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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-24 13:23:40 +01:00

Remove "Single molecule" and rename "Multiple dataset"

This commit is contained in:
Mickaël Véril 2020-06-08 16:27:22 +02:00
parent b78e64bb95
commit 74feabe94a
3 changed files with 6 additions and 224 deletions

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@ -32,29 +32,24 @@ theme = "beautifulhugo"
weight = 1
[[menu.main]]
name = "Single molecule"
url = "singlemolecule"
name = "Dataset"
url = "dataset"
weight = 2
[[menu.main]]
name = "Multiple dataset"
url = "multipledataset"
weight = 3
[[menu.main]]
name = "Publications"
url = "publications"
weight = 4
weight = 3
[[menu.main]]
name = "About"
url = "about"
weight = 5
weight = 4
[[menu.main]]
identifier = "external"
name = "External links"
weight = 6
weight = 5
[[menu.main]]
parent="external"

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@ -1,5 +1,5 @@
---
title: "Multiple dataset"
title: "Dataset"
date: 2019-09-27 16:41
draft: false
---

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@ -1,213 +0,0 @@
---
title: "Single molecule"
date: 2019-08-29 09:00
draft: false
---
<link rel="stylesheet" type="text/css" href="/css/modal.css" />
<link rel="stylesheet" type="text/css" href="/css/form.css" />
<script src="/js/processingIndicator.js" type="text/javascript"></script>
<script src="/js/data.js" type="text/javascript"></script>
<script src="/js/loadAllData.js" type="text/javascript"></script>
<script src="/js/getFullDataPath.js" type="text/javascript"></script>
<script src="/js/getTextFromFile.js" type="text/javascript"></script>
<script src="/js/trueTypeOf.js" type="text/javascript"></script>
<script src="/js/noNan.js"></script>
<script src="/js/getPUblis.js"></script>
<script src="https://cdnjs.cloudflare.com/ajax/libs/js-yaml/3.13.1/js-yaml.min.js"></script>
<script src="/js/websiteFile.js"></script>
{{< getDataFilesName >}}
<script>
window.onload = async function () {
window.Cite = require('citation-js');
window.dats = await loadAllData()
window.data = new CombinedData()
molecules = new Set(Object.values(window.dats).flat().map((d) => d.molecule))
for (const el of molecules) {
$("<option/>", { value: el }).text(el).appendTo($("#select_mol"))
}
}
function select_mol_onchange(event) {
update_mol(event.target.value)
}
function select_abs_onchange(event) {
update_abs(window.dats["abs"][event.target.value])
}
function select_fluo_onchange(event) {
update_fluo(window.dats["fluo"][event.target.value])
}
function select_ZPE_onchange(event) {
update_ZPE(window.dats["ZPE"][event.target.value])
}
async function update_mol(molecule) {
processingIndicator.isActive = true
for (const [key, dat] of Object.entries(window.dats)) {
var s = $(String.raw`#select_${key}`)
$(s).find('option[value!=""]').remove()
$(s).find('option[value=""]').first().prop('selected', true)
dat.forEach((val, index) => {
if (val.molecule == molecule) {
$("<option/>", { value: index }).text(val.method.toString()).appendTo(s)
}
})
}
processingIndicator.isActive = false
}
async function update_abs(abs) {
window.data.Abs = abs
reload()
}
async function update_fluo(fluo) {
window.data.Fluo = fluo
reload()
}
async function update_ZPE(ZPE) {
window.data.ZPE = ZPE
reload()
}
async function clear() {
$("#ex_table > tbody,data_par").each(() => {
$(this).empty()
})
}
async function reload() {
processingIndicator.isActive = true
clear()
const LatexInline = ['\\(', '\\)']
var md = [];
