0f97c0b05b
新增 TLUSTY 模块: - crossd: 光电离截面评估 (bound-free cross section) - sgmer0: 合并能级光电离截面初始化 - sgmerd: 合并能级光电离截面计算 - dwnfr0: 频率网格下载 (continuum) - convc1: 对流收敛控制 (radiative) - chckse: 统计平衡检查 (rates) 扩展 RESOLV 编排器: - 添加 Feautrier 形式解 - 添加 Lucy 温度修正 - 添加 ROSSTD/PZEVAL/CONOUT 调用 - 添加 IFPOPR=2 占据数更新 - 添加 HESOL6 流体静力平衡修正 修复: - sgmer0.rs: 修复 config 未声明为 mut 的编译错误 - crossd.rs: 修复测试中使用错误字段路径的问题 (frqall.ijbf/phoexp.aijbf/phoexp.bfcs 而非 obfpar) Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
417 lines
11 KiB
Rust
417 lines
11 KiB
Rust
//! nstpar — 非标准参数输入。
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//!
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//! Fortran 原始签名: SUBROUTINE NSTPAR(FINSTD)
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//!
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//! 从输入文件读取关键字-值对，设置 SYNSPEC 的各种默认参数。
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//! 支持 44 个参数名，格式为 `KEYWORD VALUE` 或 `KEYWORD = VALUE`。
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use std::collections::HashMap;
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/// 默认参数值表（按 VARNAM 顺序）
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const VARNAM: [&str; 44] = [
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"IATREF",
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"BERGFC", "IHYDPR", "NUNHHE", "STHE",
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"ND", "NFREQS", "IBFAC",
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"INTRPL", "ICHANG", "IFEOS",
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"IOPHMI", "IOPH2P", "IOPHEM", "IOPCH", "IOPOH",
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"IOPH2M", "IOH2H2", "IOH2HE", "IOH2H1", "IOHHE",
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"IRSCT", "IRSCH2", "IRSCHE",
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"TRAD", "WDIL",
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"VTB", "IFMOL", "TMOLIM",
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"MOLTAB", "IRWTAB", "IIRWIN", "IPFEXO",
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"CUTLYM", "CUTBAL", "IHXENB",
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"GSSTD", "GWSTD",
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"IHGOM", "HGLIM",
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"ERANGE",
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"ISPICK", "ILPICK", "IPPICK",
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];
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const PVALUE_DEFAULT: [&str; 44] = [
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"1",
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"1.D0", "0", "0", "1.e19",
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"70", "120", "0",
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"0", "0", "0",
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"1", "1", "1", "1", "1",
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"1", "1", "1", "1", "1",
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"1", "1", "1",
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"0.", "0.",
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"2.", "1", "9000.",
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"1", "1", "1", "1",
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"0.", "0.", "0",
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"3.1e-5", "1.0e-7",
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"0", "1.e18",
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"0.10",
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"1", "1", "1",
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];
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/// 解析后的非标准参数
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#[derive(Debug, Clone)]
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pub struct NstparParams {
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pub iatref: i32,
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pub bergfc: f64,
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pub ihydpr: i32,
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pub nunhhe: i32,
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pub sthe: f64,
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pub nd: i32,
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pub nfreqs: i32,
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pub ibfac: i32,
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pub intrpl: i32,
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pub ichang: i32,
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pub ifeos: i32,
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pub iophmi: i32,
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pub ioph2p: i32,
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pub iophem: i32,
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pub iopch: i32,
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pub iopoh: i32,
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pub ioph2m: i32,
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pub ioh2h2: i32,
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pub ioh2he: i32,
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pub ioh2h1: i32,
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pub iohee: i32,
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pub irsct: i32,
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pub irsch2: i32,
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pub irsche: i32,
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pub trad: f64,
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pub wdil: f64,
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pub vtb: f64,
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pub ifmol: i32,
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pub tmolim: f64,
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pub moltab: i32,
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pub irwtab: i32,
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pub iirwin: i32,
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pub ipfexo: i32,
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pub cutlym: f64,
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pub cutbal: f64,
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pub ihxenb: i32,
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pub gsstd: f64,
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pub gwstd: f64,
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pub ihgom: i32,
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pub hglim: f64,
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pub erange: f64,
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pub ispick: i32,
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pub ilpick: i32,
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pub ippick: i32,
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}
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impl Default for NstparParams {
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fn default() -> Self {
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Self {
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iatref: 1,
