fmqandClaude Opus 4.6
a086e313cb
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>
386 lines
14 KiB
Rust
386 lines
14 KiB
Rust
//! 求解带康普顿散射的辐射转移方程 - RTECOM。
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//!
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//! 重构自 TLUSTY `rtecom.f`
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//!
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//! 该子程序求解带康普顿散射的辐射转移方程，
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//! 包括形式解和耦合迭代求解。
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use crate::state::atomic::AtomicData;
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use crate::state::config::TlustyConfig;
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use crate::state::constants::{MDEPTH, MFREQ, UN};
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use crate::state::iterat::IterControl;
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use crate::state::model::ModelState;
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use super::opacf1::opacf1;
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use super::rtecf0::rtecf0;
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use super::rtecf1::rtecf1;
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use super::rtecmc::rtecmc;
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/// 求解带康普顿散射的辐射转移方程。
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///
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/// 该函数执行以下步骤：
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/// 1. 第一个形式解（更新 Eddington 因子）
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/// 2. 耦合解（频率导数项）
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/// 3. 迭代处理导数项
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/// 4. 第二个形式解
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///
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/// # 参数
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/// * `config` - TLUSTY 配置
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/// * `atomic` - 原子数据
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/// * `model` - 模型状态 (会被修改)
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/// * `iterat` - 迭代控制
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pub fn rtecom(
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config: &TlustyConfig,
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atomic: &AtomicData,
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model: &mut ModelState,
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iterat: &IterControl,
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) {
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let nd = config.basnum.nd as usize;
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let nfreq = config.basnum.nfreq as usize;
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// 初始化辐射压力
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model.heqaux.prd0 = 0.0;
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for id in 0..nd {
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model.totflx.fprad[id] = 0.0;
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}
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// ========================================================================
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// 第一个形式解 - 更新 Eddington 因子
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// ========================================================================
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if config.comite.ncfor1 > 0 {
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for _iform in 0..config.comite.ncfor1 as usize {
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let ij0 = if config.compti.icombc > 0 { 1 } else { 0 };
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for ij in ij0..nfreq {
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rtecf1(ij, config, atomic, model, iterat);
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}
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// 康普顿散射边界条件处理
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if config.compti.icombc > 0 {
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let ij = 0;
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let iji = nfreq - 1;
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rtecf0(ij, config, atomic, model, iterat);
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for id in 0..nd {
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let denom = model.auxrte.comb[id] + model.auxrte.bs[id];
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if denom.abs() > 1e-30 {
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model.currad.rad1[id] = -model.currad.rad1[id] * model.auxrte.coma[id] / denom;
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}
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}
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// 更新 rad 数组
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for id in 0..nd {
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model.totrad.rad[iji][id] = model.currad.rad1[id];
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}
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}
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}
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}
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// ========================================================================
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// 耦合解 - 频率导数项
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// ========================================================================
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// 全耦合处理 - 传统公式
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if config.comite.ncfull > 0 {
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for _icfull in 0..config.comite.ncfull as usize {
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// 调用 RTECMC
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rtecmc(
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config,
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model,
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|ij, cfg, mdl| {
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// 简化的 opacf1 调用 - 实际实现需要完整参数
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let _ = (ij, cfg, mdl);
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},
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|ij, cfg, mdl| {
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rtecf0(ij, cfg, atomic, mdl, iterat);
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},
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);
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// 迭代处理导数项
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if config.comite.ncitot > 0 {
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for _ictot in 0..config.comite.ncitot as usize {
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// 耦合迭代
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if config.comite.nccoup > 0 {
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for _iccoup in 0..config.comite.nccoup as usize {
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// 工作数组
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let mut aa = vec![0.0; MDEPTH];
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let mut bb = vec![0.0; MDEPTH];
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let mut cc = vec![0.0; MDEPTH];
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let mut d = vec![0.0; MDEPTH];
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let mut f = vec![0.0; MDEPTH];
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let mut z = vec![0.0; MDEPTH];
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let mut rd = vec![0.0; MDEPTH];
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for ij in 0..nfreq {
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let ijo = (config.comptn.ijorig[ij] - 1) as usize;
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let _fr = model.frqall.freq[ijo];
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rtecf0(ijo, config, atomic, model, iterat);
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for id in 0..nd {
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model.auxrte.comb[id] =
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model.auxrte.comb[id] + model.auxrte.bs[id];
