mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 05:43:46 +01:00
New publis handling with sets which support multiple publications
This commit is contained in:
parent
5904358ecf
commit
62acffa870
@ -23,6 +23,7 @@ draft: false
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<script src="/js/numberRangeChange.js"></script>
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<script src="/js/DebugMode.js"></script>
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<script src="/js/numberUtils.js"></script>
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<script src="/js/PubliDB.js"></script>
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<script>
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function adjustSticky() {
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const height = $("nav").height()
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@ -79,7 +80,7 @@ draft: false
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}
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$("<li/>").text(txt).appendTo(extl)
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var cbli = $("<li/>")
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if(!DebugMode.Enabled && value==(1 << 31)){
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if (!DebugMode.Enabled && value == (1 << 31)) {
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cbli.hide()
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}
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$("<input/>", { type: "checkbox", id: "cb_" + name, name: name, value: Number(value) }).change(nestedCheckbox_change).appendTo(cbli);
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@ -96,7 +97,7 @@ draft: false
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async function loadFiles() {
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processingIndicator.isActive = true
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var chks = []
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var data= await loadAllData()
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var data = await loadAllData()
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window.defaultDats = []
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for (const sub of Object.values(data)) {
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for (const doi of uniq(sub.map(d => (d.DOI == null ? "" : d.DOI.string)))) {
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@ -120,17 +121,17 @@ draft: false
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window.defaultDats = window.defaultDats.concat(sub)
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}
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await doiCache.addRange(Array.from(new Set(window.defaultDats.filter(d=>d.DOI!==null).map(d=>d.DOI.string))))
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window.defaultDats = window.defaultDats.sort((datfa,datfb)=>{
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const DOIa=datfa.DOI
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const DOIb=datfb.DOI
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await doiCache.addRange(Array.from(new Set(window.defaultDats.filter(d => d.DOI !== null).map(d => d.DOI.string))))
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window.defaultDats = window.defaultDats.sort((datfa, datfb) => {
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const DOIa = datfa.DOI
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const DOIb = datfb.DOI
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if (DOIa == null && DOIb == null) {
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return 0
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}
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else if (DOIa == null){
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else if (DOIa == null) {
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return 1
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}
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else if (DOIb == null){
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else if (DOIb == null) {
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return -1
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}
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else {
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@ -194,35 +195,56 @@ draft: false
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selectSelectAll(afters.first())
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}
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}
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function getAllVals(select) {
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var baseval = $(select).val()
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switch (select.name) {
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case "DOI":
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vals=baseval.reduce((accumulator,currentValue)=>accumulator.concat(JSON.parse(currentValue)),[])
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return vals
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break;
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default:
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return baseval
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}
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}
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async function reloadSelect(name) {
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clearSelect(name)
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var selects = getAllSelectBefore(name, true)
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var currentselect = selects.last()
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selects = selects.slice(0, selects.length - 1)
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const vals = uniq(window.dats.filter(d => {
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var vals = uniq(window.dats.filter(d => {
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return Array.from(selects).every((el) => {
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return $(el).val().includes(getSelectValue(d, el.name))
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return getAllVals(el).includes(getSelectValue(d, el.name))
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})
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}).map((d) => getSelectValue(d, name)))
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const sets = await (async () => {
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const publis = await (async () => {
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if (name === "DOI") {
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const publis = await getPublis()
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var sets = publis.sets
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sets.set("","Unknow set")
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return sets
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const publis = await publiDB.loadAsync()
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return publis
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}
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else {
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return undefined
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}
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})()
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textSelctor=function(value){
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if (name === "DOI") {
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let newvals = []
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for (const val of vals) {
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for (const set of publis.sets.values()) {
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if (set.includes(val)) {
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newvals.push(set)
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}
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}
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}
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vals = newvals
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}
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textSelctor = function (value) {
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switch (name) {
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case "DOI":
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return sets.has(value) ? sets.get(value) : value.toString()
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setname = publis.findNameFromSet(value, true)
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return setname === null ? value.toString() : setname
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break;
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case "molecule":
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const mhchemCE=/^\\ce\{(.*)\}$/
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const m=value.match(mhchemCE)
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const mhchemCE = /^\\ce\{(.*)\}$/
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const m = value.match(mhchemCE)