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bergfc: 1.0,
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ihydpr: 0,
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nunhhe: 0,
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sthe: 1.0e19,
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nd: 70,
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nfreqs: 120,
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ibfac: 0,
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intrpl: 0,
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ichang: 0,
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ifeos: 0,
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iophmi: 1,
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ioph2p: 1,
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iophem: 1,
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iopch: 1,
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iopoh: 1,
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ioph2m: 1,
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ioh2h2: 1,
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ioh2he: 1,
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ioh2h1: 1,
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iohee: 1,
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irsct: 1,
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irsch2: 1,
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irsche: 1,
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trad: 0.0,
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wdil: 0.0,
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vtb: 2.0,
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ifmol: 1,
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tmolim: 9000.0,
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moltab: 1,
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irwtab: 1,
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iirwin: 1,
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ipfexo: 1,
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cutlym: 0.0,
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cutbal: 0.0,
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ihxenb: 0,
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gsstd: 3.1e-5,
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gwstd: 1.0e-7,
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ihgom: 0,
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hglim: 1.0e18,
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erange: 0.10,
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ispick: 1,
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ilpick: 1,
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ippick: 1,
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}
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}
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}
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/// 从文本行中提取下一个单词。
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///
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/// Fortran 原始: SUBROUTINE GETWRD(TEXT,K0,K1,K2)
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/// 返回 (k1, k2) - 单词的起始和结束位置（1-indexed），(0,0) 表示无单词。
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fn getwrd(text: &str, k0: usize) -> (usize, usize) {
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let chars: Vec<char> = text.chars().collect();
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let n = chars.len();
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let mut k1 = k0;
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// 跳过前导空格
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while k1 <= n && chars[k1 - 1] == ' ' {
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k1 += 1;
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}
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if k1 > n {
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return (0, 0);
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}
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let mut k2 = k1;
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while k2 <= n && chars[k2 - 1] != ' ' {
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k2 += 1;
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}
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k2 -= 1;
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(k1, k2)
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}
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/// 解析非标准参数输入。
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///
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/// Fortran 原始逻辑:
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/// 1. 逐行读取输入文本
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/// 2. 提取关键字-值对（支持 `KEY VALUE` 和 `KEY = VALUE` 格式）
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/// 3. 匹配 VARNAM 表中的关键字
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/// 4. 将值写入对应的 PVALUE 槽位
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/// 5. 最终按顺序解析所有值为具体类型
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pub fn nstpar(input_text: &str) -> NstparParams {
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let mut pvalue: Vec<String> = PVALUE_DEFAULT.iter().map(|s| s.to_string()).collect();
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// 解析输入文本中的关键字-值对
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let mut var_map: HashMap<String, usize> = HashMap::new();
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for (i, name) in VARNAM.iter().enumerate() {
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var_map.insert(name.to_string(), i);
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}
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for line in input_text.lines() {
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let line = line.trim();
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if line.is_empty() || line.starts_with('!') || line.starts_with('#') {
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continue;
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}
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let mut k0: usize = 1;
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let text_len = line.len();
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let mut current_var: usize = 0;
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let mut found_var = false;
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// 解析关键字-值对循环（匹配 Fortran 的 indv 切换逻辑）
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let mut indv = -1_i32;
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loop {
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if k0 > text_len {
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break;
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}
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let (k1, k2) = getwrd(line, k0);
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if k1 == 0 {
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break;
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}
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k0 = k2 + 2;
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let word = &line[k1 - 1..k2];
