tlusty重构完成

src/lib.rs

@@ -5,23 +5,14 @@
 //!
 //! # 模块结构
 //!
-//! - `state`: 状态管理 (COMMON 块转换)
-//!   - `constants`: 物理常数和维度参数
-//!   - `config`: 运行时配置
-//!   - `atomic`: 原子/离子/能级数据
-//!   - `model`: 大气模型状态
-//!   - `arrays`: 大型计算数组
-//! - `io`: Fortran I/O 兼容层
-//!   - `reader`: Fortran 格式输入读取
-//!   - `writer`: Fortran 格式输出
-//!   - `model`: 模型文件 (fort.7/8)
-//!   - `input`: 主输入 (fort.5)
-//! - `math`: 数学工具函数
-//! - `data`: 静态数据数组
-//! - `physics`: 物理计算模块
+//! - `tlusty`: TLUSTY 专用模块
+//!   - `data`: 静态数据数组
+//!   - `io`: I/O 模块
+//!   - `math`: 数学函数
+//!   - `physics`: 物理计算
+//!   - `state`: 状态管理 (COMMON 块)
+//! - `synspec`: SYNSPEC 专用模块
+//!   - `math`: 数学函数
 
-pub mod data;
-pub mod io;
-pub mod math;
-pub mod physics;
-pub mod state;
+pub mod tlusty;
+pub mod synspec;

src/synspec/math/crosew.rs

@@ -6,9 +6,9 @@
 //!
 //! 设置光致电离截面数组，用于辐射转移计算。
 
-use super::sigk::{sigk, SigkParams};
-use crate::state::atomic::AtomicData;
-use crate::state::constants::{MCROSS, MFREQ};
+use crate::tlusty::math::sigk::{sigk, SigkParams};
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::constants::{MCROSS, MFREQ};
 
 // ============================================================================
 // 常量
@@ -115,7 +115,7 @@ pub fn croset(params: &CrosetParams) -> Vec<Vec<f64>> {
                     itr: it,
                     mode: 0,
                     atomic,
-                    opdata: &super::topbas::OpData::default(),
+                    opdata: &crate::tlusty::math::topbas::OpData::default(),
                 };
                 cross[it][ij] = sigk(&sigk_params);
             }
@@ -128,7 +128,7 @@ pub fn croset(params: &CrosetParams) -> Vec<Vec<f64>> {
                     itr: it,
                     mode: 1,
                     atomic,
-                    opdata: &super::topbas::OpData::default(),
+                    opdata: &crate::tlusty::math::topbas::OpData::default(),
                 };
                 cross[it][ij] = sigk(&sigk_params);
 
@@ -226,7 +226,7 @@ pub fn crosew(params: &CrosewParams) -> Vec<Vec<f64>> {
                     itr: it,
                     mode: 0,
                     atomic,
-                    opdata: &super::topbas::OpData::default(),
+                    opdata: &crate::tlusty::math::topbas::OpData::default(),
                 };
                 cross[it][ij] = sigk(&sigk_params);
             }
@@ -239,7 +239,7 @@ pub fn crosew(params: &CrosewParams) -> Vec<Vec<f64>> {
                     itr: it,
                     mode: 1,
                     atomic,
-                    opdata: &super::topbas::OpData::default(),
+                    opdata: &crate::tlusty::math::topbas::OpData::default(),
                 };
                 cross[it][ij] = sigk(&sigk_params);
 
@@ -257,7 +257,7 @@ pub fn crosew(params: &CrosewParams) -> Vec<Vec<f64>> {
 #[cfg(test)]
 mod tests {
     use super::*;
-    use crate::state::atomic::AtomicData;
+    use crate::tlusty::state::atomic::AtomicData;
 
     fn create_test_atomic() -> AtomicData {
         let mut atomic = AtomicData::new();

src/synspec/math/mod.rs

@@ -0,0 +1,59 @@
+//! SYNSPEC 数学工具函数。
+//!
+//! 重构自 SYNSPEC Fortran 代码。
+
+mod count_words;
+mod crosew;
+mod divhe2;
+mod eps;
+mod extprf;
+mod feautr;
+mod gamhe;
+mod griem;
+mod he2sew;
+mod heset;
+mod hylset;
+mod inibla;
+mod iniblm;
+mod intrp;
+mod ispec;
+mod molop;
+mod partdv;
+mod phe2;
+mod phtion;
+mod phtx;
+mod pretab;
+mod sffhmi_old;
+mod sgmerg;
+mod starkir;
+mod tint;
+mod voigtk;
+mod wtot;
+
+pub use count_words::count_words;
+pub use crosew::{croset, crosew, CrosetParams, CrosewParams};
+pub use divhe2::divhe2;
+pub use eps::eps;
+pub use extprf::extprf;
+pub use feautr::{feautr, FeautrParams};
+pub use gamhe::{gamhe, GamheData, GamheParams};
+pub use griem::{griem, GriemParams};
+pub use he2sew::{he2sew, He2WindowParams};
+pub use heset::{heset, HesetInput, HesetOutput};
+pub use hylset::{hylset, HylsetParams, HylsetOutput};
+pub use inibla::{inibla, IniblaParams, IniblaOutput, compute_doppler_width, compute_vdw_width, compute_planck, CL, H, BOLK, BN, HK};
+pub use iniblm::{iniblm, IniblmParams, IniblmOutput, compute_molecular_doppler_width, compute_molecular_planck};
+pub use intrp::{intrp, intrp_to_vec};
+pub use ispec::{ispec, PROFILE_VOIGT, PROFILE_HYDROGEN, PROFILE_HEI_4471, PROFILE_HEI_4388, PROFILE_HEI_4026};
+pub use molop::{molop_pure, MolopConfig, MolopModelState, MolopFreqParams, MolLineData, MolModelState, MolopOutput};
+pub use partdv::{partdv, partdv_with_params, PartdvParams};
+pub use phe2::{phe2, Phe2Params, Phe2Output};
+pub use phtion::{phtion, phtion_pure, PhtionParams, PhtionOutput, PhotcsData, MFRQ};
+pub use phtx::{phtx, PhtxParams, PhtxOutput, PhtxState, LevelPhotoData, HhePhotoData};
+pub use pretab::{pretab, VoigtTables};
+pub use sffhmi_old::sffhmi_old;
+pub use sgmerg::{sgmerg, sgmerg_pure, SgmergParams};
+pub use starkir::starkir;
+pub use tint::{tint, TintResult};
+pub use voigtk::{voigtk, MVOI};
+pub use wtot::{wtot, LINE_4471, LINE_4387, LINE_4026, LINE_4922};

