From 8224f76d4e0dbc5fb3726cb773eb36984d963841 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Tue, 14 Apr 2020 15:59:05 +0200 Subject: [PATCH] Fix indentation --- content/multipledataset.html | 227 ++++++++++++++++++----------------- 1 file changed, 115 insertions(+), 112 deletions(-) diff --git a/content/multipledataset.html b/content/multipledataset.html index 6339d4fb..34f0843e 100644 --- a/content/multipledataset.html +++ b/content/multipledataset.html @@ -77,9 +77,9 @@ draft: false $("
  • ").text(name).appendTo(vertkindtl) } for (const [name, value] of excitationTypes.All) { - var txt=value.description.string + var txt = value.description.string if (value.description.isLaTeX) { - txt=LatexInline[0]+txt+LatexInline[1] + txt = LatexInline[0] + txt + LatexInline[1] } $("
  • ").text(txt).appendTo(extl) var cbli = $("
  • ") @@ -108,8 +108,8 @@ draft: false for (mol of uniq(subdoi.map(d => d.molecule))) { const submol = subdoi.filter(d => d.molecule === mol) const source = submol.find((d) => { - if (d.DOI.string==="10.1021/acs.jctc.8b01205") { - return d.method.name==="CASPT2" && d.method.basis==="aug-cc-pVDZ" + if (d.DOI.string === "10.1021/acs.jctc.8b01205") { + return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ" } else { return d.method.isTBE } @@ -192,13 +192,13 @@ draft: false return $(el).val().includes(getSelectValue(d, el.name)) }) }).map((d) => getSelectValue(d, name))) - const sets = await (async ()=>{ - if(name === "DOI"){ - const publis=await getPublis() - const sets=publis.sets + const sets = await (async () => { + if (name === "DOI") { + const publis = await getPublis() + const sets = publis.sets return sets } - else{ + else { return undefined } })() @@ -237,60 +237,60 @@ draft: false if (!(sdatdic.has(key))) { sdatdic.set(key, new Map()) } - const myT1s=T1ref.get(d.DOI.string).get(d.molecule) + const myT1s = T1ref.get(d.DOI.string).get(d.molecule) for (const exc of d.excitations) { - var allowT1=false - const T1Key=JSON.stringify((exc.initial,exc.final)) - const T1range=filterParams.T1 - if (T1range.min===0 && T1range.max===100) { - allowT1=true + var allowT1 = false + const T1Key = JSON.stringify((exc.initial, exc.final)) + const T1range = filterParams.T1 + if (T1range.min === 0 && T1range.max === 100) { + allowT1 = true } else if (myT1s.has(T1Key)) { - const T1Val=myT1s.get(T1Key) - if (T1range.min<=T1Val && T1Val<=T1range.max) { - allowT1=true + const T1Val = myT1s.get(T1Key) + if (T1range.min <= T1Val && T1Val <= T1range.max) { + allowT1 = true } } const key2 = JSON.stringify([d.molecule, exc.initial, exc.final, exc.cVertExcitationKind]) const keydic = sdatdic.get(key) if ((!exc.isUnsafe || window.filterParams.unsafe) && ((exc.type & window.filterParams.exType) !== 0) && ((exc.VertExcitationKind & window.filterParams.exVertKind) !== 0) && allowT1) { if (!(keydic.has(key2))) { - keydic.set(key2,exc.value) + keydic.set(key2, exc.value) } } } } if (combbasis) { - var sdatdic2=new Map() - for (const [strkey, sdat] of sdatdic) { - if (refstr===strkey) { - sdatdic2.set(strkey,sdatdic.get(strkey)) + var sdatdic2 = new Map() + for (const [strkey, sdat] of sdatdic) { + if (refstr === strkey) { + sdatdic2.set(strkey, sdatdic.get(strkey)) } else { - const key=JSON.parse(strkey) - const newkey=JSON.stringify([key[0].name,key[1]]) - const newkeybasis=JSON.stringify(key[0].basis) + const