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3adbdc8 67bfd4e 3adbdc8 67bfd4e ad8fd3a 67bfd4e 3adbdc8 67bfd4e 3adbdc8 edd4f75 67bfd4e 3adbdc8 67bfd4e 3adbdc8 67bfd4e 3adbdc8 d81e955 67bfd4e 3adbdc8 67bfd4e 3adbdc8 67bfd4e ad8fd3a d81e955 67bfd4e ad8fd3a 67bfd4e ad8fd3a 67bfd4e edd4f75 d81e955 3adbdc8 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 67bfd4e ad8fd3a 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 3adbdc8 67bfd4e beac2cb 67bfd4e ad8fd3a d81e955 ad8fd3a 67bfd4e ad8fd3a d81e955 67bfd4e 3adbdc8 edd4f75 67bfd4e edd4f75 beac2cb edd4f75 beac2cb edd4f75 beac2cb edd4f75 beac2cb edd4f75 ad8fd3a edd4f75 d81e955 ad8fd3a d81e955 67bfd4e d81e955 ad8fd3a d81e955 3adbdc8 67bfd4e d81e955 67bfd4e d81e955 ad8fd3a 3adbdc8 67bfd4e d81e955 67bfd4e d81e955 ad8fd3a 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 67bfd4e 3adbdc8 d81e955 67bfd4e d81e955 67bfd4e d81e955 67bfd4e d81e955 edd4f75 d81e955 67bfd4e edd4f75 beac2cb edd4f75 67bfd4e edd4f75 3adbdc8 67bfd4e beac2cb 67bfd4e ad8fd3a d81e955 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 | const express = require('express');
const multer = require('multer');
const { spawn } = require('child_process');
const path = require('path');
const fs = require('fs');
const cors = require('cors');
const archiver = require('archiver');
const https = require('https');
const http = require('http');
const app = express();
const PORT = process.env.PORT || 3001;
// Store job metadata for downloading later
const jobStore = {};
// Google Drive API key β set as a Secret in HF Spaces Settings
// (Settings β Variables and Secrets β New Secret: GOOGLE_DRIVE_API_KEY)
const GDRIVE_API_KEY = process.env.GOOGLE_DRIVE_API_KEY || '';
app.use(cors());
app.use(express.json());
app.use(express.static(path.join(__dirname, '../frontend/dist')));
// ββ Upload dir ββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββ
const uploadDir = path.join(__dirname, 'uploads');
if (!fs.existsSync(uploadDir)) fs.mkdirSync(uploadDir, { recursive: true });
const storage = multer.diskStorage({
destination: (req, file, cb) => cb(null, uploadDir),
filename: (req, file, cb) => {
const u = Date.now() + '-' + Math.round(Math.random() * 1e9);
cb(null, u + '-' + file.originalname);
},
});
const upload = multer({ storage, limits: { fileSize: 500 * 1024 * 1024 } });
const R_SCRIPT_PATH = path.join(__dirname, '..', 'lc_ms_peak_picker.R');
// ββ Helper: run R on one file βββββββββββββββββββββββββββββββββββββββββββββ
function runRScript(inputFile, outputFile, params) {
return new Promise((resolve, reject) => {
const { ppm, sn, min_pw, max_pw, pref_k, pref_i, sample_name } = params;
const args = [
R_SCRIPT_PATH,
'--input', inputFile, '--output', outputFile,
'--ppm', ppm, '--sn', sn,
'--min_pw', min_pw, '--max_pw', max_pw,
'--pref_k', pref_k, '--pref_i', pref_i,
'--sample_name', sample_name,
];
const proc = spawn('Rscript', args);
let errLog = '';
proc.stdout.on('data', d => console.log(d.toString()));
proc.stderr.on('data', d => { errLog += d; console.error(d.toString()); });
proc.on('close', code => {
if (code !== 0) return reject(new Error(`R failed for ${sample_name}: ${errLog}`));
if (!fs.existsSync(outputFile)) return reject(new Error(`No output for ${sample_name}`));
resolve(outputFile);
});
});
}
// ββ Helper: process a list of jobs β { successOutputs, errors } βββββββββββ
async function processJobs(jobs, params) {
const results = await Promise.allSettled(
jobs.map(j => runRScript(j.inputFile, j.outputFile, { ...params, sample_name: j.sample_name }))
);
const successOutputs = [], errors = [];
jobs.forEach((j, i) => {
if (results[i].status === 'fulfilled') {
successOutputs.push({ path: j.outputFile, name: `${j.sample_name}.peaks` });
} else {
errors.push({ file: j.sample_name, reason: results[i].reason?.message });
}
if (fs.existsSync(j.inputFile)) fs.unlinkSync(j.inputFile);
});
return { successOutputs, errors };
}
// ββ Helper: create ZIP on disk ββββββββββββββββββββββββββββββββββββββββββββββ
function createZipOnDisk(destPath, successOutputs, errors) {
return new Promise((resolve, reject) => {
const output = fs.createWriteStream(destPath);
const archive = archiver('zip', { zlib: { level: 6 } });
output.on('close', resolve);
archive.on('error', reject);
archive.pipe(output);
successOutputs.forEach(({ path: p, name }) => archive.file(p, { name }));
if (errors.length > 0) {
archive.append(errors.map(e => `${e.file}: ${e.reason}`).join('\n'), { name: 'errors.txt' });
}
archive.finalize();
