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https://github.com/LCPQ/QUESTDB_website.git
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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"
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weight = 1
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weight = 1
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[[menu.main]]
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[[menu.main]]
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name = "Single molecule"
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name = "Dataset"
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url = "singlemolecule"
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url = "dataset"
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weight = 2
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weight = 2
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[[menu.main]]
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name = "Multiple dataset"
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url = "multipledataset"
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weight = 3
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[[menu.main]]
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[[menu.main]]
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name = "Publications"
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name = "Publications"
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url = "publications"
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url = "publications"
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weight = 4
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weight = 3
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[[menu.main]]
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[[menu.main]]
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name = "About"
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name = "About"
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url = "about"
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url = "about"
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weight = 5
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weight = 4
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[[menu.main]]
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[[menu.main]]
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identifier = "external"
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identifier = "external"
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name = "External links"
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name = "External links"
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weight = 6
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weight = 5
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[[menu.main]]
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[[menu.main]]
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parent="external"
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parent="external"
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@ -1,5 +1,5 @@
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---
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---
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title: "Multiple dataset"
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title: "Dataset"
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date: 2019-09-27 16:41
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date: 2019-09-27 16:41
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draft: false
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draft: false
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---
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---
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@ -1,213 +0,0 @@
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---
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title: "Single molecule"
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date: 2019-08-29 09:00
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draft: false
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---
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<link rel="stylesheet" type="text/css" href="/css/modal.css" />
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<link rel="stylesheet" type="text/css" href="/css/form.css" />
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<script src="/js/processingIndicator.js" type="text/javascript"></script>
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<script src="/js/data.js" type="text/javascript"></script>
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<script src="/js/loadAllData.js" type="text/javascript"></script>
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<script src="/js/getFullDataPath.js" type="text/javascript"></script>
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<script src="/js/getTextFromFile.js" type="text/javascript"></script>
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<script src="/js/trueTypeOf.js" type="text/javascript"></script>
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<script src="/js/noNan.js"></script>
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<script src="/js/getPUblis.js"></script>
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<script src="https://cdnjs.cloudflare.com/ajax/libs/js-yaml/3.13.1/js-yaml.min.js"></script>
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<script src="/js/websiteFile.js"></script>
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{{< getDataFilesName >}}
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<script>
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window.onload = async function () {
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window.Cite = require('citation-js');
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window.dats = await loadAllData()
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window.data = new CombinedData()
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molecules = new Set(Object.values(window.dats).flat().map((d) => d.molecule))
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for (const el of molecules) {
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$("<option/>", { value: el }).text(el).appendTo($("#select_mol"))
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}
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}
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function select_mol_onchange(event) {
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update_mol(event.target.value)
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}
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function select_abs_onchange(event) {
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update_abs(window.dats["abs"][event.target.value])
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}
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function select_fluo_onchange(event) {
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update_fluo(window.dats["fluo"][event.target.value])
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}
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function select_ZPE_onchange(event) {
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update_ZPE(window.dats["ZPE"][event.target.value])
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}
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async function update_mol(molecule) {
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processingIndicator.isActive = true
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for (const [key, dat] of Object.entries(window.dats)) {
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var s = $(String.raw`#select_${key}`)
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$(s).find('option[value!=""]').remove()
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$(s).find('option[value=""]').first().prop('selected', true)
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dat.forEach((val, index) => {
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if (val.molecule == molecule) {
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$("<option/>", { value: index }).text(val.method.toString()).appendTo(s)
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}
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})
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}
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processingIndicator.isActive = false
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}
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async function update_abs(abs) {
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window.data.Abs = abs
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reload()
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}
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async function update_fluo(fluo) {
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window.data.Fluo = fluo
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reload()
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}
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async function update_ZPE(ZPE) {
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window.data.ZPE = ZPE
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reload()
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}
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async function clear() {
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$("#ex_table > tbody,data_par").each(() => {
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$(this).empty()
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})
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}
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async function reload() {
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processingIndicator.isActive = true
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clear()
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const LatexInline = ['\\(', '\\)']
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var md = [];
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var els = [];
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var customRenderingProp = ["excitations", "sourceFile", "DOI"]
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const fullNames = {