src/synspec/math/molop.rs

@@ -4,7 +4,7 @@
 //!
 //! 计算给定深度点的总分子谱线不透明度 (ABLIN) 和发射率 (EMLIN)。
 
-use super::voigtk::{voigtk, MVOI};
+use crate::synspec::math::voigtk::{voigtk, MVOI};
 
 /// 常量
 const UN: f64 = 1.0;

src/synspec/math/phtion.rs

@@ -4,7 +4,7 @@
 //!
 //! 计算详细光致电离的吸收和发射系数（从 READPH 读取的表格数据）。
 
-use crate::state::constants::{HK, BN};
+use crate::tlusty::state::constants::{HK, BN};
 
 /// 光致电离截面数据（对应 COMMON/PHOTCS/）
 #[derive(Debug, Clone)]

src/synspec/math/phtx.rs

@@ -6,7 +6,7 @@
 //! 1. 能级光致电离（NLTE 布居数）
 //! 2. 氢/氦光致电离（LTE 布居数）
 
-use crate::state::constants::{HK, BN};
+use crate::tlusty::state::constants::{HK, BN};
 
 /// c3 常数：hc/k [cm K]
 const C3: f64 = 1.4387886;

src/synspec/math/pretab.rs

@@ -7,7 +7,7 @@
 //! - 最多 10 个 Doppler 宽度
 //! - 共 MVOI=2001 个点
 
-use crate::math::interp::interp;
+use crate::tlusty::math::interp::interp;
 
 /// Voigt 表步长 (每 Doppler 宽度的步数)
 const VSTEPS: f64 = 200.0;
@@ -67,9 +67,9 @@ impl VoigtTables {
     /// 创建新的 Voigt 表 (未初始化)。
     pub fn new() -> Self {
         Self {
-            h0tab: vec![0.0; crate::state::MVOI],
-            h1tab: vec![0.0; crate::state::MVOI],
-            h2tab: vec![0.0; crate::state::MVOI],
+            h0tab: vec![0.0; crate::tlusty::state::MVOI],
+            h1tab: vec![0.0; crate::tlusty::state::MVOI],
+            h2tab: vec![0.0; crate::tlusty::state::MVOI],
         }
     }
 
@@ -83,7 +83,7 @@ impl VoigtTables {
     /// 3. 计算 H0TAB(i) = exp(-v²) (Gauss 轮廓)
     /// 4. 计算 H2TAB(i) = H0TAB(i) * (1 - 2v²) (二阶导数)
     pub fn compute(&mut self) {
-        let n = crate::state::MVOI;
+        let n = crate::tlusty::state::MVOI;
 
         // 准备插值输入
         let mut x = TABVI.to_vec();
@@ -133,9 +133,9 @@ mod tests {
         let tables = pretab();
 
         // 检查数组大小
-        assert_eq!(tables.h0tab.len(), crate::state::MVOI);
-        assert_eq!(tables.h1tab.len(), crate::state::MVOI);
-        assert_eq!(tables.h2tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h0tab.len(), crate::tlusty::state::MVOI);
+        assert_eq!(tables.h1tab.len(), crate::tlusty::state::MVOI);
+        assert_eq!(tables.h2tab.len(), crate::tlusty::state::MVOI);
 
         // H0TAB 在 v=0 时应为 1 (exp(0) = 1)
         assert_relative_eq!(tables.h0tab[0], 1.0, epsilon = 1e-15);
@@ -192,8 +192,8 @@ mod tests {
     #[test]
     fn test_voigt_tables_default() {
         let tables = VoigtTables::default();
-        assert_eq!(tables.h0tab.len(), crate::state::MVOI);
-        assert_eq!(tables.h1tab.len(), crate::state::MVOI);
-        assert_eq!(tables.h2tab.len(), crate::state::MVOI);
+        assert_eq!(tables.h0tab.len(), crate::tlusty::state::MVOI);
+        assert_eq!(tables.h1tab.len(), crate::tlusty::state::MVOI);
+        assert_eq!(tables.h2tab.len(), crate::tlusty::state::MVOI);
     }
 }

src/synspec/math/starkir.rs

@@ -2,7 +2,7 @@
 //!
 //! 重构自 SYNSPEC `starkir.f`
 
-use crate::math::eint;
+use crate::tlusty::math::eint;
 