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// 跳过等号
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if word == "=" {
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continue;
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}
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indv = -indv;
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if indv == 1 {
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// 关键字位置
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if let Some(&idx) = var_map.get(word) {
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current_var = idx;
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found_var = true;
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} else {
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found_var = false;
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}
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} else if found_var {
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// 值位置，且前面找到了有效关键字
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pvalue[current_var] = word.to_string();
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found_var = false;
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}
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}
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}
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// 解析所有值为具体类型
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let parse_i32 = |s: &str| -> i32 { s.trim().parse::<f64>().unwrap_or(0.0) as i32 };
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let parse_f64 = |s: &str| -> f64 { s.trim().parse::<f64>().unwrap_or(0.0) };
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let mut params = NstparParams::default();
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params.iatref = parse_i32(&pvalue[0]);
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params.bergfc = parse_f64(&pvalue[1]);
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params.ihydpr = parse_i32(&pvalue[2]);
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params.nunhhe = parse_i32(&pvalue[3]);
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params.sthe = parse_f64(&pvalue[4]);
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params.nd = parse_i32(&pvalue[5]);
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params.nfreqs = parse_i32(&pvalue[6]);
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params.ibfac = parse_i32(&pvalue[7]);
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params.intrpl = parse_i32(&pvalue[8]);
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params.ichang = parse_i32(&pvalue[9]);
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params.ifeos = parse_i32(&pvalue[10]);
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params.iophmi = parse_i32(&pvalue[11]);
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params.ioph2p = parse_i32(&pvalue[12]);
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params.iophem = parse_i32(&pvalue[13]);
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params.iopch = parse_i32(&pvalue[14]);
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params.iopoh = parse_i32(&pvalue[15]);
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params.ioph2m = parse_i32(&pvalue[16]);
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params.ioh2h2 = parse_i32(&pvalue[17]);
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params.ioh2he = parse_i32(&pvalue[18]);
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params.ioh2h1 = parse_i32(&pvalue[19]);
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params.iohee = parse_i32(&pvalue[20]);
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params.irsct = parse_i32(&pvalue[21]);
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params.irsch2 = parse_i32(&pvalue[22]);
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params.irsche = parse_i32(&pvalue[23]);
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params.trad = parse_f64(&pvalue[24]);
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params.wdil = parse_f64(&pvalue[25]);
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params.vtb = parse_f64(&pvalue[26]);
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params.ifmol = parse_i32(&pvalue[27]);
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params.tmolim = parse_f64(&pvalue[28]);
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params.moltab = parse_i32(&pvalue[29]);
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params.irwtab = parse_i32(&pvalue[30]);
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params.iirwin = parse_i32(&pvalue[31]);
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params.ipfexo = parse_i32(&pvalue[32]);
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params.cutlym = parse_f64(&pvalue[33]);
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params.cutbal = parse_f64(&pvalue[34]);
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params.ihxenb = parse_i32(&pvalue[35]);
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params.gsstd = parse_f64(&pvalue[36]);
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params.gwstd = parse_f64(&pvalue[37]);
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params.ihgom = parse_i32(&pvalue[38]);
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params.hglim = parse_f64(&pvalue[39]);
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params.erange = parse_f64(&pvalue[40]);
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params.ispick = parse_i32(&pvalue[41]);
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params.ilpick = parse_i32(&pvalue[42]);
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params.ippick = parse_i32(&pvalue[43]);
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// Fortran 逻辑: if(imode.le.-3) 则关闭 Rayleigh 散射
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// 这里不处理 imode，由调用方负责
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params
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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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#[test]
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fn test_default_params() {
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let params = NstparParams::default();
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assert_eq!(params.iatref, 1);
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assert_eq!(params.nd, 70);
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assert_eq!(params.nfreqs, 120);
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assert_eq!(params.vtb, 2.0);
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assert_eq!(params.tmolim, 9000.0);
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}
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#[test]
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fn test_empty_input() {
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let params = nstpar("");
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assert_eq!(params.iatref, 1);
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assert_eq!(params.nd, 70);
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}
