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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-04 13:13:55 +01:00
QUESTDB_website/content/_index.html
2019-09-24 10:02:49 +02:00

154 lines
5.3 KiB
HTML

---
title: "Welcome"
date: 2019-08-29 09:00
draft: false
---
<script src="/scripts/data.js" type="text/javascript"></script>
<script src="/scripts/getFullDataPath.js" type="text/javascript"></script>
<script src="/scripts/getTextFromFile.js" type="text/javascript"></script>
<script src="https://cdn.rawgit.com/larsgw/citation.js/archive/citation.js/citation-0.4.0-9.js" type="text/javascript"></script>
<script src="https://polyfill.io/v3/polyfill.min.js?features=es6"></script>
<script type="text/javascript" id="MathJax-script" async
src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-chtml.js">
</script>
<script src="https://cdn.plot.ly/plotly-latest.min.js"></script>
{{< getDataFilesName >}}
<script>
window.onload=function()
{
fsel=document.getElementById("fileSelect")
getDataFilesName().forEach(function(element) {
op=document.createElement("option");
op.value=element;
op.innerText=element.split('.')[0];
fsel.appendChild(op);
});
}
async function update_file(file) {
var lnk_file=document.getElementById('lnk_file');
lnk_file.setAttribute('href',String.raw`view?dataFile=${file}`);
dat= await data.loadAsync(file);
await applyData(dat);
}
async function applyData(dat) {
const Cite = require('citation-js');
// Start an async task to get publi data
let publiPromise = Cite.async(dat.doi.string)
const LatexInline=['\\(','\\)']
var par=document.getElementById("data_par")
par.innerHTML='';
var md=[];
var els=[];
md.push(["Molecule",dat.molecule]);
md.push(["Comment",dat.comment])
var dict = {
"Ground state": dat.GS,
"Excited states": dat.ES,
};
for (var key in dict){
md.push(key)
md.push(["Code",dict[key].code])
md.push(["Method",dict[key].method])
md.push(["Geometry",dict[key].geometry])
}
md.push("ZPE")
md.push(["Code",dat.ZPE.code])
md.push(["Method",dat.ZPE.method])
md.push(["DOI",dat.doi]);
div=document.getElementById("meta_div")
div.innerHTML=""
md.forEach(function(element){
var node =null;
if(typeof element==="string"){
node= document.createElement("h2");
node.innerText=element;
} else {
node = document.createElement("div");
node.innerText= element[0]+': '+element[1];
}
div.appendChild(node);
});
var tb=document.getElementById("ex_table_b");
tb.innerHTML=''
dat.excitations.forEach(el=> {
var row=document.createElement("tr")
var rowd=[]
rowd.push(String.raw`${LatexInline[0]} ${el.start.toLaTeX()} \rightarrow ${el.end.toLaTeX()}${LatexInline[1]}`)
var e=[el.Eabs,el.Efluo,el.EZPE,el.Eadia,el.Ezz]
e.forEach((val)=>rowd.push(val.toFixed(2)))
rowd.forEach((d)=>{
td=document.createElement("td")
td.innerText=d
row.appendChild(td)
})
tb.appendChild(row)
});
await MathJax.typesetPromise();
document.getElementById("ex_div").hidden=false
var plotdat = [{
x: [],
y: [],
type: 'bar'
}];
var expdat= await data.loadAsync("/"+dat.molecule.toLowerCase()+"_exp.dat")
var i;
for (i = 0; i < dat.excitations.length; i++) {
var ext=dat.excitations[i];
var exexp=expdat.excitations[i]
plotdat[0].x.push(ext.end.toString())
plotdat[0].y.push(ext.Eabs-exexp.Eabs)
}
await MathJax.typesetPromise();
var layout={title: "Absorption theory deviation"}
Plotly.newPlot('abs_plot', plotdat,layout);
document.getElementById("graph_div").hidden=false
var lnkdoi = document.createElement("a");
// Wait for the value of publi when required
let publi=await publiPromise;
let output = publi.format('bibliography', {
format: 'html',
template: 'apa',
lang: 'en-US'
})
lnkdoi.innerHTML=output
lnkdoi.setAttribute('target','_blank');
lnkdoi.setAttribute('href',dat.doi.url);
par.appendChild(lnkdoi);
}
</script>
<script>
function onValueChange(e) {
update_file(e.target.value);
}
</script>
<label>Select a data file name<br/>
<select id="fileSelect" onchange="onValueChange(event)">
<option value="" disabled=true selected=true>Select a file</option>
</select>
</label><br/>
<h1>Data</h1>
<p id=data_par>
<div id="meta_div"></div>
<div id="ex_div" hidden=true>
<h2>Excitation</h2>
<table id="ex_table">
<thead>
<th>Transition</th>
<th>\(E_\text{abs}\)</th>
<th>\(E_\text{fluo}\)</th>
<th>\(\Delta E_\text{ZPE}\)</th>
<th>\(E_\text{adia}\)</th>
<th>\(E_\text{00}\)</th>
</thead>
<tbody id="ex_table_b">
</tbody>
</table>
</div>
<div id="graph_div" hidden=true>
<div id="abs_plot">
</div>
</div>
</p>
<a target="_blank" id='lnk_file'>Go to file</a>