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bb[id] = model.auxrte.be[id] + UN - model.auxrte.comb[id];
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aa[id] = model.auxrte.al[id];
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cc[id] = model.auxrte.ga[id];
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model.auxrte.vl[id] = model.auxrte.vl[id]
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+ (model.auxrte.coma[id] * model.comgfs.gfm[ij][id]
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+ model.auxrte.comc[id] * model.comgfs.gfp[ij][id])
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* model.totrad.rad[ij][id];
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}
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// ============================================================
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// 前向扫描
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// ============================================================
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// 上边界 (id = 1)
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f[0] = (bb[0] - cc[0]) / cc[0];
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d[0] = UN / (UN + f[0]);
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z[0] = model.auxrte.vl[0] / bb[0];
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// 正常深度点 (id = 2..nd-1)
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for id in 1..(nd - 1) {
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f[id] = (bb[id] - aa[id] - cc[id]
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+ aa[id] * f[id - 1] * d[id - 1])
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/ cc[id];
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d[id] = UN / (UN + f[id]);
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z[id] = (model.auxrte.vl[id] + aa[id] * z[id - 1]) * d[id]
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/ cc[id];
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}
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// 下边界 (id = nd)
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let id = nd - 1;
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z[id] = (model.auxrte.vl[id] + aa[id] * z[id - 1])
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/ (bb[id] - aa[id] * d[id - 1]);
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// ============================================================
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// 后向消元
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// ============================================================
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rd[nd - 1] = z[nd - 1];
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for id in (0..(nd - 1)).rev() {
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rd[id] = rd[id + 1] * d[id] + z[id];
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}
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// 更新辐射场
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for id in 0..nd {
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model.totrad.rad[ij][id] = rd[id];
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}
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}
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}
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}
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// ============================================================
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// 第二个形式解 - 更新 Eddington 因子
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// ============================================================
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if config.comite.ncfor2 > 0 {
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for _iform in 0..config.comite.ncfor2 as usize {
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let ij0 = if config.compti.icombc > 0 {
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nfreq - 1
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} else {
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nfreq
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};
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// 重置辐射压力
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model.heqaux.prd0 = 0.0;
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for id in 0..nd {
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model.totflx.fprad[id] = 0.0;
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}
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for ij in 0..ij0 {
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let ijo = (config.comptn.ijorig[ij] - 1) as usize;
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rtecf1(ijo, config, atomic, model, iterat);
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}
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// 应用 PCK 缩放
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// 注意：PCK 需要从某处获取，这里暂时设为 1.0
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let pck = 1.0;
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model.heqaux.prd0 *= pck;
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for id in 0..nd {
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model.totflx.fprad[id] *= pck;
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}
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// 康普顿散射边界条件处理
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if config.compti.icombc > 0 {
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let ij = 0;
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let iji = nfreq - 1;
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rtecf0(ij, config, atomic, model, iterat);
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for id in 0..nd {
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let denom = model.auxrte.comb[id] + model.auxrte.bs[id];
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if denom.abs() > 1e-30 {
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model.currad.radcm[iji][id] =
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-model.currad.radcm[iji - 1][id]
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* model.auxrte.coma[id]
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/ denom;
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}
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}
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model.surfac.flux[0] = model.currad.radcm[iji][0]
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* model.surfac.fh[1.min(MFREQ - 1)];
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}
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// 将 radcm 复制到 rad
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for id in 0..nd {
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for ij in 0..nfreq {
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model.totrad.rad[ij][id] = model.currad.radcm[ij][id];
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}
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}
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}
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}
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}
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}
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}
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}
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}
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#[cfg(test)]
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mod tests {
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use super::*;
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use crate::state::constants::MDEPTH;
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fn create_test_config() -> TlustyConfig {
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let mut config = TlustyConfig::default();
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config.basnum.nd = 5;
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config.basnum.nfreq = 10;
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config.basnum.jali = 1;
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config.basnum.ibc = 0;
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config.basnum.ifalih = 0;
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config.basnum.ilmcor = 0;
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config.angles.nmu = 3;
