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Create a root folder for the molecules.zip file (#10)
* Fix broken link * Fix bug in indexDB * Fix sourceFile for each geometry * Create a root folder for the Zip file Co-authored-by: Mickaël Véril <mveril@irsamc.ups-tlse.fr>
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@ -725,10 +725,11 @@ draft: false
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}
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async function exportGeoms() {
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const folderName = "molecules"
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var mols = new Set($("#mol_select").val())
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if (mols.size!==0) {
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const zip = JSZip();
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const root=zip.folder(folderName)
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const geomDic=new Map()
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for (const geom of window.geoms) {
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const molecule =geom.parseMetadata().molecule
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@ -742,10 +743,10 @@ draft: false
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for (const [molecule,geometries] of geomDic) {
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const xyz=Array.from(geometries).join("\n\n")
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var blob=new Blob([xyz],{type: 'chemical/x-xyz'})
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zip.file(`${mhchemCE.extract(molecule).toLowerCase().replace(" ","_")}.xyz`,blob)
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root.file(`${mhchemCE.extract(molecule).toLowerCase().replace(" ","_")}.xyz`,blob)
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}
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const zipFile = await zip.generateAsync({type: 'blob'})
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saveAs(zipFile, "molecules.zip")
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saveAs(zipFile, `${folderName}.zip`)
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}
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}
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</script>
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