Asfmq
b91f1e4fa5
- server: 实现按 workflow_name 的多工作流数据隔离与旧数据库平滑迁移机制 - server: 新增 API Key 认证(auth)、限流中间件(rate_limit)与运维备份接口(admin) - server: 统一 AppError 错误处理体系，重构调度器 scheduler 支持工作流级重置与抢占 - node: 节点 ID 缺失时自动生成随机 UUID，原生支持 `docker compose --scale node=N` 动态扩容 - dashboard: 前端模块化重构(state/api/components)，升级 CSS 变量设计系统与 Toast 通知 - docker/docs: 更新 /healthz 健康检查、部署脚本 IP 配置及数据库设计文档
66 lines
1.8 KiB
Rust
66 lines
1.8 KiB
Rust
use crate::config::StageConfig;
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pub fn generate_nst_content(stage: &StageConfig) -> String {
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let mut line1_parts = vec![
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"ND=50".to_string(),
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"NLAMBD=3".to_string(),
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"VTB=2.".to_string(),
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"ISPODF=1".to_string(),
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"DDNU=50.".to_string(),
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"CNU1=6.".to_string(),
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];
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if let Some(chmax) = stage.chmax {
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line1_parts.push(format!("CHMAX={}", chmax));
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}
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if let Some(itek) = stage.itek {
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line1_parts.push(format!("ITEK={}", itek));
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}
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line1_parts.push(format!("NITER={}", stage.niter));
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let mut line2_parts = Vec::new();
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if let Some(orelax) = stage.orelax {
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line2_parts.push(format!("ORELAX={}", orelax));
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}
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if let Some(idlte) = stage.idlte {
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line2_parts.push(format!("IDLTE={}", idlte));
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}
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if let Some(iacc) = stage.iacc {
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line2_parts.push(format!("IACC={}", iacc));
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}
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if let Some(ichang) = stage.ichang {
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line2_parts.push(format!("ICHANG={}", ichang));
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}
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line2_parts.push("IELCOR=-1".to_string());
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format!("{}\n{}\n", line1_parts.join(","), line2_parts.join(","))
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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_nst_generation() {
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let stage = StageConfig {
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label: "nc".to_string(),
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lte: "F".to_string(),
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ltgray: "F".to_string(),
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ilvlin: 0,
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require_converged: false,
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niter: 10,
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chmax: None,
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itek: None,
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metals: None,
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ichang: None,
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idlte: None,
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iacc: None,
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orelax: None,
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};
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let content = generate_nst_content(&stage);
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assert!(content.contains("ND=50"));
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assert!(content.contains("NITER=10"));
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assert!(content.contains("IELCOR=-1"));
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}
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}
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