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Abs: 'Absorption',
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Fluo: "Fluorescence",
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ZPE: "ZPE"
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}
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for (const key of Object.keys(window.data)) {
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if (window.data[key] != null) {
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md.push(fullNames[key])
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for (const prop of Object.keys(window.data[key])) {
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if (!(customRenderingProp.includes(prop)))
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md.push([prop, window.data[key][prop]])
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}
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md.push(window.data[key].DOI)
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md.push(window.data[key].sourceFile)
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}
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}
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sec = $("#meta_sec")
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$(sec).empty()
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for (const element of md) {
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switch (trueTypeOf(element)) {
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case String.name:
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$("<h2/>").text(element).appendTo(sec)
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break;
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case DOI.name:
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var publi = await Cite.async(element.string)
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var publiel=$("<div/>")
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const sets=(await getPublis()).sets()
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if(sets.has(element.string)){
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$(publiel).append(sets.get(element.string))
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}
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var output = publi.format('bibliography', {
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format: 'html',
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template: 'apa',
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lang: 'en-US'
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})
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$("<a/>", {
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href: element.url,
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target: "_blank"
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}).html(output).appendTo(publiel)
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$(sec).append(publiel)
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break
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case websiteFile.name:
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$("<a/>", {
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href: element.url,
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target: "_blank",
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href: await element.getViewerURL()
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}).text("Go to file").appendTo(sec)
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break
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case Array.name:
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k = element[0]
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v = element[1]
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k = k.charAt(0).toUpperCase() + k.slice(1)
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$("<div/>").text(k + ': ' + v).appendTo(sec)
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break;
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}
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}
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var tb = $("#ex_table > tbody");
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$(tb).empty()
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for (const el of window.data.excitations) {
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row = $("<tr/>")
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var rowd = []
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rowd.push(String.raw`${LatexInline[0]} ${el.initial.toLaTeX()} \rightarrow ${el.final.toLaTeX()}${LatexInline[1]}`)
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var e = [el.Eabs, el.Efluo, el.EZPE, el.Eadia, el.Ezz]
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e.forEach((val) => rowd.push(noNanPrecision(val, 3)))
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for (d of rowd) {
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$("<td/>").text(d).appendTo(row)
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}
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tb.append(row)
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}
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await MathJax.typesetPromise();
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$("#ex_sec").attr("hidden", false)
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await MathJax.typesetPromise();
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processingIndicator.isActive = false
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}
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</script>
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<p>
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This page can calculate \(E_\text{adia}\) \(E_\text{0-0}\) from the values of \(E_\text{abs}\) \(E_\text{fluo}\) and \(\Delta
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E_\text{ZPE}\) extracted from selected dataset. We use the following equations
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</p>
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{{% Eadia %}}
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{{% E00 %}}
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<p>
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For this select a molecule and after you can select a method for absorption, fluorescence or <abbr title="Zero point energy">ZPE</abbr>
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the results are presented in a table
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<br/>
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</p>
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<form>
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<fieldset class="table">
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<div>
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<label for="select_mol">Select a molecule</label>
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<select id="select_mol" onchange="select_mol_onchange(event)">
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<option value="" disabled=true selected=true>Select a molecule</option>
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</select>
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</div>
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<div>
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<label for="select_abs">Select an absorption method</label>
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<select id="select_abs" onchange="select_abs_onchange(event)">
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<option value="" disabled=true selected=true>Select an absorption method</option>
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</select>
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</div>
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<div>
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<label for="select_fluo">Select a fluorescence method</label>
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<select id="select_fluo" onchange="select_fluo_onchange(event)">
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<option value="" disabled=true selected=true>Select a fluorescence method</option>
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</select>
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</div>
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<div>
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<label for="select_ZPE">Select a ZPE method</label>
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<select id="select_ZPE" onchange="select_ZPE_onchange(event)">
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<option value="" disabled=true selected=true>Select a ZPE method</option>
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</select>
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</div>
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</fieldset>
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</form>
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<h1>Data</h1>
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<section id=data>
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<section id="meta_sec"></section>
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<section id="ex_sec" hidden=true>
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<h2>Excitation</h2>
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<table id="ex_table">
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<thead>
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<th>Transition</th>
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<th>\(E_\text{abs}\)</th>
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<th>\(E_\text{fluo}\)</th>
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<th>\(\Delta E_\text{ZPE}\)</th>
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<th>\(E_\text{adia}\)</th>
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<th>\(E_\text{0-0}\)</th>
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</thead>
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<tbody></tbody>
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</table>
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</section>
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</section>
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{{< waitModal >}}
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