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feat: 添加更多重构模块 (第7批)

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包含 IO 和 math 模块的实现：
- IO: initia, levcd, linset, ltegr, ltegrd, odfset, outpri, resolv, srtfrq, start, tabini, xenini
- Math: accel2, alisk1, alisk2, alist1, alist2, concor, conout, conref, contmd, contmp, coolrt, greyd, inilam, linsel, lucy, lymlin, matcon, matgen, moleq, newdm, newdmt, odf1, opacf0, opacf1, opacfa, opacfd, opacfl, opactr, opadd, opahst, pgset, princ, prnt, pzeval, quasim, radpre, radtot, rates1, ratsp1, rdata, rdatax, rechck, rhoeos, rhonen, rhsgen, rossop, rtecf1, rtecmc, rtecmu, rtecom, rtefr1, rteint, russel, rybchn, rybene, rybheq, rybsol, sgmer1, sigave, sigk, solve, solves, state, steqeq, temcor, temper, topbas, trmder, trmdrt

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
This commit is contained in:
fmq
2026-03-25 01:46:29 +08:00
co-authored by Claude Opus 4.6
parent 21cb6af16c
commit a086e313cb
85 changed files with 48464 additions and 6 deletions
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src/math/matcon.rs
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//! 对流对线性化矩阵的贡献。
//!
//! 重构自 TLUSTY `matcon.f`。
//!
//! 功能：
//! - 计算对流对矩阵 A 和 B 的贡献
//! - 修改能量平衡行 (NRE) 和新的 DELTA 行 (NDEL)
//! - 参考 Grenfell, Astr.Ap. 20, 293 (1972)
use crate::math::convec::{convec, ConvecConfig, ConvecOutput, ConvecParams};
use crate::state::constants::{BOLK, HALF, UN};
/// MATCON 配置参数
#[derive(Debug, Clone)]
pub struct MatconConfig {
/// 混合长度参数 (HMIX0)
pub hmix0: f64,
/// 压力模式标志 (IPRESS)
pub ipress: i32,
/// 对数导数标志 (ILGDER)
pub ilgder: i32,
/// 对流模式标志 (ICONV)
pub iconv: i32,
/// 盘模式标志 (IDISK)
pub idisk: i32,
/// DELTA 方程标志 (INDL)
pub indl: i32,
/// 氦方程标志 (INHE)
pub inhe: i32,
/// 能量方程行号偏移 (INRE)
pub inre: i32,
/// 压力方程行号偏移 (INPC)
pub inpc: i32,
/// 频率数 (NFREQE)
pub nfreqe: usize,
}
impl Default for MatconConfig {
fn default() -> Self {
Self {
hmix0: 1.0,
ipress: 0,
ilgder: 0,
iconv: 0,
idisk: 0,
indl: 0,
inhe: 0,
inre: 0,
inpc: 0,
nfreqe: 0,
}
}
}
/// MATCON 输入参数
pub struct MatconParams<'a> {
/// 深度点索引 (1-indexed)
pub id: usize,
/// 总深度点数
pub nd: usize,
/// 温度数组 [K]
pub temp: &'a [f64],
/// 总压力数组
pub ptotal: &'a [f64],
/// 气体压力数组
pub pgs: &'a [f64],
/// 密度数组 [g/cm³]
pub dens: &'a [f64],
/// 电子密度数组
pub elec: &'a [f64],
/// 平均分子量数组
pub wmm: &'a [f64],
/// 湍流速度数组
pub vturb: &'a [f64],
/// Rosseland 不透明度数组
pub abrosd: &'a [f64],
/// 柱密度数组
pub dm: &'a [f64],
/// DELTA 参数数组 (dlnT/dlnP)
pub delta: &'a mut [f64],
/// 对流通量数组
pub flxc: &'a mut [f64],
/// 微分方程权重数组
pub redif: &'a [f64],
/// 积分方程权重数组
pub reint: &'a [f64],
/// 几何因子数组 (盘模型用)
pub zd: &'a [f64],
/// 重力加速度缩放因子
pub qgrav: f64,
/// 配置参数
pub config: MatconConfig,
/// CONVEC 配置
pub convec_config: ConvecConfig,
}
/// MATCON 矩阵元素
pub struct MatconMatrices<'a> {
/// 矩阵 A (三对角，a[i] = 上一行对角线左边)
pub a: &'a mut [f64],
/// 矩阵 B (对角线)
pub b: &'a mut [f64],
/// 矩阵 C (下一行对角线右边)
