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QUESTDB_website/static/js/GeometriesLoader.js

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JavaScript
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2020-09-28 15:39:46 +02:00
class GeometriesLoader{
static async loadForAsync(array){
var xyzs=[]
for (const item of array) {
const mymol=mhchemCE.extract(item.molecule).toLowerCase().replace(" ","_")
const myset=item.set.split("#").join("")
try {
const mol=await Geometry.loadXYZAsync(`/${myset}/${mymol}.xyz`)
xyzs.push(mol)
} catch (error) {
console.error("Geometry not found",item)
}
}
return xyzs.flat()
}
}