 /// 物理常量
 const PI: f64 = 3.14159265;

src/synspec/mod.rs

@@ -0,0 +1,5 @@
+//! SYNSPEC 模块。
+//!
+//! 合成光谱计算。
+
+pub mod math;

src/tlusty/io/chckse.rs

@@ -7,9 +7,9 @@
 //! 计算每个能级的总进出速率，用于检查统计平衡。
 //! 输出到 fort.16：每个能级的 <OUT> 和 <IN> 速率及相对差异。
 
-use crate::state::atomic::AtomicData;
-use crate::state::constants::HK;
-use crate::state::model::ModelState;
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::constants::HK;
+use crate::tlusty::state::model::ModelState;
 
 // ============================================================================
 // 输入参数结构体
@@ -66,10 +66,10 @@ pub struct ChckseOutput {
 /// 计算 Saha-Boltzmann 因子（简化版，仅用于 CHCKSE）。
 fn compute_sbf(
     t: f64,
-    levpar: &crate::state::atomic::LevPar,
-    ionpar: &crate::state::atomic::IonPar,
+    levpar: &crate::tlusty::state::atomic::LevPar,
+    ionpar: &crate::tlusty::state::atomic::IonPar,
 ) -> Vec<f64> {
-    use crate::state::constants::BOLK;
+    use crate::tlusty::state::constants::BOLK;
 
     const CCON: f64 = 2.0706e-16;
 
@@ -344,9 +344,9 @@ pub fn format_chckse_output(output: &ChckseOutput) -> String {
 #[cfg(test)]
 mod tests {
     use super::*;
-    use crate::state::atomic::{AtomicData, IonPar, LevPar, TraPar};
-    use crate::state::constants::{MDEPTH, MLEVEL, MTRANS};
-    use crate::state::model::{CraTes, LevPop, ModPar, ModelState, RrRates, WmComp};
+    use crate::tlusty::state::atomic::{AtomicData, IonPar, LevPar, TraPar};
+    use crate::tlusty::state::constants::{MDEPTH, MLEVEL, MTRANS};
+    use crate::tlusty::state::model::{CraTes, LevPop, ModPar, ModelState, RrRates, WmComp};
 
     fn create_test_model() -> ModelState {
         let mut model = ModelState::default();

src/tlusty/io/incldy.rs

@@ -8,10 +8,10 @@
 //! - 计算深度结构和 LTE 占据数
 
 use super::{FortranReader, Result};
-use crate::state::atomic::AtomicData;
-use crate::state::config::InpPar;
-use crate::state::constants::{BOLK, MDEPTH};
-use crate::state::model::{LevPop, ModPar, WmComp};
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::config::InpPar;
+use crate::tlusty::state::constants::{BOLK, MDEPTH};
+use crate::tlusty::state::model::{LevPop, ModPar, WmComp};
 
 // ============================================================================
 // 常量
@@ -208,9 +208,9 @@ pub fn read_cloudy_model<R: std::io::BufRead>(
 #[cfg(test)]
 mod tests {
     use super::*;
-    use crate::state::config::InpPar;
-    use crate::state::constants::MDEPTH;
-    use crate::state::model::ModPar;
+    use crate::tlusty::state::config::InpPar;
+    use crate::tlusty::state::constants::MDEPTH;
+    use crate::tlusty::state::model::ModPar;
 
     fn create_test_input() -> CloudyModelInput {
         let ndpth = 5;

src/tlusty/io/initia.rs

@@ -17,7 +17,7 @@
 //! 本模块将纯计算部分提取为独立函数，便于测试。
 
 use super::{Result, FortranReader, FortranWriter};
-use crate::state::constants::*;
+use crate::tlusty::state::constants::*;
 
 // ============================================================================
 // 物理常数

src/tlusty/io/inpmod.rs

@@ -10,9 +10,9 @@
 //! - 处理分子平衡（如果启用）
 
 use super::{FortranReader, Result};
-use crate::state::atomic::{AtoPar, LevPar};
-use crate::state::config::{BasNum, InpPar};
-use crate::state::constants::{MDEPTH, MLEVEL};
+use crate::tlusty::state::atomic::{AtoPar, LevPar};
+use crate::tlusty::state::config::{BasNum, InpPar};
+use crate::tlusty::state::constants::{MDEPTH, MLEVEL};
 
 // ============================================================================
 // 常量
@@ -473,8 +473,8 @@ pub fn inpmod<R: std::io::BufRead>(
 #[cfg(test)]
 mod tests {
     use super::*;
-    use crate::state::atomic::LevPar;
-    use crate::state::config::{BasNum, InpPar};
+    use crate::tlusty::state::atomic::LevPar;
+    use crate::tlusty::state::config::{BasNum, InpPar};
     use std::io::Cursor;
 
     fn create_test_basnum() -> BasNum {

src/tlusty/io/iroset.rs

@@ -16,13 +16,13 @@
 //! - fort.41: 谱线截面摘要
 
 use super::Result;
-use crate::math::quit as quit_func;
-use crate::math::voigte as voigte_func;
-use crate::state::atomic::AtomicData;
-use crate::state::config::BasNum;
-use crate::state::constants::*;
-use crate::state::model::ModelState;
-use crate::state::odfpar::OdfData;
+use crate::tlusty::math::quit as quit_func;
+use crate::tlusty::math::voigte as voigte_func;
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::config::BasNum;
+use crate::tlusty::state::constants::*;
+use crate::tlusty::state::model::ModelState;
+use crate::tlusty::state::odfpar::OdfData;
 use std::io::Write;
 