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if (m) {
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return m[1]
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} else {
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@ -233,15 +255,23 @@ draft: false
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return value.toString()
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}
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}
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valueSelector = function (value) {
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if (typeof value === 'object') {
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return JSON.stringify(value)
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}
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else {
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return value
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}
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}
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for (const val of vals) {
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if (val !== null) {
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$("<option/>", {
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value: val
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value: valueSelector(val)
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}).text(textSelctor(val)).appendTo(currentselect)
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}
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}
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if (name==="molecule") {
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await MathJax.typesetPromise()
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if (name === "molecule") {
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await MathJax.typesetPromise()
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}
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}
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}
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function getSelectValue(data, name) {
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@ -371,7 +401,7 @@ draft: false
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window.filtData = window.dats
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getAllSelect().each(function () {
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const prop = $(this).attr("name")
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const values = $(this).val()
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const values = getAllVals(this)
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window.filtData = window.filtData.filter((d) => {
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if (typeof values == "undefined" || values == null) {
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return false
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@ -381,7 +411,7 @@ draft: false
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})
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})
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window.T1ref = new Map()
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var dois = new Set(window.filtData.map((d) =>d.DOI===null ? "" : d.DOI.string))
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var dois = new Set(window.filtData.map((d) => d.DOI === null ? "" : d.DOI.string))
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var mols = new Set(window.filtData.map((d) => d.molecule))
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await window.doiCache.addRange(dois)
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for (const doi of dois) {
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@ -427,8 +457,9 @@ draft: false
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var data = $("#data")
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$(data).empty();
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if (window.filtData.length > 0) {
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var sets = (await getPublis()).sets
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sets.set("","Unknow set")
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var publis = await publiDB.loadAsync()
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var PreviousSetName = undefined
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var CurrentsetName = undefined
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for (const doi of doiCache.keys()) {
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paperdata = window.filtData.filter((d) => {
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return (d.DOI === null ? "" : d.DOI.string) == doi
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@ -454,7 +485,11 @@ draft: false
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}
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})
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var div = $('<div/>').appendTo(data)
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$("<h1/>").text(sets.get(doi)).appendTo(div)
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CurrentsetName = publis.findSetNameFromDOI(doi, true)
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if (PreviousSetName !== CurrentsetName) {
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$("<h1/>").text(CurrentsetName).appendTo(div)
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}
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$("<h2/>").text(doiCache.get(doi).format('data', { format: 'object' })[0].title).appendTo(div)
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var table = $("<table/>").addClass("datatable").appendTo(div)
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var head = $("<tr/>")
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$("<thead/>").addClass("sticky").append(head).appendTo(table)
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@ -495,7 +530,7 @@ draft: false
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}
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for (const [molecule, moldat] of datadic.entries()) {
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var printmol = true;
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const mhchemCE=/^\\ce\{.*\}$/
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const mhchemCE = /^\\ce\{.*\}$/
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for (const [jsonex, exdat] of moldat.entries()) {
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const ex = JSON.parse(jsonex)
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Reflect.setPrototypeOf(ex[0], state.prototype)
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@ -511,7 +546,7 @@ draft: false
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if (ex[3].Value == VertExcitationKinds.Fluorescence.Value) {
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Vertkindtext = String.raw`[\mathrm{F}]`
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}
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desctex=""
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desctex = ""
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if (ex[2].description.string) {
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desctex = "(" + ex[2].description.string + ")"
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}
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@ -539,6 +574,7 @@ draft: false
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tbody.append(tr)
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}
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}
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PreviousSetName === CurrentsetName
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}
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await MathJax.typesetPromise()
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}
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@ -562,7 +598,9 @@ draft: false
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}
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async function submitdat() {
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if (!DebugMode.Enabled) {
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window.onbeforeunload = () => { return ''; }
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window.onbeforeunload = () => { return ''; }
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window.onbeforeunload = () => { return ''; }
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window.onbeforeunload = () => { return ''; }
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}
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await reloadContent();
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}
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@ -577,113 +615,115 @@ draft: false
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</p>
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</noscript>
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<p>
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On this page you can compare multiple dataset and have some statistics to evaluate method accuracy (All fields marked with a red asterisk (<span style="color: red;">*</span>) are mandatory).