var els = [];
var customRenderingProp = ["excitations", "sourceFile", "DOI"]
const fullNames = {
Abs: 'Absorption',
Fluo: "Fluorescence",
ZPE: "ZPE"
}
for (const key of Object.keys(window.data)) {
if (window.data[key] != null) {
md.push(fullNames[key])
for (const prop of Object.keys(window.data[key])) {
if (!(customRenderingProp.includes(prop)))
md.push([prop, window.data[key][prop]])
}
md.push(window.data[key].DOI)
md.push(window.data[key].sourceFile)
}
}
sec = $("#meta_sec")
$(sec).empty()
for (const element of md) {
switch (trueTypeOf(element)) {
case String.name:
$("<h2/>").text(element).appendTo(sec)
break;
case DOI.name:
var publi = await Cite.async(element.string)
var publiel=$("<div/>")
const sets=(await getPublis()).sets()
if(sets.has(element.string)){
$(publiel).append(sets.get(element.string))
}
var output = publi.format('bibliography', {
format: 'html',
template: 'apa',
lang: 'en-US'
})
$("<a/>", {
href: element.url,
target: "_blank"
}).html(output).appendTo(publiel)
$(sec).append(publiel)
break
case websiteFile.name:
$("<a/>", {
href: element.url,
target: "_blank",
href: await element.getViewerURL()
}).text("Go to file").appendTo(sec)
break
case Array.name:
k = element[0]
v = element[1]
k = k.charAt(0).toUpperCase() + k.slice(1)
$("<div/>").text(k + ': ' + v).appendTo(sec)
break;
}
}
var tb = $("#ex_table > tbody");
$(tb).empty()
for (const el of window.data.excitations) {
row = $("<tr/>")
var rowd = []
rowd.push(String.raw`${LatexInline[0]} ${el.initial.toLaTeX()} \rightarrow ${el.final.toLaTeX()}${LatexInline[1]}`)
var e = [el.Eabs, el.Efluo, el.EZPE, el.Eadia, el.Ezz]
e.forEach((val) => rowd.push(noNanPrecision(val, 3)))
for (d of rowd) {
$("<td/>").text(d).appendTo(row)
}
tb.append(row)
}
await MathJax.typesetPromise();
$("#ex_sec").attr("hidden", false)
await MathJax.typesetPromise();
processingIndicator.isActive = false
}
</script>
<p>
This page can calculate \(E_\text{adia}\) \(E_\text{0-0}\) from the values of \(E_\text{abs}\) \(E_\text{fluo}\) and \(\Delta
E_\text{ZPE}\) extracted from selected dataset. We use the following equations
</p>
{{% Eadia %}}
{{% E00 %}}
<p>
For this select a molecule and after you can select a method for absorption, fluorescence or <abbr title="Zero point energy">ZPE</abbr>
the results are presented in a table
<br/>
</p>
<form>
<fieldset class="table">
<div>
<label for="select_mol">Select a molecule</label>
<select id="select_mol" onchange="select_mol_onchange(event)">
<option value="" disabled=true selected=true>Select a molecule</option>
</select>
</div>
<div>
<label for="select_abs">Select an absorption method</label>
<select id="select_abs" onchange="select_abs_onchange(event)">
<option value="" disabled=true selected=true>Select an absorption method</option>
</select>
</div>
<div>
<label for="select_fluo">Select a fluorescence method</label>
<select id="select_fluo" onchange="select_fluo_onchange(event)">
<option value="" disabled=true selected=true>Select a fluorescence method</option>
</select>
</div>
<div>
<label for="select_ZPE">Select a ZPE method</label>
<select id="select_ZPE" onchange="select_ZPE_onchange(event)">
<option value="" disabled=true selected=true>Select a ZPE method</option>
</select>
</div>
</fieldset>
</form>
<h1>Data</h1>
<section id=data>
<section id="meta_sec"></section>
<section id="ex_sec" 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>\(E_\text{0-0}\)</th>
</thead>
<tbody></tbody>
</table>
</section>
</section>
{{< waitModal >}}