mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-25 13:41:50 +02:00
deploy: 605d20492c
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631010c055
commit
d2db09eb1d
@ -59,7 +59,7 @@
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"headline": "Dataset",
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"description" : "function adjustSticky() { const height = $(\u0022nav\u0022).height() $(\u0022thead.sticky tr th \u0022).css(\u0022top\u0022, height) } window.onload = async () = { window.browser = bowser.getParser(window.navigator.userAgent); $(\u0022input[type=\u0027checkbox\u0027]\u0022).trigger(\u0022change\u0022) $(\u0022input[type=\u0027number\u0027].range\u0022).trigger(\u0022change\u0022) adjustSticky(); $(window).resize(adjustSticky) var slist = $(\u0022#SelectList\u0022) getAllSelect().each(function () { $(\u0022\u0022).text($(\u0027label[for=\u0022\u0027 \u002b $(this).attr(\u0027id\u0027) \u002b \u0027\u0022]\u0027).text()).appendTo(slist) }) $(\u0027[data-needbrowser],[data-neednotbrowser]\u0027).each(function () { function test(key, value) { switch (key) { case \u0022",
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"inLanguage" : "en",
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"wordCount": 2158 ,
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"wordCount": 2159 ,
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"datePublished" : "0001-01-01T00:00:00",
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"dateModified" : "0001-01-01T00:00:00",
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"image" : "https:\/\/lcpq.github.io\/QUESTDB_website\/img\/TOC_JPCL.png",
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@ -985,13 +985,13 @@ MathJax.Hub.Config({
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const molecule =geom.parseMetadata().molecule
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if (mols.has(molecule)) {
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if (!geomDic.has(molecule)) {
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geomDic.set(molecule,[])
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geomDic.set(molecule,new Set())
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}
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geomDic.get(molecule).push(geom.toXYZ())
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geomDic.get(molecule).add(geom.toXYZ())
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}
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}
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for (const [molecule,geometries] of geomDic) {
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const xyz=geometries.join("\n\n")
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const xyz=Array.from(geometries).join("\n\n")
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var blob=new Blob([xyz],{type: 'chemical/x-xyz'})
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zip.file(`${mhchemCE.extract(molecule).toLowerCase().replace(" ","_")}.xyz`,blob)
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}
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