Add design result analysis shortcut
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Lihatoo
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@ -2213,6 +2213,10 @@ A+B</textarea>
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design_target_target: "目标浓度",
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design_target_target: "目标浓度",
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design_tube_defect: "Tube 缺陷",
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design_tube_defect: "Tube 缺陷",
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design_complex_defect: "Complex 缺陷",
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design_complex_defect: "Complex 缺陷",
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design_analyze_direct: "直接分析设计结果",
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design_load_analysis: "载入为 Analysis 输入",
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design_analysis_loaded: "已载入设计序列，可修改链浓度后分析",
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design_analysis_unavailable: "没有可分析的设计结果",
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details_json: "展开原始 JSON",
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details_json: "展开原始 JSON",
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toggle_structure_data: "结构数据",
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toggle_structure_data: "结构数据",
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toggle_pairs_panel: "配对热图",
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toggle_pairs_panel: "配对热图",
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@ -2517,6 +2521,10 @@ A+B</textarea>
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design_target_target: "Target Concentration",
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design_target_target: "Target Concentration",
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design_tube_defect: "Tube Defect",
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design_tube_defect: "Tube Defect",
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design_complex_defect: "Complex Defect",
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design_complex_defect: "Complex Defect",
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design_analyze_direct: "Analyze Designed Result",
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design_load_analysis: "Load as Analysis Input",
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design_analysis_loaded: "Designed sequences loaded; adjust strand concentrations before analysis",
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design_analysis_unavailable: "No designed result is available for analysis",
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details_json: "Show raw JSON",
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details_json: "Show raw JSON",
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toggle_structure_data: "Structure Data",
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toggle_structure_data: "Structure Data",
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toggle_pairs_panel: "Pair Heatmap",
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toggle_pairs_panel: "Pair Heatmap",
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@ -3747,6 +3755,81 @@ A+B</textarea>
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};
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};
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}
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}
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function buildAnalysisOptionsFromControls() {
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return {
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num_sample: Number(document.getElementById("numSample").value),
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energy_gap: Number(document.getElementById("energyGap").value),
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sparsity_fraction: Number(document.getElementById("sparsityFraction").value),
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sparsity_threshold: Number(document.getElementById("sparsityThreshold").value),
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single_mfe: false,
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result_limit: Number(document.getElementById("resultLimit").value),
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pairs_preview_size: Number(document.getElementById("pairsPreviewSize").value),
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};
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}
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function buildDesignedAnalysisPayload(result) {
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if (!result || workflowKind(result) !== "design" || !Array.isArray(result.strands) || !result.strands.length) {
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throw new Error(t("design_analysis_unavailable"));
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}
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const inputStrandsByName = new Map((lastPayload?.strands || []).map((strand) => [strand.name, strand]));
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const strands = result.strands.map((strand) => {
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const input = inputStrandsByName.get(strand.name) || {};
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return {
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name: strand.name,
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sequence: strand.sequence,
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concentration: Number(input.concentration ?? 1.0),
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unit: input.unit || "uM",
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};
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});
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const targetLines = (result.design?.targets || result.complexes || [])
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.map((target) => Array.isArray(target.strand_names) ? target.strand_names.join("+") : "")
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.filter(Boolean);
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return {
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workflow: "analysis",
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mode: result.mode || "tube",
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model: { ...result.model },
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compute: ["pfunc", "mfe", "pairs"],
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options: buildAnalysisOptionsFromControls(),
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strands,
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tube: {
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name: result.tube?.name || result.design?.target_tubes?.[0]?.name || "designed_tube",
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max_size: Number(result.tube?.max_size ?? result.design?.target_tubes?.[0]?.max_size ?? 2),
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},
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complexes_text: targetLines.join("\n"),
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design_domains: [],
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design_complexes: [],
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design_tubes: [],
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design: {},
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hard_constraints: [],
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soft_constraints: [],
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defect_weights: [],
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};
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}
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function loadDesignedAnalysisInput(result) {
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const payload = buildDesignedAnalysisPayload(result);
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workflowSelect.value = "analysis";
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modeSelect.value = payload.mode;
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document.getElementById("material").value = payload.model.material;
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document.getElementById("ensemble").value = payload.model.ensemble;
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document.getElementById("celsius").value = payload.model.celsius;
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document.getElementById("sodium").value = payload.model.sodium;
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document.getElementById("magnesium").value = payload.model.magnesium;
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document.getElementById("tubeName").value = payload.tube.name;
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document.getElementById("maxSize").value = payload.tube.max_size;
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document.querySelectorAll(".check input").forEach((input) => {
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input.checked = payload.compute.includes(input.value);
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});
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strandList.innerHTML = "";
