mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 13:53:48 +01:00
Modernisation of the html
This commit is contained in:
parent
b40223f149
commit
521e085290
@ -17,258 +17,258 @@ draft: false
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type="text/javascript"></script>
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<script src="https://unpkg.com/simple-statistics@7.0.2/dist/simple-statistics.min.js"></script>
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<script>
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window.onload= async ()=>{
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window.onload = async () => {
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window.Cite = require('citation-js');
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$('#form_dat input[type=radio]').on('change', async function(event) {
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processingIndicator.isActive=true
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$("#Geom_th,#GSGeom_th,#ESGeom_th").each(function(){
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$(this).attr("hidden",true)
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$('#form_dat > fieldset > input[type=radio]').on('change', async function (event) {
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processingIndicator.isActive = true
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$("#Geom_th,#GSGeom_th,#ESGeom_th").each(function () {
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$(this).attr("hidden", true)
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})
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var result = $(this).val();
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var proms=[];
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var proms = [];
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switch (result) {
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case "abs":
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proms=getAbsFilesName().map((f) => AbsDataFile.loadAsync(f));
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$("#Geom_th").attr("hidden",false)
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proms = getAbsFilesName().map((f) => AbsDataFile.loadAsync(f));
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$("#Geom_th").attr("hidden", false)
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break;
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case "fluo":
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proms=getFluoFilesName().map((f) => FluoDataFile.loadAsync(f));
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$("#Geom_th").attr("hidden",false)
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proms = getFluoFilesName().map((f) => FluoDataFile.loadAsync(f));
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$("#Geom_th").attr("hidden", false)
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break;
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case "zpe":
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proms=getZPEFilesName().map((f) => ZPEDataFile.loadAsync(f));
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$("#GSGeom_th,#ESGeom_th").each(function(){
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$(this).attr("hidden",false)
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proms = getZPEFilesName().map((f) => ZPEDataFile.loadAsync(f));
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$("#GSGeom_th,#ESGeom_th").each(function () {
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$(this).attr("hidden", false)
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})
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break;
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}
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window.dats=await Promise.all(proms)
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processingIndicator.isActive=false
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window.dats = await Promise.all(proms)
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processingIndicator.isActive = false
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reloadFileSelector()
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await reloadSelect()
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})
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}
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function reloadFileSelector(){
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$("#customFiles_input").attr("value","").attr("disabled",false)
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function reloadFileSelector() {
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$("#customFiles_input").attr("value", "").attr("disabled", false)
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}
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async function reloadSelect(){
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processingIndicator.isActive=true
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radioval=$('#form_dat > input[name=datatype]:checked').val();
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const files=$("#customFiles_input")[0].files
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for(file of [...files]) {
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async function reloadSelect() {
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processingIndicator.isActive = true
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radioval = $('#form_dat > fieldset > input[name=datatype]:checked').val();
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const files = $("#customFiles_input")[0].files
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for (file of [...files]) {
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switch (radioval) {
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case "abs":
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var dat=await AbsDataFile.loadAsync(file)
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var dat = await AbsDataFile.loadAsync(file)
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window.dats.push(dat)
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break;
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case "fluo":
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dat=await FluoDataFile.loadAsync(file)
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dat = await FluoDataFile.loadAsync(file)
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window.dats.push(dat)
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break;
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case "ZPE":
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dat=await ZPEDataFile.loadAsync(file)
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dat = await ZPEDataFile.loadAsync(file)
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window.dats.push(dat)
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break;
