remove molecular mtx

This commit is contained in:
ntr
2019-10-31 20:43:09 +11:00
parent bfecea9a4e
commit ef5e5170cf
6 changed files with 12 additions and 243 deletions
-82
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@@ -1,82 +0,0 @@
const fs = require('fs');
const renderer = require('sdftosvg');
const SVG_OPTS = {
backgroundColor: 'none',
}
function convert(i) {
const output = `./../client/assets/molecules/${i}.svg`;
return new Promise((resolve, reject) => {
fs.readFile(`./molecules/mol${i}`, 'utf8', function rfCb(err, sdf) {
if (err) return reject(err);
// write svg
renderer.renderSdfToSvg(sdf, SVG_OPTS, function(err, svg) {
if (err) return reject(err);
fs.writeFile(output, svg, function written(err) {
if (err) reject(err);
resolve();
});
});
})
});
}
async function loop() {
for (var i = 10000; i >= 0; i--) {
try {
await convert(i);
console.log('finished record', i);
} catch (e) {
console.error('record error', i, e);
}
}
}
loop();
// const request = require('request');
// const fs = require('fs');
// const renderer = require('sdftosvg');
// const SVG_OPTS = {
// backgroundColor: 'none',
// }
// function fetch(i) {
// return new Promise((resolve, reject) => {
// const url = `https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/CID/${i}/record/SDF/?record_type=2d&response_type=save&response_basename=Structure2D_CID_2519`;
// const output = `./../client/assets/molecules/${i}.svg`;
// request(url, function cb(err, res, body) {
// if (err) reject(err);
// // write file
// fs.writeFile(`./molecules/Structure2D_CID_${i}.sdf`, body, function written(err) {
// if (err) reject(err);
// });
// // write svg
// renderer.renderSdfToSvg(body, SVG_OPTS, function(err, svg) {
// if (err) reject(err);
// fs.writeFile(output, svg, function written(err) {
// if (err) reject(err);
// resolve();
// });
// });
// });
// });
// }
// async function loop() {
// for (var i = 10000; i >= 0; i--) {
// try {
// await fetch(i);
// console.log('finished record', i);
// } catch (e) {
// console.error(e);
// }
// }
// }
-12
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@@ -1,12 +0,0 @@
const fs = require('fs');
for (let i = 10000; i >= 0; i--) {
fs.access(`./../client/assets/molecules/${i}.svg`, (err) => {
if (err) {
fs.copyFileSync(`./../client/assets/molecules/726.svg`, `./../client/assets/molecules/${i}.svg`);
console.log('defaulted', i);
}
return true;
})
}
@@ -0,0 +1,10 @@
const uuidv4 = require('uuid/v4');
// give everybody the shapes mtx
exports.up = async knex => {
await knex.raw(`
DELETE from mtx
WHERE variant = 'Molecular';
`);
};
exports.down = async () => {};
-18
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@@ -1,18 +0,0 @@
const renderer = require('sdftosvg');
const uuidv4 = require('uuid/v4');
const fs = require('fs');
function convert(f) {
const uuid = uuidv4();
const input = `./molecules/${f}`;
const output = `./../client/assets/molecules/${uuid}.svg`;
fs.readFile(input, 'utf8', (err, sdf) => {
renderer.renderSdfToSvg(sdf, {}, function(err, svg) {
if (err) console.error(input, err);
fs.writeFile(output, svg, 'utf8', err => {
if (err) console.error(err);
});
});
});
}