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On this page you can compare multiple dataset and have some statistics to evaluate method accuracy (All fields marked
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with a red asterisk (<span style="color: red;">*</span>) are mandatory).
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</p>
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<form id="form_dat" action="javascript:submitdat()" method="post">
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<fieldset class="main">
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<fieldset>
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<legend>Import custom files</legend>
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<p>
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Import custom files to compare it's data to the reference datasets.
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</p>
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<div>
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<label for="absFiles_input">Import custom absorption data files</label>
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<input type="file" multiple onchange="reloadCustomFiles()" id="absFiles_input" name="file_abs"></input>
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</div>
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<div>
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<label for="fluoFiles_input">import custom fluorescence data files</label>
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<input type="file" multiple onchange="reloadCustomFiles()" id="fluoFiles_input" name="file_fluo"></input>
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</div>
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</fieldset>
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<fieldset class="table">
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<legend>Data selection</legend>
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<p>Choose each parameter (of course you can select multiple values for each) you can use the <button
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disabled>Select all</button> button to select all items <span hidden
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<fieldset>
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<legend>Import custom files</legend>
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<p>
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Import custom files to compare it's data to the reference datasets.
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</p>
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<div>
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<label for="absFiles_input">Import custom absorption data files</label>
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<input type="file" multiple onchange="reloadCustomFiles()" id="absFiles_input" name="file_abs"></input>
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</div>
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<div>
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<label for="fluoFiles_input">import custom fluorescence data files</label>
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<input type="file" multiple onchange="reloadCustomFiles()" id="fluoFiles_input" name="file_fluo"></input>
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</div>
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</fieldset>
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<fieldset class="table">
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<legend>Data selection</legend>
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<p>Choose each parameter (of course you can select multiple values for each) you can use the <button
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disabled>Select all</button> button to select all items <span hidden
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data-needbrowser='{"Engine":["WebKit","Blink"],"Platform":["desktop"]}'>or use the <kbd
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data-needbrowser='{"OS":["MacOS"]}'>⌘</kbd><kbd
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data-neednotbrowser='{"OS":["MacOS"]}'>Ctrl</kbd>+<kbd>A</kbd> shortcut key</span>
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</p>
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<div style="display: inline-block;">
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<label for="DOI_select" class="required">Sets</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="DOI_select" required name="DOI" onchange="reloadNextSelect(event)"></select>
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</div>
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<div style="display:inline-block">
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<label for="mol_select" class="required">Molecules</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="mol_select" required name="molecule" onchange="reloadNextSelect(event)"></select>
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</div>
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<br />
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<div style="display: inline-block;">
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<label for="method_select" class="required">Methods</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="method_select" required name="method" onchange="reloadNextSelect(event)"></select>
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</div>