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}
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}
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$('#form_dat > select').each(function(){
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$('#form_dat > fieldset > div > select').each(function () {
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$(this).find('option[value!=""]').remove()
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const vals=uniq(window.dats.map((d)=>{return d[$(this).attr("name")]}))
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for (const val of vals){
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$("<option/>",{
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value: JSON.stringify(val)
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const vals = uniq(window.dats.map((d) => { return d[$(this).attr("name")] }))
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for (const val of vals) {
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$("<option/>", {
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value: JSON.stringify(val)
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}).text(val.toString()).appendTo($(this))
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}
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})
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$('#form_dat > input[type="submit"').prop('disabled', false);
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processingIndicator.isActive=false
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processingIndicator.isActive = false
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await reloadContent()
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}
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async function reloadStat(){
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processingIndicator.isActive=true
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var stb=$("#stat_table > tbody")
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async function reloadStat() {
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processingIndicator.isActive = true
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var stb = $("#stat_table > tbody")
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$("#graph_div").empty()
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$(stb).empty()
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var refstr=$("#sel_ref option:selected").val()
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var sdatdic=new Map()
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var refstr = $("#sel_ref option:selected").val()
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var sdatdic = new Map()
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for (const d of window.filt) {
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const key=JSON.stringify([d.code,d.method,d.DOI])
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if(!(sdatdic.has(key)))
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{
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sdatdic.set(key,new Map())
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const key = JSON.stringify([d.code, d.method, d.DOI])
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if (!(sdatdic.has(key))) {
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sdatdic.set(key, new Map())
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}
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for(const exc of d.excitations){
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const key2=JSON.stringify([d.molecule,exc.initial,exc.final])
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const keydic=sdatdic.get(key)
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if(!(keydic.has(key2))){
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keydic.set(key2,[])
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for (const exc of d.excitations) {
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const key2 = JSON.stringify([d.molecule, exc.initial, exc.final])
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const keydic = sdatdic.get(key)
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if (!(keydic.has(key2))) {
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keydic.set(key2, [])
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}
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keydic.get(key2).push(exc.value)
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}
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}
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var sdic= new Map()
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for(const [key,sdat] of sdatdic){
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for(const [key2,exval] of sdat){
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if(!(sdic.has(key))){
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sdic.set(key,[])
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var sdic = new Map()
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for (const [key, sdat] of sdatdic) {
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for (const [key2, exval] of sdat) {
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if (!(sdic.has(key))) {
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sdic.set(key, [])
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}
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sdic.get(key).push(exval-((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key2) : NaN))
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sdic.get(key).push(exval - ((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key2) : NaN))
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}
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}
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sdic.delete(refstr)
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var graphdat=[]
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for(const[keystr,vals] of sdic){
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row=$("<tr/>")
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key=JSON.parse(keystr)
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var graphdat = []
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for (const [keystr, vals] of sdic) {
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row = $("<tr/>")
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key = JSON.parse(keystr)
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key.shift()
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Reflect.setPrototypeOf(key[0], method.prototype)
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Reflect.setPrototypeOf(key[1], doi.prototype)
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for(const el of key){
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var td=$("<td/>",{
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style:"white-space: nowrap;"