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payload.strands.forEach((strand) => addStrandRow(strand));
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syncComplexRowsFromText(payload.complexes_text);
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syncWorkflow();
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syncMode();
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document.querySelector(".main-grid")?.scrollIntoView({ behavior: "smooth", block: "start" });
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setStatus(formatStatus(t("design_analysis_loaded")));
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return payload;
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}
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function renderModelCard(result) {
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function renderModelCard(result) {
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return `
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return `
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<div class="result-card">
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<div class="result-card">
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@ -3864,6 +3947,10 @@ A+B</textarea>
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<div><strong>${t("design_seed")}</strong><span class="metric-value">${stats.seed ?? "-"}</span></div>
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<div><strong>${t("design_seed")}</strong><span class="metric-value">${stats.seed ?? "-"}</span></div>
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<div><strong>${t("summary_elapsed")}</strong><span class="metric-value">${stats.design_time ? `${Number(stats.design_time).toFixed(3)} s` : "-"}</span></div>
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<div><strong>${t("summary_elapsed")}</strong><span class="metric-value">${stats.design_time ? `${Number(stats.design_time).toFixed(3)} s` : "-"}</span></div>
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</div>
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</div>
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<div class="compact-actions" style="margin-top: 12px;">
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<button class="secondary" id="loadDesignedAnalysisBtn" type="button">${t("design_load_analysis")}</button>
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<button id="runDesignedAnalysisBtn" type="button">${t("design_analyze_direct")}</button>
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</div>
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</div>
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</div>
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`;
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`;
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}
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}
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@ -5191,6 +5278,14 @@ A+B</textarea>
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document.getElementById("exportResultBtn")?.addEventListener("click", () => {
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document.getElementById("exportResultBtn")?.addEventListener("click", () => {
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if (lastResult) downloadText("nupack-design-result.json", JSON.stringify(lastResult, null, 2));
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if (lastResult) downloadText("nupack-design-result.json", JSON.stringify(lastResult, null, 2));
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});
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});
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document.getElementById("loadDesignedAnalysisBtn")?.addEventListener("click", () => {
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try {
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loadDesignedAnalysisInput(result);
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} catch (error) {
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setStatus(`${t("status_error")}: ${error.message}`, true);
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}
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});
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document.getElementById("runDesignedAnalysisBtn")?.addEventListener("click", runDesignedAnalysis);
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return;
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return;
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}
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}
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result.complexes.forEach((complex, index) => {
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result.complexes.forEach((complex, index) => {
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@ -5302,6 +5397,55 @@ A+B</textarea>
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}
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}
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}
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}
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async function runDesignedAnalysis() {
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if (activeSubmission) {
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setStatus(formatStatus(t("submission_locked")));
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return;
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}
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let payload;
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try {
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payload = buildDesignedAnalysisPayload(lastResult);
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const validationError = validatePayload(payload);
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if (validationError) throw new Error(validationError);
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} catch (error) {
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setStatus(`${t("status_error")}: ${error.message}`, true);
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return;
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}
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setSubmissionLocked(true);
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currentJobId = null;
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setStatus(formatStatus(t("status_running")));
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results.innerHTML = "";
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try {
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refreshHealth();
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const { response, data } = await fetchJsonOrThrow("/api/jobs", {
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method: "POST",
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headers: { "Content-Type": "application/json" },
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body: JSON.stringify(payload),
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});
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if (!response.ok || data.status !== "accepted") {
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throw new Error(data?.error || `Analysis failed with HTTP ${response.status}`);
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}
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currentJobId = data.job_id;
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setStatus(formatStatus(t("status_waiting_job")));
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const result = await waitForJob(data.job_id);
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result.job_id = data.job_id;
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lastPayload = payload;
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lastResult = result;
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renderResult(result);
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saveHistory(payload, result);
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renderHistory();
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setStatus(formatStatus(t("status_done")));
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} catch (error) {
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results.innerHTML = `<div class="result-card"><h3>${t("request_failed")}</h3><pre>${String(error)}</pre></div>`;
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setStatus(t("status_error"), true);
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refreshHealth();
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} finally {
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setSubmissionLocked(false);
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}
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}
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async function runAnalysis() {
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async function runAnalysis() {
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if (activeSubmission) {
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if (activeSubmission) {
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setStatus(formatStatus(t("submission_locked")));
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setStatus(formatStatus(t("submission_locked")));
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