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<div style="display: inline-block;">
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<label for="basis_select" class="required">Basis sets</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="basis_select" required name="basis" onchange="reloadNextSelect(event)"></select>
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</div>
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</fieldset>
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<fieldset>
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<legend class="required"
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>Vertical excitation kind</legend>
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<p>Choose what kind of vertical excitations you want</p>
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<ul class="nestedCbList" style="padding-left: 0em;">
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<li>
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<input type="checkbox" data-onerequired="true" checked onchange="nestedCheckbox_change(event)" id="cb_fileType_All"></input>
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<label for="cb_fileType_All"> All</label>
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</li>
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<ul class="nestedCbList" id="cb_exVertKindList">
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</p>
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<div style="display: inline-block;">
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<label for="DOI_select" class="required">Sets</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="DOI_select" required name="DOI" onchange="reloadNextSelect(event)"></select>
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</div>
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<div style="display:inline-block">
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<label for="mol_select" class="required">Molecules</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="mol_select" required name="molecule" onchange="reloadNextSelect(event)"></select>
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</div>
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<br />
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<div style="display: inline-block;">
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<label for="method_select" class="required">Methods</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="method_select" required name="method" onchange="reloadNextSelect(event)"></select>
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</div>
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<div style="display: inline-block;">
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<label for="basis_select" class="required">Basis sets</label>
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<button class="SelectAll" type="button" onclick="selectSelectAll_click(event)">Select all</button>
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<select multiple id="basis_select" required name="basis" onchange="reloadNextSelect(event)"></select>
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</div>
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</fieldset>
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<fieldset>
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<legend class="required">Vertical excitation kind</legend>
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<p>Choose what kind of vertical excitations you want</p>
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<ul class="nestedCbList" style="padding-left: 0em;">
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<li>
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<input type="checkbox" onchange="nestedCheckbox_change(event)" id="cb_abs" value="1" name="datatype">
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<label for="cb_abs">Absorption</label>
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<input type="checkbox" data-onerequired="true" checked onchange="nestedCheckbox_change(event)"
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id="cb_fileType_All"></input>
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<label for="cb_fileType_All"> All</label>
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</li>
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<ul class="nestedCbList" id="cb_exVertKindList">
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<li>
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<input type="checkbox" onchange="nestedCheckbox_change(event)" id="cb_abs" value="1" name="datatype">
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<label for="cb_abs">Absorption</label>
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</li>
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<li>
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<input type="checkbox" onchange="nestedCheckbox_change(event)" id="cb_fluo" value="2" name="datatype">
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<label for="fluo">Fluorescence</label>
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</li>
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</ul>
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</ul>
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</fieldset>
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<fieldset id="excitationFilter">
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<legend class="required">Filters</legend>
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<p>Choose other excitation parameters you want</p>
