just convert from bulk file (ask me for it)
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ops/.gitignore
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ops/.gitignore
vendored
@ -1,3 +1,4 @@
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node_modules/
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package-lock.json
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molecules/
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bulk.sdf
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@ -1,4 +1,3 @@
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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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@ -6,40 +5,78 @@ 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/${i}/record/SDF/?record_type=2d&response_type=save&response_basename=Structure2D_CID_2519`;
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function convert(i) {
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const output = `./../client/assets/molecules/${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_${i}.sdf`, body, function written(err) {
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if (err) reject(err);
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});
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return new Promise((resolve, reject) => {
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fs.readFile(`./molecules/mol${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(body, SVG_OPTS, function(err, svg) {
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if (err) reject(err);
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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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}
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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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await convert(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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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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@ -4,6 +4,7 @@
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"description": "",
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"main": "index.js",
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"scripts": {
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"split:molecules": "cd molecules; csplit -f mol bulk.sdf /\$\$\$\$/ {*} --suppress-matched -z",
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"migrate": "knex migrate:latest",
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"migrate:make": "knex migrate:make --",
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"test": "echo \"Error: no test specified\" && exit 1"
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@ -38,11 +38,6 @@ make strike *really* hit first / resolve at same time?
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* vbox drops chances
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* 50% spec, 25% colour etc
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* rework damage and resolutions
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deal_damage(colour)
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resolutions.push(skill()).flatten()
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overkill in logs
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* confirm cryp without skill ready
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* iconography
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* aoe skills
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