH + id];
                    state.abso1[id] += sgpi;
                    state.emis1[id] += sgpj;

                    if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                        state.demt1[id] += sgpj * params.demlt[(itr - 1) * MDEPTH + id];
                        state.dabp1[(ii - 1) * MDEPTH + id] += sgpi * params.popinv[(ii - 1) * MDEPTH + id];
                        state.demp1[(jj - 1) * MDEPTH + id] += sgpj * params.popinv[(jj - 1) * MDEPTH + id];
                    }
                }
            }
        } else {
            for id in 0..nd {
                let kjd = params.jidi[id] as usize;
                let sg = (params.xjid[id] * params.sigfe[kjd * MFREQ + kj]
                    + (1.0 - params.xjid[id]) * params.sigfe[(kjd + 1) * MFREQ + kj])
                    .exp();
                let sgpi = sg * params.abtra[(itr - 1) * MDEPTH + id];

                if sgpi > 0.0 || !laser {
                    let sgpj = sg * params.emtra[(itr - 1) * MDEPTH + id];
                    state.abso1[id] += sgpi;
                    state.emis1[id] += sgpj;

                    if params.iifix[params.iatm[ii - 1] as usize] <= 0 {
                        state.demt1[id] += sgpj * params.demlt[(itr - 1) * MDEPTH + id];
                        state.dabp1[(ii - 1) * MDEPTH + id] += sgpi * params.popinv[(ii - 1) * MDEPTH + id];
                        state.demp1[(jj - 1) * MDEPTH + id] += sgpj * params.popinv[(jj - 1) * MDEPTH + id];
                    }
                }
            }
        }
    }
}

/// 计算显式能级导数
fn compute_explicit_level_derivatives(params: &OpacfdParams, state: &mut OpacfdState) {
    let nd = params.nd;
    let nlvexp = params.nlvexp;

    let mut dabp0 = vec![0.0; MLEVEL];
    let mut demp0 = vec![0.0; MLEVEL];

    for id in 0..nd {
        dabp0.fill(0.0);
        demp0.fill(0.0);

        for i in 0..params.nlevel {
            if params.iifix[params.iatm[i] as usize] == 0 {
                let ii = params.iiexp[i];
                if ii > 0 {
                    let ii_idx = (ii - 1) as usize;
                    dabp0[ii_idx] += state.dabp1[i * MDEPTH + id];
                    demp0[ii_idx] += state.demp1[i * MDEPTH + id];
                } else if ii < 0 {
                    let ii_idx = (-ii - 1) as usize;
                    dabp0[ii_idx] += state.dabp1[i * MDEPTH + id] * params.pp[i * MDEPTH + id];
                    demp0[ii_idx] += state.demp1[i * MDEPTH + id] * params.pp[i * MDEPTH + id];
                } else {
                    let jj = params.iiexp[params.iltref[i * MDEPTH + id] as usize];
                    if jj > 0 {
                        let jj_idx = (jj - 1) as usize;
                        dabp0[jj_idx] += state.dabp1[i * MDEPTH + id] * params.pp[i * MDEPTH + id];
                        demp0[jj_idx] += state.demp1[i * MDEPTH + id] * params.pp[i * MDEPTH + id];
                    }

                    if params.imodl[i].abs() <= 5 {
                        state.dabt1[id] += state.dabp1[i * MDEPTH + id] * params.pt[i * MDEPTH + id];
                        state.demt1[id] += state.demp1[i * MDEPTH + id] * params.pt[i * MDEPTH + id];
                        state.dabn1[id] += state.dabp1[i * MDEPTH + id] * params.pn[i * MDEPTH + id];
                        state.demn1[id] += state.demp1[i * MDEPTH + id] * params.pn[i * MDEPTH + id];
                    }
                }
            }
        }

        for ii in 0..nlvexp {
            state.dabp1[ii * MDEPTH + id] = dabp0[ii];
            state.demp1[ii * MDEPTH + id] = demp0[ii];
        }
    }
}