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<ul class="nestedCbList" style="padding-left: 0em;">
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<li>
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<input type="checkbox" onchange="nestedCheckbox_change(event)" id="cb_fluo" value="2" name="datatype">
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<label for="fluo">Fluorescence</label>
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<input type="checkbox" data-onerequired="true" onchange="nestedCheckbox_change(event)"
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id="cb_exType_All"></input>
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<label for="cb_exType_All"> All</label>
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</li>
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</ul>
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</ul>
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<ul id="cb_exTypeList" class="nestedCbList">
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</ul>
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<p>Choose if you want to include unsafe values in statistics</p>
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<li id="li_cb_unsafe">
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<input type="checkbox" id="cb_unsafe" name="unsafe">
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<label for="cb_unsafe">Unsafe</label>
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</li>
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</fieldset>
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<fieldset>
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<legend>\(\mathrm{\%T_1}\)</legend>
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<p>Chose the range of \(\mathrm{\%T_1}\) range using the two number box</p>
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<input class="range min" airia-label="Minimum value" type="number" id="T1min" onchange="numberRangeChange(event)"
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min="0" value="0">
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<span>\(\leq \mathrm{\%T_1} \leq\)</span>
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<input class="range max" airia-label="Maximum value" type="number" id="T1max" onchange="numberRangeChange(event)"
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max="100" value="100">
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</fieldset>
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</fieldset>
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<fieldset id="excitationFilter">
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<legend class="required">Filters</legend>
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<p>Choose other excitation parameters you want</p>
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<ul class="nestedCbList" style="padding-left: 0em;">
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<li>
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<input type="checkbox" data-onerequired="true" onchange="nestedCheckbox_change(event)" id="cb_exType_All"></input>
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<label for="cb_exType_All"> All</label>
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</li>
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<ul id="cb_exTypeList" class="nestedCbList">
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</ul>
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<p>Choose if you want to include unsafe values in statistics</p>
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<li id="li_cb_unsafe">
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<input type="checkbox" id="cb_unsafe" name="unsafe">
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<label for="cb_unsafe">Unsafe</label>
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</li>
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</fieldset>
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<fieldset>
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<legend>\(\mathrm{\%T_1}\)</legend>
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<p>Chose the range of \(\mathrm{\%T_1}\) range using the two number box</p>
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<input class="range min" airia-label="Minimum value" type="number" id="T1min"
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onchange="numberRangeChange(event)" min="0" value="0">
|
||||
<span>\(\leq \mathrm{\%T_1} \leq\)</span>
|
||||
<input class="range max" airia-label="Maximum value" type="number" id="T1max"
|
||||
onchange="numberRangeChange(event)" max="100" value="100">
|
||||
</fieldset>
|
||||
</fieldset>
|
||||
<input type="submit" value="Load"></input>
|
||||
</form>
|
||||
<form id="form_ref">
|
||||
<fieldset class="main">
|
||||
<fieldset>
|
||||
<legend>statistics</legend>
|
||||
<p>Select a reference from <strong>already selected data</strong> (by default first is selected -it's the <abbr
|
||||
title="Theoretical best estimate">TBE</abbr> if present- is already selected)</p>
|
||||
<label for="sel_ref">Reference</label>
|
||||
<select id="sel_ref" onchange="reloadStat()"></select>
|
||||
</fieldset>
|
||||
</fieldset>
|
||||
<fieldset>
|
||||
<legend>statistics</legend>
|
||||
<p>Select a reference from <strong>already selected data</strong> (by default first is selected -it's the <abbr
|
||||
title="Theoretical best estimate">TBE</abbr> if present- is already selected)</p>
|
||||
<label for="sel_ref">Reference</label>
