mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 05:43:46 +01:00
Remove "Single molecule" and rename "Multiple dataset"
This commit is contained in:
parent
b78e64bb95
commit
74feabe94a
15
config.toml
15
config.toml
@ -32,29 +32,24 @@ theme = "beautifulhugo"
|
|||||||
weight = 1
|
weight = 1
|
||||||
|
|
||||||
[[menu.main]]
|
[[menu.main]]
|
||||||
name = "Single molecule"
|
name = "Dataset"
|
||||||
url = "singlemolecule"
|
url = "dataset"
|
||||||
weight = 2
|
weight = 2
|
||||||
|
|
||||||
[[menu.main]]
|
|
||||||
name = "Multiple dataset"
|
|
||||||
url = "multipledataset"
|
|
||||||
weight = 3
|
|
||||||
|
|
||||||
[[menu.main]]
|
[[menu.main]]
|
||||||
name = "Publications"
|
name = "Publications"
|
||||||
url = "publications"
|
url = "publications"
|
||||||
weight = 4
|
weight = 3
|
||||||
|
|
||||||
[[menu.main]]
|
[[menu.main]]
|
||||||
name = "About"
|
name = "About"
|
||||||
url = "about"
|
url = "about"
|
||||||
weight = 5
|
weight = 4
|
||||||
|
|
||||||
[[menu.main]]
|
[[menu.main]]
|
||||||
identifier = "external"
|
identifier = "external"
|
||||||
name = "External links"
|
name = "External links"
|
||||||
weight = 6
|
weight = 5
|
||||||
|
|
||||||
[[menu.main]]
|
[[menu.main]]
|
||||||
parent="external"
|
parent="external"
|
||||||
|
|||||||
@ -1,5 +1,5 @@
|
|||||||
---
|
---
|
||||||
title: "Multiple dataset"
|
title: "Dataset"
|
||||||
date: 2019-09-27 16:41
|
date: 2019-09-27 16:41
|
||||||
draft: false
|
draft: false
|
||||||
---
|
---
|
||||||
@ -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 >}}
|
|
||||||
Loading…
Reference in New Issue
Block a user