/// 计算背景不透明度表
fn compute_background_opacity(params: &OpacfdParams, state: &mut OpacfdState, fr: f64) {
    let nd = params.nd;

    if fr >= params.frtabm {
        return;
    }

    let _imodf = 0;

    for id in 0..nd {
        let t = params.temp[id];
        let _t1 = t * (1.0 + DELT);
        let rho = params.dens[id];
        let _rho1 = rho * (1.0 + DELR);
        let plan = state.xkfb[id] / state.xkf1[id];
        let dplan = plan / state.xkf1[id] * params.hkt1[id] * fr / t;

        // 调用 opctab - 需要完整参数结构体
        // let opctab_params = OpctabParams { fr, ij, id: id + 1, t, rho, igram: imodf, iter: params.iter };
        // let opctab_output = opctab(&opctab_params, &opctab_table, &mut opctab_model);
        // let ab = opctab_output.ab;
        // let sct = opctab_output.sct;
        let _ = opctab; // 标记函数已导入

        // 暂时使用占位值
        let ab = 0.0;
        let ab1 = 0.0;
        let _ab2 = 0.0;
        let sct = 0.0;
        let sct1 = 0.0;

        state.abso1[id] += ab;
        state.emis1[id] += ab * plan;
        state.scat1[id] += sct;

        // 温度导数
        let dabtab = (ab1 - ab) / t / DELT;
        state.dabt1[id] += dabtab;
        state.demt1[id] += ab * dplan + dabtab * plan;
        state.dsct1[id] += (sct1 - sct) / t / DELT;
        state.dabt1[id] += state.dsct1[id];

        // 密度导数 (暂时跳过)
        let dabn1a = 0.0;
        let demn1a = 0.0;
        let dscn1a = 0.0;

        if params.inhe <= 0 {
            state.dabt1[id] += dabn1a * params.drhodt[id];
            state.demt1[id] += demn1a * params.drhodt[id];
            state.dsct1[id] += dscn1a * params.drhodt[id];
        } else {
            state.dabn1[id] += dabn1a;
            state.demn1[id] += demn1a;
            state.dscn1[id] += dscn1a;
        }

        if params.ifryb > 5 {
            state.abso1[id] /= params.dens[id];
            state.emis1[id] /= params.dens[id];
            state.scat1[id] /= params.dens[id];
            state.dabt1[id] /= params.dens[id];
            state.demt1[id] /= params.dens[id];
            state.dsct1[id] /= params.dens[id];
        }
    }
}

/// 存储显式频率量
fn store_explicit_frequency(params: &OpacfdParams, state: &mut OpacfdState) {
    let ije = (params.ijex[params.ij - 1] - 1) as usize;
    let nd = params.nd;

    for id in 0..nd {
        state.absoex[ije * MDEPTH + id] = state.abso1[id];
        state.emisex[ije * MDEPTH + id] = state.emis1[id];
        state.scatex[ije * MDEPTH + id] = state.scat1[id];
        state.dabtex[ije * MDEPTH + id] = state.dabt1[id];
        state.demtex[ije * MDEPTH + id] = state.demt1[id];
        state.dabnex[ije * MDEPTH + id] = state.dabn1[id];
        state.demnex[ije * MDEPTH + id] = state.demn1[id];
        state.dabmex[ije * MDEPTH + id] = state.dabm1[id];
        state.demmex[ije * MDEPTH + id] = state.demm1[id];

        for ii in 0..params.nlvexp {
            state.drchex[ii * MFREQ * MDEPTH + ije * MDEPTH + id] = state.dabp1[ii * MDEPTH + id];
            state.dretex[ii * MFREQ * MDEPTH + ije * MDEPTH + id] = state.demp1[ii * MDEPTH + id];
        }
    }
}

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

    #[test]
    fn test_opacfd_initialization() {
        // 基本初始化测试
        let output = OpacfdOutput::default();
        assert_eq!(output.abso1.len(), MDEPTH);
        assert_eq!(output.emis1.len(), MDEPTH);
        assert_eq!(output.scat1.len(), MDEPTH);
    }

    #[test]
    fn test_constants() {
        // 验证常量
        assert!((C14 - 2.99793e14).abs() < 1e8);
        assert!((CFF1 - 1.3727e-25).abs() < 1e-30);
        assert!((DELT - 1e-3).abs() < 1e-10);
        assert!((DELR - 1e-3).abs() < 1e-10);
    }
}