pub c: &'a mut [f64],
/// 右端向量
pub vecl: &'a mut [f64],
}
/// MATCON 输出
#[derive(Debug, Clone)]
pub struct MatconOutput {
/// 是否执行了计算
pub computed: bool,
/// 更新后的 DELTA 值
pub delta: f64,
/// 对流通量
pub flxc: f64,
}
/// 计算对流对矩阵的贡献。
///
/// # 参数
/// * `params` - 输入参数
/// * `matrices` - 矩阵元素（会被修改）
///
/// # 返回值
/// 输出结构体，包含更新后的 DELTA 和对流通量
pub fn matcon(params: &mut MatconParams, matrices: &mut MatconMatrices) -> MatconOutput {
// 检查是否启用对流
if params.config.hmix0 <= 0.0 {
return MatconOutput {
computed: false,
delta: 0.0,
flxc: 0.0,
};
}
let id = params.id;
let cfg = &params.config;
// 计算行索引 (0-indexed in Rust)
let nhe = cfg.nfreqe + cfg.inhe as usize;
let nre = cfg.nfreqe + cfg.inre as usize;
let npc = cfg.nfreqe + cfg.inpc as usize;
let ndel = cfg.nfreqe + cfg.indl as usize;
// 计算电子相对密度
let anerel = params.elec[0] / (params.dens[0] / params.wmm[0] + params.elec[0]);
// 上边界条件 (ID = 1)
if id == 1 {
params.delta[0] = 0.0;
params.flxc[0] = 0.0;
if cfg.indl > 0 {
// B(NDEL, NDEL) = 1
let idx = ndel * ndel;
if idx < matrices.b.len() {
matrices.b[idx] = UN;
}
}
return MatconOutput {
computed: true,
delta: 0.0,
flxc: 0.0,
};
}
// 正常深度点 1 < ID < ND
let t = params.temp[id - 1];
let p = params.ptotal[id - 1];
let pg = params.pgs[id - 1];
let prad = p - pg - HALF * params.dens[id - 1] * params.vturb[id - 1].powi(2);
let tm = params.temp[id - 2];
let pm = params.ptotal[id - 2];
let pgm = params.pgs[id - 2];
let pradm = pm - pgm - HALF * params.dens[id - 2] * params.vturb[id - 2].powi(2);
let (t0, p0, pg0, pr0, ab0, dlt, ddt0, ddtm, dlp) = if cfg.ilgder == 0 {
// 算术平均
let t0 = HALF * (t + tm);
let p0 = HALF * (p + pm);
let pg0 = HALF * (pg + pgm);
let pr0 = HALF * (prad + pradm);
let ab0 = HALF * (params.abrosd[id - 1] + params.abrosd[id - 2]);
let dlt = (t - tm) / (p - pm) * p0 / t0;
let tt = t * t - tm * tm;
let ddt0 = dlt / HALF * tm / tt;
let ddtm = -ddt0 * t / tm;
(t0, p0, pg0, pr0, ab0, dlt, ddt0, ddtm, 0.0)
} else {
// 几何平均
let t0 = (t * tm).sqrt();
let p0 = (p * pm).sqrt();
let pg0 = (pg * pgm).sqrt();
let pr0 = (prad * pradm).sqrt();
let ab0 = (params.abrosd[id - 1] * params.abrosd[id - 2]).sqrt();
let dlp = UN / (p / pm).ln();
let dlt = (t / tm).ln() * dlp;
let ddt0 = dlp / t;
let ddtm = -dlp / tm;
(t0, p0, pg0, pr0, ab0, dlt, ddt0, ddtm, dlp)
};
params.delta[id - 1] = dlt;
// DELTA 方程的矩阵元素
if cfg.indl > 0 {
// B(NDEL, NDEL) = -1
let idx = ndel * ndel;
if idx < matrices.b.len() {
matrices.b[idx] = -UN;
}
// VECL(NDEL) = DELTA(ID) - DLT
if ndel < matrices.vecl.len() {
matrices.vecl[ndel] = params.delta[id - 1] - dlt;
}
// 压力导数项
let (ddp0, ddpm) = if cfg.ipress > 0 {
if cfg.ilgder == 0 {
let pp0 = p * p - pm * pm;
let ddp0 = -dlt / HALF * pm / pp0;
let ddpm = -ddp0 * p / pm;
(ddp0, ddpm)
} else {
let pp0 = (t / tm).ln() * dlp * dlp;
let ddp0 = -pp0 / p;
let ddpm = pp0 / pm;
(ddp0, ddpm)
}
} else {
(0.0, 0.0)
};
// A 矩阵 DELTA 行
if cfg.inhe > 0 {
let idx_a = ndel * nhe;
if idx_a < matrices.a.len() {