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for (const el of key) {
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var td = $("<td/>", {
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style: "white-space: nowrap;"
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})
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if(trueTypeOf(el)=="doi"){
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var publi=await window.Cite.async(el.string)
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$("<a/>",{
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href: el.url,
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target:"_blank"
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if (trueTypeOf(el) == "doi") {
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var publi = await window.Cite.async(el.string)
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$("<a/>", {
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href: el.url,
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target: "_blank"
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}).html(publi.format('citation', {
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format: 'html',
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lang: 'en-US'
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format: 'html',
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lang: 'en-US'
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})).appendTo(td)
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}
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else{
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else {
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$(td).text(el)
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}
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$(row).append(td)
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}
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const noNanVals=vals.filter((v)=>!Number.isNaN(v))
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const avals=noNanVals.map(v=>Math.abs(v))
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for(const val of [ss.min(noNanVals),ss.max(noNanVals),ss.mean(noNanVals),ss.mean(avals),ss.median(noNanVals),ss.median(avals),ss.rootMeanSquare(noNanVals),ss.variance(noNanVals),ss.standardDeviation(noNanVals)]){
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$("<td/>").text(noNanPrecision(val,3)).appendTo(row)
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const noNanVals = vals.filter((v) => !Number.isNaN(v))
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const avals = noNanVals.map(v => Math.abs(v))
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for (const val of [ss.min(noNanVals), ss.max(noNanVals), ss.mean(noNanVals), ss.mean(avals), ss.median(noNanVals), ss.median(avals), ss.rootMeanSquare(noNanVals), ss.variance(noNanVals), ss.standardDeviation(noNanVals)]) {
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$("<td/>").text(noNanPrecision(val, 3)).appendTo(row)
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}
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$(stb).append(row)
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var box = {
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x: noNanVals,
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amean: ss.mean(avals).toFixed(3),
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name: key[0].toString() + " MAD : " + ss.mean(avals).toPrecision(4),
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type: 'box',
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boxmean: 'sd'
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x: noNanVals,
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amean: ss.mean(avals).toFixed(3),
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name: key[0].toString() + " MAD : " + ss.mean(avals).toPrecision(4),
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type: 'box',
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boxmean: 'sd'
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};
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graphdat.push(box)
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}
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var layout = {
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paper_bgcolor: 'rgba(0,0,0,0)',
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plot_bgcolor: 'rgba(0,0,0,0)',
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gap: 0,
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legend: {
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traceorder: 'reversed',
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},
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xaxis: {
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title: {
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text: 'Energy (eV)',
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}
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},
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bgcolor:'#E2E2E2',
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bordercolor:'#FFFFFF',
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borderwidth: 2,
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// autosize: false,
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width: 850,
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height: 500,
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margin: {
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l: 0,
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r: 10,
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b: 15,
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t: 20,
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pad: 0,
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},
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paper_bgcolor: 'rgba(0,0,0,0)',
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plot_bgcolor: 'rgba(0,0,0,0)',
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gap: 0,
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legend: {
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traceorder: 'reversed',
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},
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xaxis: {
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title: {
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text: 'Energy (eV)',
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}
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},
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bgcolor: '#E2E2E2',
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bordercolor: '#FFFFFF',
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borderwidth: 2,
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// autosize: false,
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width: 850,
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height: 500,