|
||||
<select id="sel_ref" onchange="reloadStat()"></select>
|
||||
</fieldset>
|
||||
</fieldset>
|
||||
</form>
|
||||
<p>Now you can see the list of selected data and some statistics about these data</p>
|
||||
<section id="data">
|
||||
|
||||
@ -15,6 +15,7 @@ draft: false
|
||||
<script src="/js/numberUtils.js"></script>
|
||||
<script src="/js/DebugMode.js"></script>
|
||||
<script src="/js/createPubliUI.js"></script>
|
||||
<script src="/js/PubliDB.js"></script>
|
||||
{{< getDataFilesName >}}
|
||||
<script>
|
||||
window.onload = async function () {
|
||||
@ -22,30 +23,37 @@ draft: false
|
||||
const Cite = require("citation-js")
|
||||
const sdois = uniq(Object.values(await loadAllData()).flat().filter(d => d.DOI !== null).map(d => d.DOI.string))
|
||||
const spubliscite = await Cite.async(sdois)
|
||||
const pubs = await getPublis()
|
||||
const uospublis = spubliscite.format('data', { format: 'object' })
|
||||
const spublis = uospublis.sort((puba,pubb)=>pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb))
|
||||
const spublis = uospublis.sort((puba, pubb) => pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb))
|
||||
var myDB = await publiDB.loadAsync()
|
||||
for (const publi of spublis) {
|
||||
art= await createPubliUI(publi,pubs.sets,true,true)
|
||||
$(art).appendTo("#publis_sets")
|
||||
var art = await createPubliUI(publi, true, true)
|
||||
var setName = myDB.findSetNameFromDOI(publi.DOI, true)
|
||||
setsSec = $('#publis_sets')
|
||||
var mySetSec = setsSec.find(`section.publiSet[data-setName="${setName}"]`)
|
||||
if (mySetSec.length === 0) {
|
||||
mySetSec = $('<section>').addClass('publiSet').attr("data-setName", setName).appendTo(setsSec)
|
||||
$("<h1>").text(setName).appendTo(mySetSec)
|
||||
}
|
||||
$(art).appendTo(mySetSec)
|
||||
}
|
||||
const odois=Array.from(pubs.others.keys())
|
||||
const odois = myDB.others
|
||||
const opubliscite = await Cite.async(odois)
|
||||
const uoopublis = opubliscite.format('data', { format: 'object' })
|
||||
const opublis = uoopublis.sort((puba,pubb)=>pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb))
|
||||
const opublis = uoopublis.sort((puba, pubb) => pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb))
|
||||
for (const publi of opublis) {
|
||||
art= await createPubliUI(publi,pubs.others,true,true)
|
||||
art = await createPubliUI(publi, true, true)
|
||||
$(art).appendTo("#publis_others")
|
||||
}
|
||||
}
|
||||
</script>
|
||||
<section class="publis-list" id="publis_sets">
|
||||
<header>
|
||||
<h2>Sets</h2>
|
||||
<h1>Sets</h2>
|
||||
</header>
|
||||
</section>
|
||||
<section class="publis" id="publis_others">
|
||||
<header>
|
||||
<h2>Others</h2>
|
||||
<h1>Others</h2>
|
||||
</header>
|
||||
</section>
|
||||
@ -1,7 +1,8 @@
|
||||
.publi h1 {
|
||||
font-size: 22pt
|
||||
.publiSet h1 {
|
||||
font-size: 22PT;
|
||||
}
|
||||
.publi h2 {
|
||||
|
||||
.publi h1 {
|
||||
font-size: 20pt
|
||||
}
|
||||
|
||||
|
||||
@ -1,7 +1,11 @@
|
||||
sets:
|
||||
10.1021/acs.jctc.8b00406 : QUEST#1
|
||||
10.1021/acs.jctc.8b01205 : QUEST#2
|
||||
10.1021/acs.jctc.9b01216 : QUEST#3
|
||||
10.1021/acs.jctc.0c00227 : QUEST#4
|
||||
QUEST#1:
|
||||
- 10.1021/acs.jctc.8b00406
|
||||
QUEST#2:
|
||||
- 10.1021/acs.jctc.8b01205
|
||||
QUEST#3:
|
||||
- 10.1021/acs.jctc.9b01216
|
||||
QUEST#4:
|
||||
- 10.1021/acs.jctc.0c00227
|
||||
others:
|
||||
10.1021/acs.jpclett.0c00014 :
|
||||
- 10.1021/acs.jpclett.0c00014
|
||||
|
||||
34
static/js/PubliDB.js
Normal file
34
static/js/PubliDB.js
Normal file
@ -0,0 +1,34 @@
|
||||
class publiDB {
|
||||
static async loadAsync() {
|
||||
var db = new publiDB
|
||||
const text = await getTextFromFileUrlAsync("/data/publis/index.yaml")
|
||||
const myYaml = jsyaml.load(text);
|
||||
db.sets = ((myYaml.sets === null) ? new Map() : new Map(Object.entries(myYaml.sets)));
|
||||
db.others = ((myYaml.others === null) ? new Map() : new Map(Object.entries(myYaml.others)));
|
||||
return db
|
||||
}
|
||||
static get UnknowSetName() {
|
||||
return "Unknow set"
|
||||
}
|
||||
findNameFromSet(set, supportUnknow = false) {
|
||||
if (supportUnknow && JSON.stringify(set) === JSON.stringify([""])) {
|
||||
return publiDB.UnknowSetName
|
||||
}
|
||||
for (let [setname, dois] of this.sets.entries()) {
|
||||
if (JSON.stringify(set.sort()) === JSON.stringify(dois.sort())) {
|
||||
return setname
|
||||
}
|
||||
}
|
||||
return null
|
||||
}
|
||||
findSetNameFromDOI(doi, supportUnknow = false) {
|
||||
for (let [setname, dois] of this.sets.entries()) {
|
||||
if (dois.includes(doi))
|
||||
return setname
|
||||
}
|
||||
if (supportUnknow && doi === "") {
|
||||
return UnknowSetName
|
||||
}
|
||||
return null
|
||||
}
|
||||
}
|
||||
@ -2,16 +2,13 @@ function getPubliSubDir(DOI) {
|
||||
return DOI.split(".").join("/")
|
||||
}
|
||||
|
||||
async function createPubliUI(publi,sets=new Map(),toolTips=false,abstract=false) {
|
||||
async function createPubliUI(publi,toolTips=false,abstract=false) {
|
||||
const art = $("<article/>").addClass("publi")
|
||||
art.className = "publi"
|
||||
if (sets.has(publi.DOI) && sets.get(publi.DOI)!==null) {
|
||||
$("<header/>").append($("<h1/>").text(sets.get(publi.DOI))).appendTo(art)
|
||||
}
|
||||
$("<a/>", {
|
||||
href: publi.URL,
|
||||
target: "_blank"
|
||||
}).html($("<h2/>").text(publi.title)).appendTo(art)
|
||||
}).html($("<h1/>").text(publi.title)).appendTo(art)
|
||||
const authors = publi.author
|
||||
const ulauthors = $("<ul/>").addClass("authors-list").appendTo(art)
|
||||
for (const author of authors) {
|
||||
|
||||
Loading…
Reference in New Issue
Block a user