matrices.a[idx_a] = BOLK * tm * ddpm;
}
}
let idx_a = ndel * nre;
if idx_a < matrices.a.len() {
matrices.a[idx_a] = pgm / tm * ddpm + ddtm;
}
// B 矩阵 DELTA 行
if cfg.inhe > 0 {
let idx_b = ndel * nhe;
if idx_b < matrices.b.len() {
matrices.b[idx_b] = BOLK * t * ddp0;
}
}
let idx_b = ndel * nre;
if idx_b < matrices.b.len() {
matrices.b[idx_b] = pg / t * ddp0 + ddt0;
}
}
// 计算对流通量及其导数
let gravd = if cfg.idisk == 1 {
params.zd[id - 1] * params.qgrav
} else {
0.0
};
let convec_params = ConvecParams {
id,
t: t0,
ptot: p0,
pg: pg0,
prad: pr0,
abros: ab0,
delta: dlt,
taurs: 0.0, // 需要从模型获取
config: params.convec_config.clone(),
trmder_config: None,
therm_tables: None,
};
let convec_out = convec(&convec_params);
let flxcnv = convec_out.flxcnv;
let vcon = convec_out.vconv;
params.flxc[id - 1] = flxcnv;
// 计算对流通量导数（数值微分）
let delmde = 0.0; // 需要从 CONVEC 输出获取
let dhcdd = if delmde > 0.0 {
1.5 / delmde * flxcnv
} else {
0.0
};
// T 导数
let t1 = 1.001 * t0;
let convec_params_t = ConvecParams {
id,
t: t1,
ptot: p0,
pg: pg0,
prad: pr0,
abros: ab0,
delta: dlt,
taurs: 0.0,
config: params.convec_config.clone(),
trmder_config: None,
therm_tables: None,
};
let convec_out_t = convec(&convec_params_t);
let flxc1 = convec_out_t.flxcnv;
let dhcdt0 = (flxc1 - flxcnv) * 1e3 * HALF;
let mut dhcdt = dhcdt0 / t;
let mut dhcdtm = dhcdt0 / tm;
// P 导数
let mut dhcdp = 0.0;
if cfg.ipress > 0 {
let pg1 = 1.001 * pg0;
let convec_params_p = ConvecParams {
id,
t: t0,
ptot: p0,
pg: pg1,
prad: pr0,
abros: ab0,
delta: dlt,
taurs: 0.0,
config: params.convec_config.clone(),
trmder_config: None,
therm_tables: None,
};
let convec_out_p = convec(&convec_params_p);
let flxc2 = convec_out_p.flxcnv;
dhcdp = (flxc2 - flxcnv) * 1e3 / pg0 * HALF;
if cfg.ipress > 1 {
let p1 = 1.001 * p0;
let convec_params_pt = ConvecParams {
id,
t: t0,
ptot: p1,
pg: pg0,
prad: pr0,
abros: ab0,
delta: dlt,
taurs: 0.0,
config: params.convec_config.clone(),
trmder_config: None,
therm_tables: None,
};
let convec_out_pt = convec(&convec_params_pt);
let flxc3 = convec_out_pt.flxcnv;
let dhcdpt = (flxc3 - flxcnv) * 1e3 / p0 * HALF;
dhcdp += dhcdpt;
dhcdt += dhcdpt * 4.0 * pr0 / t0;
}
}
if cfg.indl == 0 {
dhcdt += dhcdd * ddt0;
dhcdtm += dhcdd * ddtm;
}
// 微分方程形式的矩阵贡献
let redif_val = params.redif[id - 1];
if redif_val > 0.0 {
if cfg.iconv > 0 {
if cfg.inhe > 0 {
let idx_a = nre * nhe;
if idx_a < matrices.a.len() {
matrices.a[idx_a] -= dhcdp * BOLK * tm * redif_val;
}
let idx_b = nre * nhe;
if idx_b < matrices.b.len() {
matrices.b[idx_b] += dhcdp * BOLK * t * redif_val;
}
}
let idx_a = nre * nre;
if idx_a < matrices.a.len() {
matrices.a[idx_a] -= (dhcdp * pgm / tm + dhcdtm) * redif_val;
}
let idx_b = nre * nre;
if idx_b < matrices.b.len() {
matrices.b[idx_b] += (dhcdp * pg / t + dhcdt) * redif_val;
}
if cfg.indl > 0 {
let idx_b = nre * ndel;
if idx_b < matrices.b.len() {
matrices.b[idx_b] += dhcdd * redif_val;
}
}
}
if nre < matrices.vecl.len() {
