SpectraRust/src/state/config.rs

//! 运行时配置参数。
//!
//! 重构自 TLUSTY `BASICS.FOR` 中的控制 COMMON 块。

use super::constants::*;

// ============================================================================
// BASNUM - 基本数值计数器
// ============================================================================

/// 基本数值计数器。
/// 对应 COMMON /BASNUM/
#[derive(Debug, Clone)]
pub struct BasNum {
    /// 显式原子数
    pub natom: i32,
    /// 显式离子数
    pub nion: i32,
    /// 显式能级数
    pub nlevel: i32,
    /// 跃迁数
    pub ntrans: i32,
    /// 深度点数
    pub nd: i32,
    /// 频率点数
    pub nfreq: i32,
    /// 连续谱频率数
    pub nfreqc: i32,
    /// 线性化频率数
    pub nfreqe: i32,

    // 各种选项标志
    pub ioptab: i32,
    pub idisk: i32,
    pub izscal: i32,
    pub idmfix: i32,
    pub iheso6: i32,
    pub ifmol: i32,
    pub ifentr: i32,
    pub nfreql: i32,
    pub nlev0: i32,
    pub icolhn: i32,
    pub ioscor: i32,
    pub ilgder: i32,
    pub ifryb: i32,
    pub ifrset: i32,
    pub nfread: i32,
    pub nelsc: i32,
    pub ntranc: i32,
    pub iover: i32,
    pub jali: i32,
    pub ibc: i32,
    pub iubc: i32,
    pub intens: i32,
    pub irder: i32,
    pub ilmcor: i32,
    pub ifdiel: i32,
    pub ifalih: i32,
    pub iftene: i32,
    pub itndre: i32,
    pub ilpsct: i32,
    pub ilasct: i32,
    pub irte: i32,
    pub idlte: i32,
    pub ibfint: i32,
    pub intrpl: i32,
    pub ichang: i32,
    pub natoms: i32,
    pub ipslte: i32,
    pub ispodf: i32,
    pub itlucy: i32,
    pub nretc: i32,
    pub ifrayl: i32,
    pub ifprad: i32,
}

impl Default for BasNum {
    fn default() -> Self {
        Self {
            natom: 0, nion: 0, nlevel: 0, ntrans: 0,
            nd: 0, nfreq: 0, nfreqc: 0, nfreqe: 0,
            ioptab: 0, idisk: 0, izscal: 0, idmfix: 0,
            iheso6: 0, ifmol: 0, ifentr: 0, nfreql: 0,
            nlev0: 0, icolhn: 0, ioscor: 0, ilgder: 0,
            ifryb: 0, ifrset: 0, nfread: 0, nelsc: 0,
            ntranc: 0, iover: 0, jali: 0, ibc: 0,
            iubc: 0, intens: 0, irder: 0, ilmcor: 0,
            ifdiel: 0, ifalih: 0, iftene: 0, itndre: 0,
            ilpsct: 0, ilasct: 0, irte: 0, idlte: 0,
            ibfint: 0, intrpl: 0, ichang: 0, natoms: 0,
            ipslte: 0, ispodf: 0, itlucy: 0, nretc: 0,
            ifrayl: 0, ifprad: 0,
        }
    }
}

// ============================================================================
// INPPAR - 输入参数
// ============================================================================

/// 输入参数。
/// 对应 COMMON /INPPAR/
#[derive(Debug, Clone)]
pub struct InpPar {
    /// 有效温度 (K)
    pub teff: f64,
    /// 表面重力 (cm/s²)
    pub grav: f64,

    /// 总 He 丰度 (质量分数)
    pub ytot: Vec<f64>,
    /// 平均分子量
    pub wmm: Vec<f64>,
    /// He 质量分数
    pub wmy: Vec<f64>,
    /// 分子温度极限
    pub tmolim: f64,

    // 恒星风参数
    pub xmstar: f64,
    pub xmdot: f64,
    pub rstar: f64,
    pub alpha0: f64,
    pub reynum: f64,

    // 引力相关
    pub qgrav: f64,
    pub edisc: f64,
    pub dzeta: f64,
    pub reldst: f64,

    // 粘性参数
    pub visc: f64,
    pub zeta0: f64,
    pub zeta1: f64,
    pub dmvisc: f64,
    pub fractv: f64,