 // ============================================================================

src/tlusty/io/kurucz.rs

@@ -12,7 +12,7 @@
 //! - 提取温度、密度、电子密度等物理量
 
 use super::{IoError, Result};
-use crate::state::constants::*;
+use crate::tlusty::state::constants::*;
 use std::io::BufRead;
 
 // ============================================================================

src/tlusty/io/levcd.rs

@@ -9,13 +9,13 @@
 //! 假设 Gamma(T)=0.05, T=Teff。
 
 use super::{FortranReader, IoError, Result};
-use crate::math::indexx as indexx_func;
-use crate::math::quit as quit_func;
-use crate::math::wn as wn_func;
-use crate::state::atomic::{AtomicData, IonPar, LevPar};
-use crate::state::constants::*;
-use crate::state::model::ModPar;
-use crate::state::odfpar::LevCom;
+use crate::tlusty::math::indexx as indexx_func;
+use crate::tlusty::math::quit as quit_func;
+use crate::tlusty::math::wn as wn_func;
+use crate::tlusty::state::atomic::{AtomicData, IonPar, LevPar};
+use crate::tlusty::state::constants::*;
+use crate::tlusty::state::model::ModPar;
+use crate::tlusty::state::odfpar::LevCom;
 use std::fs::File;
 use std::io::{BufRead, BufReader, BufWriter, Write};
 

src/tlusty/io/linset.rs

@@ -4,10 +4,10 @@
 //!
 //! 为 START 的辅助过程，设置频率点和积分权重用于谱线计算。
 
-use crate::state::atomic::{AtoPar, IonPar, LevPar, TraPar};
-use crate::state::config::{BasNum, InpPar};
-use crate::state::constants::{CAS, HALF, MFREQ, MFREQP, MTRANS, TWO, UN};
-use crate::state::model::{FrqAll, LinOvr, StdPar, Turbul};
+use crate::tlusty::state::atomic::{AtoPar, IonPar, LevPar, TraPar};
+use crate::tlusty::state::config::{BasNum, InpPar};
+use crate::tlusty::state::constants::{CAS, HALF, MFREQ, MFREQP, MTRANS, TWO, UN};
+use crate::tlusty::state::model::{FrqAll, LinOvr, StdPar, Turbul};
 
 // ============================================================================
 // 常量
@@ -260,7 +260,7 @@ fn handle_itr_zero(
         }
 
         // 调用 STARK0
-        let (xkij, wl0, fij) = crate::math::stark0(ii, jj, izz);
+        let (xkij, wl0, fij) = crate::tlusty::math::stark0(ii, jj, izz);
         let fxk = f00 * xkij;
         let dbeta = wl0 * wl0 * C18IN / fxk;
         let betad = dopp * dbeta;
@@ -268,7 +268,7 @@ fn handle_itr_zero(
         let fid0 = OS0 * (trapar.osc0[it_idx] - fij) * dop1 * PISQ1;
 
         // 调用 DIVSTR
-        let (adh, divh) = crate::math::divstr(betad, izz as i32);
+        let (adh, divh) = crate::tlusty::math::divstr(betad, izz as i32);
 
         // 计算轮廓
         let ifr0_it = trapar.ifr0[it_idx];
@@ -278,7 +278,7 @@ fn handle_itr_zero(
         for ij in ifr0_it..=ifr1_it {
             let ij_idx = (ij - 1) as usize;
             let beta = dbeta * (state.freq[ij_idx] - fr0_it).abs();
-            let sg = crate::math::starka(beta, fac, adh, betad, divh);
+            let sg = crate::tlusty::math::starka(beta, fac, adh, betad, divh);
             let mut sg0 = 0.0;
             let v = (state.freq[ij_idx] - fr0_it) * dop1;
             if v.abs() <= 13.0 {
@@ -317,7 +317,7 @@ fn handle_inmod_zero(
         let fr = state.freq[ij_idx];
 
         // 创建 PROFIL 参数
-        let profil_params = crate::math::ProfilParams {
+        let profil_params = crate::tlusty::math::ProfilParams {
             fr,
             a: params.agam,
             dop: params.dop,
@@ -335,7 +335,7 @@ fn handle_inmod_zero(
             iquasi: 0,
         };
 
-        let profil_val = crate::math::profil(&profil_params);
+        let profil_val = crate::tlusty::math::profil(&profil_params);
         state.prof[ij_idx] = profil_val * s / params.dop;
         state.ijlin[ij_idx] = itr;
     }
@@ -379,7 +379,7 @@ fn setup_simpson(
     _itr: i32,
 ) -> anyhow::Result<()> {
     if n % 2 != 1 {
-        return Err(crate::math::quit::quit_error(
+        return Err(crate::tlusty::math::quit::quit_error(
             "even number of points in Simpson - LINSET",
             n as i32,
             n as i32,
@@ -424,7 +424,7 @@ fn setup_modified_simpson(
     m: usize,
 ) -> anyhow::Result<()> {
     if n % 2 != 1 {
-        return Err(crate::math::quit::quit_error(
+        return Err(crate::tlusty::math::quit::quit_error(
             "even number of points in MSimpson - LINSET",
             n as i32,
             n as i32,
@@ -473,7 +473,7 @@ fn setup_modified_simpson(
 
     // 处理 XMAX < 0 的情况（非对称）
     if n % 4 != 1 {
-        return Err(crate::math::quit::quit_error(
+        return Err(crate::tlusty::math::quit::quit_error(
             "conflict in MSimpson - LINSET",
             n as i32,
             n as i32,
@@ -524,7 +524,7 @@ fn compute_profiles_and_weights(
         state.w[ij_idx] = params.dop * w0[i];
 