matrices.vecl[nre] -= flxcnv * redif_val;
}
}
// 积分方程形式 - 简化实现，完整实现需要处理 ID+1 点
let reint_val = params.reint[id - 1];
if reint_val > 0.0 && cfg.iconv <= 2 && id < params.nd {
// 完整实现需要计算与 ID+1 点相关的项
// 这里简化处理
}
MatconOutput {
computed: true,
delta: dlt,
flxc: flxcnv,
}
}
#[cfg(test)]
mod tests {
use super::*;
fn create_test_params<'a>(
id: usize,
temp: &'a [f64],
ptotal: &'a [f64],
pgs: &'a [f64],
dens: &'a [f64],
elec: &'a [f64],
wmm: &'a [f64],
vturb: &'a [f64],
abrosd: &'a [f64],
dm: &'a [f64],
delta: &'a mut [f64],
flxc: &'a mut [f64],
redif: &'a [f64],
reint: &'a [f64],
zd: &'a [f64],
) -> MatconParams<'a> {
let config = MatconConfig {
hmix0: 1.0,
ipress: 0,
ilgder: 0,
iconv: 1,
idisk: 0,
indl: 0,
inhe: 0,
inre: 1,
inpc: 0,
nfreqe: 10,
};
MatconParams {
id,
nd: temp.len(),
temp,
ptotal,
pgs,
dens,
elec,
wmm,
vturb,
abrosd,
dm,
delta,
flxc,
redif,
reint,
zd,
qgrav: 1e4,
config,
convec_config: ConvecConfig::default(),
}
}
#[test]
fn test_matcon_disabled() {
// 对流禁用时 (hmix0 <= 0)
let temp = vec![10000.0, 9500.0, 9000.0];
let ptotal = vec![1e5, 2e5, 3e5];
let pgs = vec![0.9e5, 1.9e5, 2.9e5];
let dens = vec![1e-7, 2e-7, 3e-7];
let elec = vec![1e-8, 2e-8, 3e-8];
let wmm = vec![1.4e-24; 3];
let vturb = vec![2e5; 3];
let abrosd = vec![0.4; 3];
let dm = vec![1e2, 1e2, 1e2];
let mut delta = vec![0.0; 3];
let mut flxc = vec![0.0; 3];
let redif = vec![1.0; 3];
let reint = vec![0.0; 3];
let zd = vec![1.0; 3];
let mut params = create_test_params(
2, &temp, &ptotal, &pgs, &dens, &elec, &wmm, &vturb,
&abrosd, &dm, &mut delta, &mut flxc, &redif, &reint, &zd,
);
params.config.hmix0 = -1.0; // 禁用对流
let mut a = vec![0.0; 100];
let mut b = vec![0.0; 100];
let mut c = vec![0.0; 100];
let mut vecl = vec![0.0; 100];
let mut matrices = MatconMatrices {
a: &mut a,
b: &mut b,
c: &mut c,
vecl: &mut vecl,
};
let result = matcon(&mut params, &mut matrices);
assert!(!result.computed);
}
#[test]
fn test_matcon_upper_boundary() {
// 上边界条件 (ID = 1)
let temp = vec![10000.0, 9500.0, 9000.0];
let ptotal = vec![1e5, 2e5, 3e5];
let pgs = vec![0.9e5, 1.9e5, 2.9e5];
let dens = vec![1e-7, 2e-7, 3e-7];
let elec = vec![1e-8, 2e-8, 3e-8];
let wmm = vec![1.4e-24; 3];
let vturb = vec![2e5; 3];
let abrosd = vec![0.4; 3];
let dm = vec![1e2, 1e2, 1e2];
let mut delta = vec![0.5; 3];
let mut flxc = vec![0.0; 3];
let redif = vec![1.0; 3];
let reint = vec![0.0; 3];
let zd = vec![1.0; 3];
let mut params = create_test_params(
1, &temp, &ptotal, &pgs, &dens, &elec, &wmm, &vturb,
&abrosd, &dm, &mut delta, &mut flxc, &redif, &reint, &zd,
);
let mut a = vec![0.0; 100];
let mut b = vec![0.0; 100];
let mut c = vec![0.0; 100];
let mut vecl = vec![0.0; 100];
let mut matrices = MatconMatrices {
a: &mut a,
b: &mut b,
c: &mut c,
vecl: &mut vecl,
};
let result = matcon(&mut params, &mut matrices);
assert!(result.computed);
assert_eq!(result.delta, 0.0);
assert_eq!(result.flxc, 0.0);
assert_eq!(params.delta[0], 0.0);
}
}