    // 自转参数
    pub omeg32: f64,
    pub wbarm: f64,
    pub wbar: f64,
    pub alphav: f64,
    pub pgas0: f64,

    // 控制参数
    pub bergfc: f64,  // β 引力因子 (wn.f 使用)
    pub cutlym: f64,
    pub cutbal: f64,

    // 选项标志
    pub isplin: i32,
    pub irsplt: i32,
    pub ivisc: i32,
    pub ibche: i32,
    pub lte: bool,
    pub ltgrey: bool,
    pub lchc: bool,
    pub lresc: bool,
}

impl InpPar {
    pub fn new() -> Self {
        Self {
            teff: 10000.0,
            grav: 4.44,  // log g = 4.44 (太阳)
            ytot: vec![0.0; MDEPTH],
            wmm: vec![0.0; MDEPTH],
            wmy: vec![0.0; MDEPTH],
            tmolim: 0.0,
            xmstar: 0.0, xmdot: 0.0, rstar: 0.0, alpha0: 0.0, reynum: 0.0,
            qgrav: 0.0, edisc: 0.0, dzeta: 0.0, reldst: 0.0,
            visc: 0.0, zeta0: 0.0, zeta1: 0.0, dmvisc: 0.0, fractv: 0.0,
            omeg32: 0.0, wbarm: 0.0, wbar: 0.0, alphav: 0.0, pgas0: 0.0,
            bergfc: 1.0,  // 默认值
            cutlym: 0.0, cutbal: 0.0,
            isplin: 0, irsplt: 0, ivisc: 0, ibche: 0,
            lte: false, ltgrey: false, lchc: false, lresc: false,
        }
    }
}

impl Default for InpPar {
    fn default() -> Self {
        Self::new()
    }
}

// ============================================================================
// MATKEY - 材料键
// ============================================================================

/// 材料键。
/// 对应 COMMON /MATKEY/
#[derive(Debug, Clone, Default)]
pub struct MatKey {
    pub nn: i32,
    pub nn0: i32,
    pub inhe: i32,
    pub inre: i32,
    pub inpc: i32,
    pub inse: i32,
    pub inzd: i32,
    pub inmp: i32,
    pub ndre: i32,
    pub insel: i32,
}

// ============================================================================
// RUNKEY - 运行控制
// ============================================================================

/// 运行控制键。
/// 对应 COMMON /RUNKEY/
#[derive(Debug, Clone, Default)]
pub struct RunKey {
    pub chmax: f64,
    pub iter: i32,
    pub niter: i32,
    pub nitzer: i32,
    pub init: i32,
    pub lac2: i32,
    pub lfin: i32,
}

// ============================================================================
// CONKEY - 收敛控制
// ============================================================================

/// 收敛控制键。
/// 对应 COMMON /CONKEY/
#[derive(Debug, Clone, Default)]
pub struct ConKey {
    pub hmix0: f64,
    pub crflim: f64,
    pub nconit: i32,
    pub iconv: i32,
    pub indl: i32,
    pub ipress: i32,
    pub itemp: i32,
    pub icbeg: i32,
    pub itmcor: i32,
    pub iconre: i32,
    pub ideepc: i32,
    pub ndcgap: i32,
    pub idconz: i32,
}

// ============================================================================
// OPCPAR - 额外不透明度控制
// ============================================================================

/// 额外不透明度控制。
/// 对应 COMMON /OPCPAR/
#[derive(Debug, Clone, Default)]
pub struct OpcPar {
    pub iophmi: i32,   // H⁻
    pub ioph2p: i32,   // H₂⁺
    pub iophem: i32,   // He⁻
    pub iopch: i32,    // CH
    pub iopoh: i32,    // OH
    pub ioph2m: i32,   // H₂⁻
    pub ioh2h2: i32,   // H₂-H₂ CIA
    pub ioh2he: i32,   // H₂-He CIA
    pub ioh2h: i32,    // H₂-H CIA
    pub iohhe: i32,    // H-He CIA
    pub iophli: i32,   // H⁻ 自由-自由
    pub irsct: i32,    // 汤姆逊散射
    pub irsche: i32,   // He 散射
    pub irsch2: i32,   // H₂ 散射
    pub keepop: i32,
    pub iopold: i32,
}

// ============================================================================
// PRINTS - 打印控制
// ============================================================================