         // 创建 PROFIL 参数
-        let profil_params = crate::math::ProfilParams {
+        let profil_params = crate::tlusty::math::ProfilParams {
             fr: state.freq[ij_idx],
             a: params.agam,
             dop: params.dop,
@@ -542,7 +542,7 @@ fn compute_profiles_and_weights(
             iquasi: 0,
         };
 
-        let profil_val = crate::math::profil(&profil_params);
+        let profil_val = crate::tlusty::math::profil(&profil_params);
         state.prof[ij_idx] = profil_val * s / params.dop;
     }
 

src/tlusty/io/ltegr.rs

@@ -23,8 +23,8 @@
 //! - `wnstor`: 能级占据数存储
 
 use super::FortranWriter;
-use crate::state::constants::{BOLK, MDEPTH, HALF, TWO, UN, SIG4P};
-use crate::math::{compute_hopf, compute_temperature, rossop, RossopConfig, RossopParams, RossopModelState, RossopOutput};
+use crate::tlusty::state::constants::{BOLK, MDEPTH, HALF, TWO, UN, SIG4P};
+use crate::tlusty::math::{compute_hopf, compute_temperature, rossop, RossopConfig, RossopParams, RossopModelState, RossopOutput};
 
 // ============================================================================
 // 配置结构体

src/tlusty/io/ltegrd.rs

@@ -7,8 +7,8 @@
 //! 计算初始的 LTE-Grey 盘模型，作为后续非 LTE 迭代的起点。
 //! 这是盘模型（disk model）的计算，与大气模型（ltegr）不同。
 
-use crate::math::zmrho;
-use crate::state::constants::{HALF, MDEPTH, TWO, UN, SIG4P, SIGE, BOLK};
+use crate::tlusty::math::zmrho;
+use crate::tlusty::state::constants::{HALF, MDEPTH, TWO, UN, SIG4P, SIGE, BOLK};
 
 // ============================================================================
 // 常量

src/tlusty/io/nstpar.rs

@@ -6,7 +6,7 @@
 //! 共有 236 个可配置参数。
 
 use super::{FortranReader, FortranWriter, Result};
-use crate::math::getwrd;
+use crate::tlusty::math::getwrd;
 
 // ============================================================================
 // 参数常量

src/tlusty/io/odfset.rs

@@ -14,7 +14,7 @@ use std::fs::File;
 use std::io::{BufRead, BufReader, Write};
 
 use super::{FortranReader, IoError, Result};
-use crate::state::constants::{MDEPTH, MFODF, MFREQ, MDODF, MTRANS, MION};
+use crate::tlusty::state::constants::{MDEPTH, MFODF, MFREQ, MDODF, MTRANS, MION};
 
 // ============================================================================
 // 数据结构

src/tlusty/io/outpri.rs

@@ -11,7 +11,7 @@
 
 use std::io::{BufWriter, Write};
 
-use crate::state::constants::{MDEPTH, MFREQ, MFREX, MLEVEL, UN, HALF};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MFREX, MLEVEL, UN, HALF};
 
 // 物理常数
 /// Stefan-Boltzmann 常数 × 4

src/tlusty/io/rayini.rs

@@ -10,11 +10,11 @@
 use std::path::Path;
 
 use super::{FortranReader, IoError, Result};
-use crate::math::rayset::rayset;
-use crate::math::rayleigh::{rayleigh, RayleighParams};
-use crate::state::constants::{MDEPTH, MTABR, MTABT};
-use crate::state::model::{EosPar, NumbOpac, RaySct, RayTbl, TabLop, Vectors};
-use crate::state::config::BasNum;
+use crate::tlusty::math::rayset::rayset;
+use crate::tlusty::math::rayleigh::{rayleigh, RayleighParams};
+use crate::tlusty::state::constants::{MDEPTH, MTABR, MTABT};
+use crate::tlusty::state::model::{EosPar, NumbOpac, RaySct, RayTbl, TabLop, Vectors};
+use crate::tlusty::state::config::BasNum;
 
 /// Rayleigh 散射表数据（从文件读取）
 #[derive(Debug, Clone)]

src/tlusty/io/resolv.rs

@@ -30,8 +30,8 @@
 //! - fort.6: 标准输出（进度和诊断信息）
 
 use super::FortranWriter;
-use crate::state::constants::{MDEPTH, MFREQ, MLEVEL};
-use crate::math::{
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MLEVEL};
+use crate::tlusty::math::{
     rayset, prd, opaini, rates1_pure, ratsp1, steqeq_pure, newpop,
     elcor_pure, accelp, rosstd_evaluate, output, pzert,
     pzeval_pure, radpre_pure, timing, conout_pure,
@@ -39,9 +39,9 @@ use crate::math::{
     rybheq, princ_pure, coolrt_pure, rechck_pure, rteint, rtecmu,
     taufr1, linsel_pure, rtecf1,
 };
-use crate::state::config::TlustyConfig;
-use crate::state::atomic::AtomicData;
-use crate::state::model::ModelState;
+use crate::tlusty::state::config::TlustyConfig;
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::model::ModelState;
 
 // ============================================================================
 // 配置结构体

src/tlusty/io/settrm.rs

@@ -8,7 +8,7 @@
 //! - 计算边缘热力学量
 
 use super::{FortranReader, IoError, Result};
-use crate::math::{prsent, PrsentParams, ThermTables};
+use crate::tlusty::math::{prsent, PrsentParams, ThermTables};
 use std::path::Path;
 