}).then(() => {
// Delete individual output files after zipping
successOutputs.forEach(({ path: p }) => { if (fs.existsSync(p)) fs.unlinkSync(p); });
});
}
// ββ Helper: follow redirects and download a URL to disk ββββββββββββββββββ
function downloadFile(url, destPath, redirectCount = 0) {
return new Promise((resolve, reject) => {
if (redirectCount > 10) return reject(new Error('Too many redirects'));
const proto = url.startsWith('https') ? https : http;
const req = proto.get(url, { headers: { 'User-Agent': 'Mozilla/5.0' } }, res => {
if (res.statusCode === 301 || res.statusCode === 302 || res.statusCode === 307) {
return downloadFile(res.headers.location, destPath, redirectCount + 1).then(resolve).catch(reject);
}
if (res.statusCode !== 200) {
return reject(new Error(`HTTP ${res.statusCode} downloading file`));
}
const out = fs.createWriteStream(destPath);
res.pipe(out);
out.on('finish', () => out.close(resolve));
out.on('error', reject);
});
req.on('error', reject);
});
}
// ββ Helper: fetch JSON from HTTPS βββββββββββββββββββββββββββββββββββββββββ
function fetchJSON(url) {
return new Promise((resolve, reject) => {
https.get(url, { headers: { 'User-Agent': 'Mozilla/5.0' } }, res => {
let data = '';
res.on('data', c => data += c);
res.on('end', () => {
try { resolve(JSON.parse(data)); }
catch (e) { reject(new Error('Invalid JSON from Drive API: ' + data.slice(0, 200))); }
});
}).on('error', reject);
});
}
// ββ Helper: extract Drive folder ID from URL ββββββββββββββββββββββββββββββ
function extractFolderId(url) {
const patterns = [/\/folders\/([a-zA-Z0-9_-]{10,})/, /[?&]id=([a-zA-Z0-9_-]{10,})/];
for (const p of patterns) { const m = url.match(p); if (m) return m[1]; }
return null;
}
// ββ Helper: list mzML/mzXML files in a public Drive folder via API ββββββββ
async function listDriveFiles(folderId, pageToken = '', allFiles = []) {
const q = encodeURIComponent(`'${folderId}' in parents and trashed = false`);
const fields = encodeURIComponent('nextPageToken,files(id,name,mimeType,size)');
let url = `https://www.googleapis.com/drive/v3/files?q=${q}&fields=${fields}&pageSize=100&key=${GDRIVE_API_KEY}`;
if (pageToken) url += `&pageToken=${encodeURIComponent(pageToken)}`;
const data = await fetchJSON(url);
if (data.error) {
const msg = data.error.message || JSON.stringify(data.error);
throw new Error(`Drive API error: ${msg}`);
}
const supported = (data.files || []).filter(f => {
const n = f.name.toLowerCase();
return n.endsWith('.mzml') || n.endsWith('.mzxml');
});
allFiles.push(...supported);
if (data.nextPageToken) {
return listDriveFiles(folderId, data.nextPageToken, allFiles);
}
return allFiles;
}
// ββ Helper: download a file from Drive API (handles large file confirmations)
async function downloadDriveFile(fileId, destPath) {
// Using Drive API v3 alt=media β works for public files with API key
const url = `https://www.googleapis.com/drive/v3/files/${fileId}?alt=media&key=${GDRIVE_API_KEY}`;
await downloadFile(url, destPath);
}
// βββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββ
// ROUTES
// βββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββββ
// ββ Batch upload endpoint βββββββββββββββββββββββββββββββββββββββββββββββββ
app.post('/api/peak-picker/batch', upload.array('files', 100), async (req, res) => {
if (!req.files?.length) return res.status(400).json({ error: 'No files uploaded.' });
const params = {
ppm: req.body.ppm || '15', sn: req.body.sn || '1.5',
min_pw: req.body.min_pw || '5', max_pw: req.body.max_pw || '20',
pref_k: req.body.pref_k || '0', pref_i: req.body.pref_i || '0',
};
const jobs = req.files.map(f => ({
inputFile: f.path,
outputFile: path.join(uploadDir, `${f.filename}.peaks`),
sample_name: path.parse(f.originalname).name,
}));
const { successOutputs, errors } = await processJobs(jobs, params);
if (!successOutputs.length) return res.status(500).json({ error: 'All files failed.', details: errors });
const jobId = Date.now().toString(36) + '-' + Math.random().toString(36).substr(2, 5);
let finalPath = '';
let finalName = '';
if (successOutputs.length === 1 && !errors.length) {
finalPath = successOutputs[0].path;
finalName = successOutputs[0].name;
} else {
finalPath = path.join(uploadDir, `${jobId}.zip`);
finalName = 'peak_picker_results.zip';
await createZipOnDisk(finalPath, successOutputs, errors);
}
jobStore[jobId] = { path: finalPath, name: finalName, count: successOutputs.length, timestamp: Date.now() };
// Cleanup old jobs (older than 2 hours) to prevent disk filling up