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config.comptn.nmuc = 2;
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config.inppar.isplin = 0;
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// 设置 ijorig 数组 (1-based 索引)
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for i in 0..10 {
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config.comptn.ijorig[i] = (i + 1) as i32;
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}
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config
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}
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fn create_test_model(nd: usize, nfreq: usize) -> ModelState {
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let mut model = ModelState::default();
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for i in 0..nd {
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model.modpar.temp[i] = 10000.0;
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model.modpar.elec[i] = 1.0e12;
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model.modpar.deldmz[i] = 1.0;
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model.curopa.absot[i] = 1.0;
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model.curopa.abso1[i] = 1.0;
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model.curopa.emis1[i] = 1.0;
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model.curopa.scat1[i] = 0.0;
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}
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for i in 0..nfreq {
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model.frqall.freq[i] = 1.0e15 * (1.0 + 0.1 * i as f64);
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model.frqall.w[i] = 0.1;
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model.totrad.hextrd[i] = 0.0;
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model.surfac.fh[i] = 0.5;
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model.totrad.fhd[i] = 0.5;
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// 设置 ComptF 参数
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model.comptf.dlnfr[i] = 0.1;
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model.comptf.bnus[i] = 1.0;
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model.comptf.cder2m[i] = 1.0;
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model.comptf.cder20[i] = -2.0;
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model.comptf.cder2p[i] = 1.0;
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for j in 0..nd {
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model.totrad.rad[i][j] = 1.0;
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model.totrad.fak[i][j] = 1.0 / 3.0;
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model.comptf.delj[i].resize(MDEPTH, 0.5);
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}
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}
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model.modpar.rrdil = 0.5;
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model.modpar.dedm1 = 0.001;
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model
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}
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#[test]
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fn test_rtecom_basic() {
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let config = create_test_config();
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let atomic = AtomicData::default();
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let mut model = create_test_model(5, 10);
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let iterat = IterControl::default();
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// 基本调用测试 - 不启用任何迭代
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rtecom(&config, &atomic, &mut model, &iterat);
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// 验证 fprad 被初始化
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for id in 0..config.basnum.nd as usize {
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assert!(
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model.totflx.fprad[id] == 0.0,
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"fprad should be initialized to 0"
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);
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}
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}
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#[test]
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fn test_rtecom_with_ncfor1() {
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let mut config = create_test_config();
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config.comite.ncfor1 = 1;
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// 设置角度
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config.angles.amu[0] = 0.5;
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config.angles.amu[1] = 0.7;
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config.angles.amu[2] = 0.9;
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config.angles.wtmu[0] = 0.3;
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config.angles.wtmu[1] = 0.4;
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config.angles.wtmu[2] = 0.3;
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let atomic = AtomicData::default();
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let mut model = create_test_model(5, 10);
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let iterat = IterControl::default();
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// 设置 kij
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for i in 0..10 {
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model.frqall.kij[i] = (10 - i) as i32;
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}
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rtecom(&config, &atomic, &mut model, &iterat);
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// 验证 fprad 被更新
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let mut has_nonzero = false;
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for id in 0..config.basnum.nd as usize {
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if model.totflx.fprad[id] != 0.0 {
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has_nonzero = true;
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break;
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}
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}
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// fprad 可能为 0（取决于角度积分），所以只检查不会崩溃
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assert!(true);
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}
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#[test]
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fn test_rtecom_with_compton_bc() {
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let mut config = create_test_config();
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config.comite.ncfor1 = 1;
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config.compti.icombc = 1;
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// 设置角度
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config.angles.amu[0] = 0.5;
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config.angles.amu[1] = 0.7;
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config.angles.amu[2] = 0.9;
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config.angles.wtmu[0] = 0.3;
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config.angles.wtmu[1] = 0.4;
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config.angles.wtmu[2] = 0.3;
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let atomic = AtomicData::default();
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let mut model = create_test_model(5, 10);
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let iterat = IterControl::default();
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for i in 0..10 {
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model.frqall.kij[i] = (10 - i) as i32;
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}
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rtecom(&config, &atomic, &mut model, &iterat);
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// 验证康普顿边界条件被处理
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assert!(model.totrad.rad[9][0].is_finite());
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}
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}
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