 // 气体常数 (erg/mol/K)

src/tlusty/io/srtfrq.rs

@@ -8,8 +8,8 @@
 //! 3. 选择最终频率集
 //! 4. 计算积分权重
 
-use crate::state::config::BasNum;
-use crate::state::constants::{BN, HALF, HK, SIG4P, UN, TWO};
+use crate::tlusty::state::config::BasNum;
+use crate::tlusty::state::constants::{BN, HALF, HK, SIG4P, UN, TWO};
 
 /// SRTFRQ 输出信息
 #[derive(Debug, Clone, Default)]

src/tlusty/io/start.rs

@@ -16,10 +16,10 @@
 //! - fort.1: 读取 idisk 参数
 
 use super::FortranReader;
-use crate::math::{comset, ComsetParams};
-use crate::state::config::TlustyConfig;
-use crate::state::atomic::AtomicData;
-use crate::state::model::ModelState;
+use crate::tlusty::math::{comset, ComsetParams};
+use crate::tlusty::state::config::TlustyConfig;
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::model::ModelState;
 
 // ============================================================================
 // 配置参数

src/tlusty/io/tabini.rs

@@ -20,7 +20,7 @@ use std::io::{BufRead, BufReader, BufWriter, Read, Write};
 use std::path::Path;
 
 use super::{FortranReader, IoError, Result};
-use crate::state::constants::{MATOM, MFREQC, MFRTAB, MTABR, MTABT};
+use crate::tlusty::state::constants::{MATOM, MFREQC, MFRTAB, MTABR, MTABT};
 
 /// 最大表维度
 pub const MTABTO: usize = 100;

src/tlusty/io/xenini.rs

@@ -5,7 +5,7 @@
 //! 读取 XENOMORPH 表数据文件（蓝翼和红翼），填充 XenPrf 结构体。
 
 use super::{FortranReader, IoError, Result};
-use crate::state::model::XenPrf;
+use crate::tlusty::state::model::XenPrf;
 use std::io::BufRead;
 use std::path::Path;
 

src/tlusty/math/accel2.rs

@@ -18,10 +18,10 @@
 //!
 //! Auer, L. 1987, in Numerical Radiative Transfer, ed. W. Kalkofen (Cambridge: Cambridge Univ. Press), 101
 
-use crate::state::constants::{MDEPTH, MFREQ, MLEVEL};
-use crate::state::model::ModelState;
-use crate::state::config::TlustyConfig;
-use crate::state::atomic::AtomicData;
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MLEVEL};
+use crate::tlusty::state::model::ModelState;
+use crate::tlusty::state::config::TlustyConfig;
+use crate::tlusty::state::atomic::AtomicData;
 
 // ============================================================================
 // 配置参数

src/tlusty/math/accelp.rs

@@ -4,7 +4,7 @@
 //! 使用 Auer (1987) 算法加速 populations 的收敛。
 //! 参考: Numerical Radiative Transfer, p. 101
 
-use crate::io::{FortranWriter, IoError, Result};
+use crate::tlusty::io::{FortranWriter, IoError, Result};
 
 /// 加速收敛参数。
 pub struct AccelpParams<'a> {

src/tlusty/math/alifr1.rs

@@ -16,8 +16,8 @@
 //!
 //! 当 IFALI > 5 时，返回 `true`，调用者应调用 `alifr3`。
 
-use crate::state::alipar::FixAlp;
-use crate::state::constants::{UN, TWO, HALF};
+use crate::tlusty::state::alipar::FixAlp;
+use crate::tlusty::state::constants::{UN, TWO, HALF};
 
 /// ALIFR1 输入参数
 pub struct Alifr1Params {

src/tlusty/math/alifr3.rs

@@ -6,8 +6,8 @@
 //! 温度、电子密度和占据数的导数。
 //! 这是一致三对角算子的变体。
 
-use crate::state::alipar::FixAlp;
-use crate::state::constants::{MLEVEL, MDEPTH, UN, TWO};
+use crate::tlusty::state::alipar::FixAlp;
+use crate::tlusty::state::constants::{MLEVEL, MDEPTH, UN, TWO};
 
 /// ALIFR3 输入参数
 pub struct Alifr3Params {

src/tlusty/math/alifr6.rs

@@ -16,7 +16,7 @@
 //! - IBC 下边界条件处理
 //! - IFALI>=7 时额外的导数 (HEITP, HEINP, HEIPP, REDTP, REDNP, REDPP)
 
-use crate::state::constants::{MLVEXP, UN};
+use crate::tlusty::state::constants::{MLVEXP, UN};
 
 // 常量
 const T23: f64 = 2.0 / 3.0;

src/tlusty/math/alifrk.rs

@@ -6,7 +6,7 @@
 //! 计算流体静力学和辐射平衡量 - ALI 点的总加热和冷却率对
 //! 温度、电子密度和占据数的导数。
 
-use crate::state::constants::{MDEPTH, MFREQ, UN, HALF};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, UN, HALF};
 
 /// ALIFRK 输入参数
 pub struct AlifrkParams {

src/tlusty/math/alisk1.rs

@@ -22,7 +22,7 @@
 //! 5. 辐射压力计算
 //! 6. Rosseland 平均不透明度
 
-use crate::state::constants::{MDEPTH, MFREQ, MTRANS, UN, HK, PCK};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MTRANS, UN, HK, PCK};
 