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margin: {
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l: 0,
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r: 10,
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b: 15,
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t: 20,
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pad: 0,
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},
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}
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Plotly.newPlot('graph_div', graphdat, layout);
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processingIndicator.isActive=false
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processingIndicator.isActive = false
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}
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async function reloadContent(){
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processingIndicator.isActive=true
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const LatexInline=['\\(','\\)']
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window.filt=window.dats
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$('#form_dat > select').each(function(){
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const prop=$(this).attr("name")
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const values=$(this).val()
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window.filt=window.filt.filter((d)=>{
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if(typeof values=="undefined" || values==null){
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return false
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async function reloadContent() {
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processingIndicator.isActive = true
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const LatexInline = ['\\(', '\\)']
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window.filt = window.dats
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$('#form_dat > fieldset > div > select').each(function () {
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const prop = $(this).attr("name")
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const values = $(this).val()
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window.filt = window.filt.filter((d) => {
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if (typeof values == "undefined" || values == null) {
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return false
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}
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return values.includes(JSON.stringify(d[prop]))
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})
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})
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var dtb=$("#dat_table > tbody");
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var dtb = $("#dat_table > tbody");
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dtb.empty()
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sel_ref=$("#sel_ref")
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sel_ref = $("#sel_ref")
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for (const d of window.filt) {
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var row=$("<tr/>")
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var rowd=[]
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const els=[d.molecule,d.comment,d.code,d.method,d.DOI]
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var op=document.createElement("option")
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var opObjVal=els.slice(2)
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$("<option/>",{
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value:JSON.stringify(opObjVal)
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var row = $("<tr/>")
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var rowd = []
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const els = [d.molecule, d.comment, d.code, d.method, d.DOI]
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var op = document.createElement("option")
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var opObjVal = els.slice(2)
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$("<option/>", {
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value: JSON.stringify(opObjVal)
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}).text(d.method).appendTo(sel_ref)
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var tableels=els.slice()
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if(d instanceof oneStateDataFileBase){
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tableels.splice(3,0,d.geometry)
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var tableels = els.slice()
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if (d instanceof oneStateDataFileBase) {
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tableels.splice(3, 0, d.geometry)
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}
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else if(d instanceof twoStateDataFileBase){
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tableels.splice(3,0,[d.GS,d.ES])
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else if (d instanceof twoStateDataFileBase) {
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tableels.splice(3, 0, [d.GS, d.ES])
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}
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for(const el of tableels){
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td=$("<td/>",{
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style:"white-space: nowrap;"
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for (const el of tableels) {
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td = $("<td/>", {
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style: "white-space: nowrap;"
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})
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if(trueTypeOf(el)=="doi"){
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var publi= await window.Cite.async(el.string)
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$("<a/>",{
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if (trueTypeOf(el) == "doi") {
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var publi = await window.Cite.async(el.string)
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$("<a/>", {
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href: el.url,
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target: "_blank",
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}).html(publi.format('citation', {
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format: 'html',
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lang: 'en-US'
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})).appendTo(td)
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format: 'html',