if (Math.random() < 0.1) {
const TWO_HOURS = 2 * 60 * 60 * 1000;
const now = Date.now();
Object.keys(jobStore).forEach(k => {
const job = jobStore[k];
if (job.timestamp && (now - job.timestamp > TWO_HOURS)) {
try {
if (fs.existsSync(job.path)) {
fs.unlinkSync(job.path);
}
delete jobStore[k];
console.log(`Cleaned up expired job: ${k}`);
} catch (e) {
console.error(`Failed to clean up job ${k}:`, e.message);
}
}
});
}
res.json({ success: true, jobId, count: successOutputs.length, total: jobs.length, errors });
});
// ββ Google Drive endpoint βββββββββββββββββββββββββββββββββββββββββββββββββ
app.post('/api/peak-picker/gdrive', async (req, res) => {
const { folderUrl, ppm, sn, min_pw, max_pw, pref_k, pref_i } = req.body;
if (!folderUrl) return res.status(400).json({ error: 'No Google Drive folder URL provided.' });
// Check API key is configured
if (!GDRIVE_API_KEY) {
return res.status(500).json({
error: 'Google Drive API key is not configured on the server. Please add GOOGLE_DRIVE_API_KEY as a Secret in HF Spaces Settings.',
});
}
const folderId = extractFolderId(folderUrl);
if (!folderId) return res.status(400).json({ error: 'Could not parse folder ID from URL.' });
// 1. List files
let fileList;
try {
fileList = await listDriveFiles(folderId);
} catch (err) {
return res.status(500).json({ error: `Failed to list Drive folder: ${err.message}` });
}
if (!fileList.length) {
return res.status(404).json({
error: 'No .mzML or .mzXML files found in this folder. Make sure the folder is shared as "Anyone with the link can view" and contains supported files.',
});
}
// 2. Download all files
const params = { ppm: ppm||'15', sn: sn||'1.5', min_pw: min_pw||'5', max_pw: max_pw||'20', pref_k: pref_k||'0', pref_i: pref_i||'0' };
const jobs = [];
const downloadErrors = [];
await Promise.allSettled(fileList.map(async ({ id, name }) => {
const u = Date.now() + '-' + Math.round(Math.random() * 1e9);
const localPath = path.join(uploadDir, `${u}-${name}`);
try {
await downloadDriveFile(id, localPath);
jobs.push({
inputFile: localPath,
outputFile: path.join(uploadDir, `${u}-${path.parse(name).name}.peaks`),
sample_name: path.parse(name).name,
});
} catch (err) {
downloadErrors.push({ file: name, reason: err.message });
}
}));
if (!jobs.length) return res.status(500).json({ error: 'Failed to download any files.', details: downloadErrors });
// 3. Process all
const { successOutputs, errors } = await processJobs(jobs, params);
const allErrors = [...downloadErrors, ...errors];
if (!successOutputs.length) return res.status(500).json({ error: 'All files failed to process.', details: allErrors });
const jobId = Date.now().toString(36) + '-' + Math.random().toString(36).substr(2, 5);
let finalPath = '';
let finalName = '';
if (successOutputs.length === 1 && !allErrors.length) {
finalPath = successOutputs[0].path;
finalName = successOutputs[0].name;
} else {
finalPath = path.join(uploadDir, `${jobId}.zip`);
finalName = 'peak_picker_results.zip';
await createZipOnDisk(finalPath, successOutputs, allErrors);
}
jobStore[jobId] = { path: finalPath, name: finalName, count: successOutputs.length, timestamp: Date.now() };
res.json({ success: true, jobId, count: successOutputs.length, total: jobs.length, errors: allErrors });
});
// ββ Download endpoint βββββββββββββββββββββββββββββββββββββββββββββββββββββ
app.get('/api/peak-picker/download/:jobId', (req, res) => {
const job = jobStore[req.params.jobId];
if (!job || !fs.existsSync(job.path)) {
return res.status(404).send('Download link expired or invalid.');
}
res.download(job.path, job.name);
});
// ββ Check if API key is configured (called by frontend on tab switch) βββββ
app.get('/api/gdrive-status', (req, res) => {
res.json({ configured: Boolean(GDRIVE_API_KEY) });
});
// Error handling middleware (catches Multer and other unhandled errors)
app.use((err, req, res, next) => {
if (err instanceof multer.MulterError) {
if (err.code === 'LIMIT_UNEXPECTED_FILE') {
return res.status(400).json({ error: 'Too many files uploaded. Maximum is 100 files.' });
}
return res.status(400).json({ error: `Upload error: ${err.message}` });
}
console.error('Unhandled error:', err);
res.status(500).json({ error: err.message || 'Internal server error.' });
});
// Catch-all β React
app.get('*', (req, res) => {
res.sendFile(path.join(__dirname, '../frontend/dist/index.html'));
});
app.listen(PORT, () => console.log(`Server running on http://localhost:${PORT}`));
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