83 lines
2.3 KiB
JavaScript
83 lines
2.3 KiB
JavaScript
const fs = require('fs');
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const renderer = require('sdftosvg');
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const SVG_OPTS = {
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backgroundColor: 'none',
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}
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function convert(i) {
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const output = `./../client/assets/molecules/${i}.svg`;
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return new Promise((resolve, reject) => {
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fs.readFile(`./molecules/mol${i}`, 'utf8', function rfCb(err, sdf) {
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if (err) return reject(err);
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// write svg
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renderer.renderSdfToSvg(sdf, SVG_OPTS, function(err, svg) {
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if (err) return reject(err);
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fs.writeFile(output, svg, function written(err) {
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if (err) reject(err);
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resolve();
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});
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});
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})
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});
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}
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async function loop() {
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for (var i = 10000; i >= 0; i--) {
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try {
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await convert(i);
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console.log('finished record', i);
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} catch (e) {
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console.error('record error', i, e);
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}
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}
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}
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loop();
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// const request = require('request');
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// const fs = require('fs');
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// const renderer = require('sdftosvg');
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// const SVG_OPTS = {
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// backgroundColor: 'none',
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// }
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// function fetch(i) {
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// return new Promise((resolve, reject) => {
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// const url = `https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/CID/${i}/record/SDF/?record_type=2d&response_type=save&response_basename=Structure2D_CID_2519`;
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// const output = `./../client/assets/molecules/${i}.svg`;
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// request(url, function cb(err, res, body) {
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// if (err) reject(err);
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// // write file
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// fs.writeFile(`./molecules/Structure2D_CID_${i}.sdf`, body, function written(err) {
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// if (err) reject(err);
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// });
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// // write svg
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// renderer.renderSdfToSvg(body, SVG_OPTS, function(err, svg) {
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// if (err) reject(err);
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// fs.writeFile(output, svg, function written(err) {
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// if (err) reject(err);
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// resolve();
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// });
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// });
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// });
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// });
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// }
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// async function loop() {
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// for (var i = 10000; i >= 0; i--) {
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// try {
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// await fetch(i);
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// console.log('finished record', i);
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// } catch (e) {
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// console.error(e);
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// }
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// }
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// }
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