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lang: 'en-US'
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})).appendTo(td)
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}
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else{
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else {
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$(td).text(el)
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}
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$(row).append(td)
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}
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$("<a/>",{
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target:"_blank",
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innerText:"Go to file",
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$("<a/>", {
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target: "_blank",
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innerText: "Go to file",
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href: await d.sourceFile.getViewerURL()
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}).appendTo($("<td/>")).appendTo(row)
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$(dtb).append(row)
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}
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processingIndicator.isActive=true
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processingIndicator.isActive = true
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await reloadStat()
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}
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</script>
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{{< getDataFilesName >}}
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<p>
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In this page you can compare multiple dataset and have somme statistics to evaluate method or basis accuracy.
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For this follow this steps
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<ol>
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<li>Select a value type (Absorbtion, fluorescence or \(\Delta \text{ZPE}\))</li>
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<li>You can add custom files if you want</li>
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<li>Choose each parameters (of course you can select multiples values for each)</li>
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<ul>
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<li>Molecule</li>
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<li>Method</li>
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<li>Paper</li>
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</ul>
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<li>Select a reference from already selected data (by default the first is already selected)</li>
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<li>Now you can see the list of selected data and some statistics about these data</li>
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</ol>
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</p>
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<form id="form_dat" action="javascript:reloadContent()" method="post">
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<p>
|
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In this page you can compare multiple dataset and have somme statistics to evaluate method or basis accuracy.
|
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For this follow this steps
|
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<ol>
|
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<li>Select a value type (Absorbtion, fluorescence or \(\Delta \text{ZPE}\))</li>
|
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<li>You can add custom files if you want</li>
|
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<li>Choose each parameters (of course you can select multiples values for each)</li>
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<ul>
|
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<li>Molecule</li>
|
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<li>Method</li>
|
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<li>Paper</li>
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</ul>
|
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<li>Select a reference from already selected data (by default the first is already selected)</li>
|
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<li>Now you can see the list of selected data and some statistics about these data</li>
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</ol>
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</p>
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<form id="form_dat" action="javascript:reloadContent()" method="post">
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<fieldset>
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<legend>Data type</legend>
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||||
<input type="radio" id="abs" value="abs" name="datatype">
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<label for="abs">Absorption</label>
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@ -276,26 +276,34 @@ draft: false
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<label for="fluo">Fluorescence</label>
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<input type="radio" id="zpe" value="zpe" name="datatype">
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<label for="zpe">\(\Delta \text{ZPE}\)</label>
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<br/>
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<label for="customFiles_input">Add custom data file</label>
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<input type="file" multiple onchange="reloadSelect()" id="customFiles_input" disabled=true></input>
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<br/>
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<label for="mol_select">Molecule</label>
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<select multiple id="mol_select" name="molecule"></select>
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<label for="method_select">Method</label>
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<select multiple id="method_select" name="method"></select>
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<label for="DOI_select">Paper</label>
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<select multiple id="DOI_select" name="DOI"></select>
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<br/>
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<input type="submit" disabled=true value="Load"></input>
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</form>
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<form id="form_ref">
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<label for="sel_ref">Reference</label>
|
||||