 // ============================================================================
 // 配置结构体

src/tlusty/math/alisk2.rs

@@ -13,7 +13,7 @@
 //! - 支持 Opacity Sampling 选项 (ISPODF)
 //! - 扩展频率数据存储顺序不同
 
-use crate::state::constants::{MDEPTH, MFREQ, MTRANS, UN, HK, PCK};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MTRANS, UN, HK, PCK};
 
 // ============================================================================
 // 配置结构体

src/tlusty/math/alist1.rs

@@ -17,7 +17,7 @@
 //! - ALIFR1: ALI 频率相关计算
 //! - ROSSTD: Rosseland 平均不透明度
 
-use crate::state::constants::{MDEPTH, MFREQ, MLEVEL, MTRANS, HALF, HK, PCK, UN};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MLEVEL, MTRANS, HALF, HK, PCK, UN};
 
 // ============================================================================
 // 输入/输出结构体

src/tlusty/math/alist2.rs

@@ -10,7 +10,7 @@
 //! - IRDER = 2: 计算 APP (能级导数)
 //! - IRDER = 3: 计算 APT, APN, APP (所有导数)
 
-use crate::state::constants::{MDEPTH, MFREQ, MLEVEL, MTRANS, MLVEXP, UN};
+use crate::tlusty::state::constants::{MDEPTH, MFREQ, MLEVEL, MTRANS, MLVEXP, UN};
 
 /// ALIST2 输入参数（只读）
 pub struct Alist2Params<'a> {

src/tlusty/math/allard.rs

@@ -4,7 +4,7 @@
 //!
 //! 计算氢线的准分子不透明度轮廓，基于 Allard 等人的数据表。
 
-use crate::state::model::{CalphatD, CallardA, CallardB, CallardC, CallardG, ModelState};
+use crate::tlusty::state::model::{CalphatD, CallardA, CallardB, CallardC, CallardG, ModelState};
 
 // 归一化常数
 // 8.8528e-29 * lambda_0^2 * f_ij

src/tlusty/math/angset.rs

@@ -4,7 +4,7 @@
 //!
 //! 设置角度点和角度相关量，用于处理 Compton 散射。
 
-use crate::state::{Comptn, MMUC};
+use crate::tlusty::state::{Comptn, MMUC};
 
 // ============================================================================
 // 常量
@@ -105,7 +105,7 @@ pub fn angset(comptn: &mut Comptn, nmuc_init: usize) {
 #[cfg(test)]
 mod tests {
     use super::*;
-    use crate::state::MFREQ;
+    use crate::tlusty::state::MFREQ;
 
     fn create_test_comptn() -> Comptn {
         Comptn::default()

src/tlusty/math/betah.rs

@@ -2,7 +2,7 @@
 //!
 //! 重构自 TLUSTY `betah.f`
 
-use crate::math::erfcx;
+use crate::tlusty::math::erfcx;
 
 /// 求解总压力标高 β。
 ///

src/tlusty/math/bhe.rs

@@ -5,7 +5,7 @@
 //! 这些函数填充矩阵 A, B, C 的流体静力学平衡行
 //! (NFREQE+INHE)-th row。
 
-use crate::state::constants::{BOLK, HALF, MDEPTH, MFREQ, MLEVEL, MTOT, TWO, UN};
+use crate::tlusty::state::constants::{BOLK, HALF, MDEPTH, MFREQ, MLEVEL, MTOT, TWO, UN};
 
 // ============================================================================
 // 控制参数

src/tlusty/math/bpop.rs

@@ -23,13 +23,13 @@
 //! - BPOPT: B 矩阵 T 部分（温度相关）
 //! - BPOPC: B 矩阵 C 部分（电荷守恒）
 
-use crate::state::arrays::{BpoCom, MainArrays};
-use crate::state::atomic::AtomicData;
-use crate::state::config::TlustyConfig;
-use crate::state::constants::MLEVEL;
-use crate::state::iterat::IterControl;
-use crate::state::model::ModelState;
-use crate::state::alipar::FixAlp;
+use crate::tlusty::state::arrays::{BpoCom, MainArrays};
+use crate::tlusty::state::atomic::AtomicData;
+use crate::tlusty::state::config::TlustyConfig;
+use crate::tlusty::state::constants::MLEVEL;
+use crate::tlusty::state::iterat::IterControl;
+use crate::tlusty::state::model::ModelState;
+use crate::tlusty::state::alipar::FixAlp;
 
 use super::matinv;
 

src/tlusty/math/bpopc.rs

@@ -14,8 +14,8 @@
 //! - APNN = (占据数向量) * (dAJ/d(ne))
 //! - APM = (占据数向量) * (dAJ/dN)
 
-use crate::state::constants::*;
-use crate::math::state::{state_pure, StateParams, StateOutput};
+use crate::tlusty::state::constants::*;
+use crate::tlusty::math::state::{state_pure, StateParams, StateOutput};
 
 // ============================================================================
 // 输入参数结构体

src/tlusty/math/bpope.rs

@@ -4,7 +4,7 @@
 //!
 //! 处理完全重叠情况下的 B 矩阵元素。
 
-use crate::state::constants::{MFREX, MLEVEL, MLVEXP, UN};
+use crate::tlusty::state::constants::{MFREX, MLEVEL, MLVEXP, UN};
 