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#[test]
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fn test_parse_keyword_value() {
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let input = "ND 50\nNFREQS 200\nVTB 3.0\n";
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let params = nstpar(input);
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assert_eq!(params.nd, 50);
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assert_eq!(params.nfreqs, 200);
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assert!((params.vtb - 3.0).abs() < 1e-10);
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}
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#[test]
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fn test_parse_with_equals() {
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let input = "ND = 50\nNFREQS = 200\n";
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let params = nstpar(input);
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assert_eq!(params.nd, 50);
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assert_eq!(params.nfreqs, 200);
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}
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#[test]
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fn test_parse_float_values() {
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let input = "BERGFC 2.5\nSTHE 5.e18\nCUTLYM 0.5\n";
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let params = nstpar(input);
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assert!((params.bergfc - 2.5).abs() < 1e-10);
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assert!((params.sthe - 5.0e18).abs() < 1e10);
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assert!((params.cutlym - 0.5).abs() < 1e-10);
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}
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#[test]
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fn test_parse_opacity_switches() {
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let input = "IOPHMI 0\nIOPH2P 0\nIOPOH 0\n";
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let params = nstpar(input);
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assert_eq!(params.iophmi, 0);
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assert_eq!(params.ioph2p, 0);
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assert_eq!(params.iopoh, 0);
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}
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#[test]
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fn test_unknown_keyword_ignored() {
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let input = "UNKNOWN 42\nND 50\n";
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let params = nstpar(input);
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assert_eq!(params.nd, 50);
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}
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#[test]
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fn test_comments_skipped() {
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let input = "! This is a comment\n# Another comment\nND 50\n";
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let params = nstpar(input);
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assert_eq!(params.nd, 50);
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}
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#[test]
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fn test_getwrd_basic() {
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let (k1, k2) = getwrd("HELLO WORLD", 1);
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assert_eq!(k1, 1);
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assert_eq!(k2, 5);
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let (k1, k2) = getwrd("HELLO WORLD", 6);
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assert_eq!(k1, 7);
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assert_eq!(k2, 11);
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}
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#[test]
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fn test_getwrd_empty() {
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let (k1, k2) = getwrd(" ", 1);
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assert_eq!(k1, 0);
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assert_eq!(k2, 0);
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}
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#[test]
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fn test_full_parameter_set() {
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let input = "\
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IATREF 2
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BERGFC 1.5
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ND 30
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NFREQS 100
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IBFAC 1
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IFEOS 1
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IOPHMI 0
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VTB 3.5
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IFMOL 0
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TMOLIM 8000.
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GSSTD 1.0e-5
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GWSTD 1.0e-8
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IHGOM 1
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HGLIM 5.e17
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ERANGE 0.20
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";
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let params = nstpar(input);
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assert_eq!(params.iatref, 2);
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assert!((params.bergfc - 1.5).abs() < 1e-10);
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assert_eq!(params.nd, 30);
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assert_eq!(params.nfreqs, 100);
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assert_eq!(params.ibfac, 1);
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assert_eq!(params.ifeos, 1);
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assert_eq!(params.iophmi, 0);
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assert!((params.vtb - 3.5).abs() < 1e-10);
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assert_eq!(params.ifmol, 0);
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assert!((params.tmolim - 8000.0).abs() < 1e-10);
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assert!((params.gsstd - 1.0e-5).abs() < 1e-15);
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assert!((params.gwstd - 1.0e-8).abs() < 1e-18);
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assert_eq!(params.ihgom, 1);
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assert!((params.hglim - 5.0e17).abs() < 1e10);
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assert!((params.erange - 0.20).abs() < 1e-10);
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}
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}
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