<select id="sel_ref" onchange="reloadStat()">
|
||||
</select>
|
||||
</form>
|
||||
<br/>
|
||||
<div id="data_div">
|
||||
</fieldset>
|
||||
<fieldset>
|
||||
<div>
|
||||
<label for="customFiles_input">Add custom data file</label>
|
||||
<input type="file" multiple onchange="reloadSelect()" id="customFiles_input" disabled=true></input>
|
||||
</div>
|
||||
</fieldset>
|
||||
<fieldset>
|
||||
<div>
|
||||
<label for="mol_select">Molecule</label>
|
||||
<select multiple id="mol_select" name="molecule"></select>
|
||||
</div>
|
||||
<div>
|
||||
<label for="method_select">Method</label>
|
||||
<select multiple id="method_select" name="method"></select>
|
||||
</div>
|
||||
<div>
|
||||
<label for="DOI_select">Paper</label>
|
||||
<select multiple id="DOI_select" name="DOI"></select>
|
||||
</div>
|
||||
</fieldset>
|
||||
<input type="submit" disabled=true value="Load"></input>
|
||||
</form>
|
||||
<form id="form_ref">
|
||||
<label for="sel_ref">Reference</label>
|
||||
<select id="sel_ref" onchange="reloadStat()"></select>
|
||||
</form>
|
||||
<section>
|
||||
<table id="dat_table">
|
||||
<thead>
|
||||
<th>Molecule</th>
|
||||
@ -311,8 +319,8 @@ draft: false
|
||||
<tbody>
|
||||
</tbody>
|
||||
</table>
|
||||
</div>
|
||||
<div id="stat_div">
|
||||
</section>
|
||||
<section>
|
||||
<table id="stat_table">
|
||||
<thead>
|
||||
<th>Method</th>
|
||||
@ -331,5 +339,5 @@ draft: false
|
||||
</tbody>
|
||||
<div id="graph_div"></div>
|
||||
</table>
|
||||
</div>
|
||||
</section>
|
||||
{{< waitModal >}}
|
||||
@ -3,186 +3,189 @@ title: "One dataset"
|
||||
date: 2019-08-29 09:00
|
||||
draft: false
|
||||
---
|
||||
<link rel="stylesheet" type="text/css" href="/css/modal.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/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)
|
||||
<link rel="stylesheet" type="text/css" href="/css/modal.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/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)
|
||||
}
|
||||
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"]
|
||||
for (const key of Object.keys(window.data)) {
|
||||
if (window.data[key] != null) {
|
||||
md.push(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":
|
||||
$("<h2/>").text(element).appendTo(sec)
|
||||
break;
|
||||
case "doi":
|
||||
var publi = await Cite.async(element.string)
|
||||
var output = publi.format('bibliography', {
|
||||
format: 'html',
|
||||
template: 'apa',
|
||||
lang: 'en-US'
|
||||
})
|
||||
}
|
||||
processingIndicator.isActive=false
|
||||
$("<a/>", {
|
||||
href: element.url,
|
||||
target: "_blank"
|
||||
}).html(output).appendTo(sec)
|
||||
break
|
||||
case "websiteFile":
|
||||
$("<a/>", {
|
||||
href: element.url,
|
||||
target: "_blank",
|
||||
href: element.getViewerURL()
|
||||
}).text("Go to file").appendTo(sec)
|
||||
break
|
||||
case "Array":
|
||||
k = element[0]
|
||||
v = element[1]
|
||||
k = k.charAt(0).toUpperCase() + k.slice(1)
|
||||
$("<div/>").text(k + ': ' + v).appendTo(sec)
|
||||
break;
|
||||
}
|
||||
async function update_abs(abs){
|
||||
window.data.Abs=abs
|
||||
reload()
|
||||
}
|
||||
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)
|
||||
}
|
||||
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(()=>{
|
||||
$(this).empty()
|
||||
})
|
||||
|
||||
}
|
||||
async function reload() {
|
||||
processingIndicator.isActive=true
|
||||
clear()
|
||||
const LatexInline=['\\(','\\)']
|
||||
var md=[];
|
||||
var els=[];
|
||||
var customRenderingProp=["excitations","sourceFile"]
|
||||
for (const key of Object.keys(window.data)) {
|
||||
if (window.data[key]!=null){
|
||||
md.push(key)
|
||||
for (const prop of Object.keys(window.data[key])) {
|
||||
if(!(customRenderingProp.includes(prop)))
|
||||
md.push([prop,window.data[key][prop]])
|
||||
}
|
||||
md.push(window.data[key].DOI)
|
||||
md.push(window.data[key].sourceFile)
|
||||
}
|
||||
}
|
||||
div=$("#meta_div")
|
||||
$(div).empty()
|
||||
for (const element of md) {
|
||||
switch (trueTypeOf(element)) {
|
||||
case "string":
|
||||
$("<h2/>").text(element).appendTo(div)
|
||||
break;
|
||||
case "doi":
|
||||
var publi=await Cite.async(element.string)
|
||||
var output = publi.format('bibliography', {
|
||||
format: 'html',
|
||||
template: 'apa',
|
||||
lang: 'en-US'
|
||||
})
|
||||
$("<a/>",{
|
||||
href:element.url,
|
||||
target:"_blank"}).html(output).appendTo(div)
|
||||
break
|
||||
case "websiteFile":
|
||||
$("<a/>",{href:element.url,
|
||||
target:"_blank",
|
||||
href: element.getViewerURL()
|
||||
}).text("Go to file").appendTo(div)
|
||||
break
|
||||
case "Array":
|
||||
k=element[0]
|
||||
v=element[1]
|
||||
k=k.charAt(0).toUpperCase() + k.slice(1)
|
||||
$("<div/>").text(k+': '+v).appendTo(div)
|
||||
break;
|
||||
}
|
||||
}
|
||||
var tb=$("#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_div").attr("hidden",false)
|
||||
await MathJax.typesetPromise();
|
||||
processingIndicator.isActive=false
|
||||
}
|
||||
</script>
|
||||
<p>
|
||||
In this page you can calculate \(E_\text{adia}\) \(E_\text{0-0}\) from \(E_\text{abs}\) \(E_\text{fluo}\) and \(\Delta E_\text{ZPE}\)
|
||||
For this select a method for absorption, fluorescence or ZPE
|
||||
</p>
|
||||
<div>
|
||||
<label>Select a molecule<br/>
|
||||
<select id="select_mol" onchange="select_mol_onchange(event)">
|
||||
<option value="" disabled=true selected=true>Select a molecule</option>
|
||||
</select>
|
||||
</label>
|
||||
tb.append(row)
|
||||
}
|
||||
await MathJax.typesetPromise();
|
||||
$("#ex_sec").attr("hidden", false)
|
||||
await MathJax.typesetPromise();
|
||||
processingIndicator.isActive = false
|
||||
}
|
||||
</script>
|
||||
<p>
|
||||
In this page you can calculate \(E_\text{adia}\) \(E_\text{0-0}\) from \(E_\text{abs}\) \(E_\text{fluo}\) and \(\Delta
|
||||
E_\text{ZPE}\)
|
||||
For this select a method for absorption, fluorescence or ZPE
|
||||
</p>
|
||||
<form>
|
||||
<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>Select an absorption method<br/>
|
||||
<select id="select_abs" onchange="select_abs_onchange(event)">
|
||||
<option value="" disabled=true selected=true>Select an absorption method</option>
|
||||
</select>
|
||||
</label>
|
||||
|
||||
<label>Select a fluorescence method<br/>
|
||||
<select id="select_fluo" onchange="select_fluo_onchange(event)">
|
||||
<option value="" disabled=true selected=true>Select a fluorescence method</option>
|
||||
</select>
|
||||
</label>
|
||||
<label>Select a ZPE method<br/>
|
||||
<select id="select_ZPE" onchange="select_ZPE_onchange(event)">
|
||||
<option value="" disabled=true selected=true>Select a ZPE method</option>
|
||||
</select>
|
||||
</label>
|
||||
<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>
|
||||
<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>\(E_\text{0-0}\)</th>
|
||||
</thead>
|
||||
<tbody></tbody>
|
||||
</table>
|
||||
</div>
|
||||
</p>
|
||||
{{< waitModal >}}
|
||||
<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>
|
||||
</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