/// 打印控制。
/// 对应 COMMON /PRINTS/
#[derive(Debug, Clone, Default)]
pub struct Prints {
    pub iprint: i32,
    pub ipring: i32,
    pub iprind: i32,
    pub iprinp: i32,
    pub icoolp: i32,
    pub ichckp: i32,
    pub ipopac: i32,
    pub iprini: i32,
}

// ============================================================================
// ANGLES - 角度设置
// ============================================================================

/// 角度设置。
/// 对应 COMMON /ANGLES/
#[derive(Debug, Clone)]
pub struct Angles {
    /// 角度余弦值
    pub amu: Vec<f64>,
    /// 角度权重
    pub wtmu: Vec<f64>,
    /// 角度函数
    pub fmu: Vec<f64>,
    /// 角度点数
    pub nmu: i32,
}

impl Default for Angles {
    fn default() -> Self {
        Self {
            amu: vec![0.0; MMU],
            wtmu: vec![0.0; MMU],
            fmu: vec![0.0; MMU],
            nmu: 0,
        }
    }
}

// ============================================================================
// COMPTN - Compton 散射角度参数
// ============================================================================

/// Compton 散射角度参数。
/// 对应 COMMON /COMPTN/ 和 /ANGNUM/
#[derive(Debug, Clone)]
pub struct Comptn {
    /// 角度余弦值
    pub amuc: Vec<f64>,
    /// 角度权重
    pub wtmuc: Vec<f64>,
    /// amuc * wtmuc
    pub amuc1: Vec<f64>,
    /// amuc² * wtmuc
    pub amuc2: Vec<f64>,
    /// amuc³ * wtmuc
    pub amuc3: Vec<f64>,
    /// 角度相关量
    pub amuj: Vec<f64>,
    pub amuk: Vec<f64>,
    pub amuh: Vec<f64>,
    pub amun: Vec<f64>,
    /// Compton 散射 α 系数
    pub calph: Vec<Vec<f64>>,
    /// Compton 散射 β 系数
    pub cbeta: Vec<Vec<f64>>,
    /// Compton 散射 γ 系数
    pub cgamm: Vec<Vec<f64>>,
    /// 辐射零点
    pub radzer: f64,
    /// Compton 频率
    pub frlcom: f64,
    /// Compton 截面
    pub sigec: Vec<f64>,
    /// 原始频率索引
    pub ijorig: Vec<i32>,
    /// Compton 角度点数
    pub nmuc: i32,
}

impl Default for Comptn {
    fn default() -> Self {
        Self {
            amuc: vec![0.0; MMUC],
            wtmuc: vec![0.0; MMUC],
            amuc1: vec![0.0; MMUC],
            amuc2: vec![0.0; MMUC],
            amuc3: vec![0.0; MMUC],
            amuj: vec![0.0; MMUC],
            amuk: vec![0.0; MMUC],
            amuh: vec![0.0; MMUC],
            amun: vec![0.0; MMUC],
            calph: vec![vec![0.0; MMUC]; MMUC],
            cbeta: vec![vec![0.0; MMUC]; MMUC],
            cgamm: vec![vec![0.0; MMUC]; MMUC],
            radzer: 0.0,
            frlcom: 0.0,
            sigec: vec![0.0; MFREQ],
            ijorig: vec![0; MFREQ],
            nmuc: 0,
        }
    }
}

// ============================================================================
// 综合配置结构
// ============================================================================

/// TLUSTY 综合配置。
/// 包含所有控制参数。
#[derive(Debug, Clone, Default)]
pub struct TlustyConfig {
    pub basnum: BasNum,
    pub inppar: InpPar,
    pub matkey: MatKey,
    pub runkey: RunKey,
    pub conkey: ConKey,
    pub opcpar: OpcPar,
    pub prints: Prints,
    pub angles: Angles,
    pub comptn: Comptn,
}

impl TlustyConfig {
    pub fn new() -> Self {
        Self::default()
    }
}

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

    #[test]
    fn test_config_creation() {
        let config = TlustyConfig::new();
        assert_eq!(config.basnum.natom, 0);
        assert_eq!(config.inppar.teff, 10000.0);
    }

    #[test]
    fn test_inppar_arrays() {
        let inppar = InpPar::new();
        assert_eq!(inppar.ytot.len(), MDEPTH);
    }
}