 /// BPOPE 输入参数
 pub struct BpopeParams {

src/tlusty/math/bpopf.rs

@@ -14,9 +14,9 @@
 //!
 //! 如果 IFALI >= 6，还需要计算 A 和 C 矩阵的相应元素。
 
-use crate::state::alipar::FixAlp;
-use crate::state::arrays::{BpoCom, MainArrays};
-use crate::state::constants::{MLEVEL, MLVEX3, MTOT, UN};
+use crate::tlusty::state::alipar::FixAlp;
+use crate::tlusty::state::arrays::{BpoCom, MainArrays};
+use crate::tlusty::state::constants::{MLEVEL, MLVEX3, MTOT, UN};
 
 /// BPOPF 输入参数
 pub struct BpopfParams<'a> {

src/tlusty/math/bpopt.rs

@@ -9,7 +9,7 @@
 //! - 处理统计平衡方程对温度和密度的依赖性
 //! - 支持 LTE 和非 LTE 两种模式
 
-use crate::state::constants::{HK, H, UN};
+use crate::tlusty::state::constants::{HK, H, UN};
 
 // ============================================================================
 // 常量

src/tlusty/math/bre.rs

@@ -5,7 +5,7 @@
 //! 计算辐射平衡方程对应的矩阵 A, B, C 部分（第 NFREQE+INRE 行）。
 //! 包含积分方程部分和微分方程部分。
 
-use crate::state::constants::{HALF, SIG4P, UN};
+use crate::tlusty::state::constants::{HALF, SIG4P, UN};
 
 // ============================================================================
 // 常量

src/tlusty/math/brez.rs

@@ -5,7 +5,7 @@
 //! 与 BRE 类似，但使用几何深度 ZD 而非柱质量密度 DM 进行差分。
 //! 用于球对称或柱对称几何配置。
 
-use crate::state::constants::{HALF, SIG4P, UN};
+use crate::tlusty::state::constants::{HALF, SIG4P, UN};
 
 /// 最大线性化能级数
 const MLVEXP: usize = 233;

src/tlusty/math/brte.rs

@@ -5,7 +5,7 @@
 //! 计算线性化辐射转移方程的矩阵 A, B, C 部分（前 NFREQE 行）。
 //! 处理三种深度情况：上边界、内部点、下边界。
 
-use crate::state::constants::{HALF, UN};
+use crate::tlusty::state::constants::{HALF, UN};
 
 // ============================================================================
 // 常量

src/tlusty/math/change.rs

@@ -7,8 +7,8 @@
 //! - 支持多种模式来计算新能级的粒子数
 //! - 使用 STEQEQ 计算 LTE 粒子数
 
-use crate::math::steqeq::{steqeq_pure, SteqeqConfig, SteqeqParams, SteqeqOutput, MAX_LEVEL};
-use crate::state::constants::{BOLK, MDEPTH, MLEVEL, UN};
+use crate::tlusty::math::steqeq::{steqeq_pure, SteqeqConfig, SteqeqParams, SteqeqOutput, MAX_LEVEL};
+use crate::tlusty::state::constants::{BOLK, MDEPTH, MLEVEL, UN};
 
 /// CHANGE 配置参数
 #[derive(Debug, Clone)]

src/tlusty/math/chctab.rs

@@ -3,8 +3,8 @@
 //! 重构自 TLUSTY `chctab.f`
 //! 比较当前模型参数与不透明度表中的参数，并调整设置以避免重复计算。
 
-use crate::io::{FortranWriter, IoError, Result};
-use crate::state::constants::MATOM;
+use crate::tlusty::io::{FortranWriter, IoError, Result};
+use crate::tlusty::state::constants::MATOM;
 
 /// 元素符号表
 pub const ELEMENT_SYMBOLS: [&str; 99] = [

src/tlusty/math/cion.rs

@@ -4,7 +4,7 @@
 //!
 //! 基于 Raymond 的方法，使用 Tim Kallman 的程序。
 
-use crate::math::expo;
+use crate::tlusty::math::expo;
 
 /// 碰撞电离速率系数数组。
 struct CionData {

src/tlusty/math/ckoest.rs

@@ -4,7 +4,7 @@
 //!
 //! 参考：Koester (1985, AA 149, 423)
 
-use crate::state::CAS;
+use crate::tlusty::state::CAS;
 
 /// 基本光子截面常数
 const PHOT0: f64 = 2.815e29;

src/tlusty/math/colh.rs

@@ -9,8 +9,8 @@ use super::butler::butler;
 use super::ceh12::ceh12;
 use super::cspec::cspec;
 use super::irc::irc;
-use crate::data::{COLH_CCOOL, COLH_CHOT};
-use crate::state::constants::{EH, HK, TWO, UN};
+use crate::tlusty::data::{COLH_CCOOL, COLH_CHOT};
+use crate::tlusty::state::constants::{EH, HK, TWO, UN};
 
 // 物理常量
 const CC0: f64 = 5.465e-11;

src/tlusty/math/colhe.rs

@@ -8,7 +8,7 @@
 //! - 支持多种碰撞速率公式（ICOL = 0, 1, 2, 3）
 //! - 包含碰撞电离和碰撞激发
 
-use crate::state::constants::{HK, H, UN};
+use crate::tlusty::state::constants::{HK, H, UN};
 
 // ============================================================================
 // 常量和数据

src/tlusty/math/colis.rs

@@ -14,7 +14,7 @@ use super::colh::{colh, ColhAtomicData, ColhOutput, ColhParams};
 use super::cspec::cspec;
 use super::irc::irc;
 use super::ylintp::ylintp;
-use crate::state::constants::{EH, HK, TWO, UN};
+use crate::tlusty::state::constants::{EH, HK, TWO, UN};
 
 // ============================================================================
 // 常量