key = JSON.parse(strkey) + const newkey = JSON.stringify([key[0].name, key[1]]) + const newkeybasis = JSON.stringify(key[0].basis) if (!sdatdic2.has(newkey)) { - sdatdic2.set(newkey,new Map()) + sdatdic2.set(newkey, new Map()) } if (!sdatdic2.get(newkey).has(newkeybasis)) { - sdatdic2.get(newkey).set(newkeybasis,new Map()) + sdatdic2.get(newkey).set(newkeybasis, new Map()) } - for (const [strkey2,exval] of sdat) { - sdatdic2.get(newkey).get(newkeybasis).set(strkey2,exval) + for (const [strkey2, exval] of sdat) { + sdatdic2.get(newkey).get(newkeybasis).set(strkey2, exval) } } } - sdatdic=sdatdic2 + sdatdic = sdatdic2 } var sdic = new Map() for (const [key, sdat] of sdatdic) { - if (key!==refstr) { + if (key !== refstr) { if (!(sdic.has(key))) { sdic.set(key, []) } if (combbasis) { for (const [key2, dic] of sdat) { - for(const [key3,exval] of dic){ + for (const [key3, exval] of dic) { sdic.get(key).push(exval - ((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key3) : NaN)) } } @@ -306,7 +306,7 @@ draft: false row = $("") key = JSON.parse(keystr) if (!combbasis) { - Reflect.setPrototypeOf(key[0], method.prototype) + Reflect.setPrototypeOf(key[0], method.prototype) } //Reflect.setPrototypeOf(key[1], DOI.prototype) th = $("", { scope: "column" }) @@ -315,7 +315,7 @@ draft: false var thdoi = th.clone() var publi = doiCache.get(doi, true) const publis = await getPublis() - const sets=publis.sets + const sets = publis.sets if (sets.has(doi)) { var str = sets.get(doi) $(thdoi).append(str + " ") @@ -327,60 +327,61 @@ draft: false format: 'html', lang: 'en-US' })).appendTo(thdoi) - $(row).append(thdoi) - const noNanVals = (vals.every((v) => Number.isNaN(v))) ? vals : (vals.filter((v) => !Number.isNaN(v))) - const avals = noNanVals.map(v => Math.abs(v)) - th.clone().text(noNanVals.length).appendTo(row) - 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)]) { - $("").text(noNanFixed(val, 2)).appendTo(row) - } - $(stb).append(row) - var box = { - x: noNanVals, - amean: ss.mean(avals).toFixed(3), - name: key[0].toString() + " MAD : " + ss.mean(avals).toPrecision(4), - type: 'box', - boxmean: 'sd' - }; - graphdat.push(box) - } - var layout = { - paper_bgcolor: 'rgba(0,0,0,0)', - plot_bgcolor: 'rgba(0,0,0,0)', - gap: 0, - legend: { - traceorder: 'reversed', - }, - xaxis: { - title: { - text: 'Energy (eV)', + $(row).append(thdoi) + const noNanVals = (vals.every((v) => Number.isNaN(v))) ? vals : (vals.filter((v) => !Number.isNaN(v))) + const avals = noNanVals.map(v => Math.abs(v)) + th.clone().text(noNanVals.length).appendTo(row) + 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)]) { + $("").text(noNanFixed(val, 2)).appendTo(row) } - }, - bgcolor: '#E2E2E2', - bordercolor: '#FFFFFF', - borderwidth: 2, - // autosize: false, - width: 850, - height: 500, - margin: { - l: 0, - r: 10, - b: 15, - t: 20, - pad: 0, - }, - } - Plotly.newPlot('graph_div', graphdat, layout); - processingIndicator.isActive = false + $(stb).append(row) + var box = { + x: noNanVals, + amean: ss.mean(avals).toFixed(3), + name: key[0].toString() + " MAD : " + ss.mean(avals).toPrecision(4), + type: 'box', + boxmean: 'sd' + }; + graphdat.push(box) + } + var layout = { + paper_bgcolor: 'rgba(0,0,0,0)', + plot_bgcolor: 'rgba(0,0,0,0)', + gap: 0, + legend: { + traceorder: 'reversed', + }, + xaxis: { + title: { + text: 'Energy (eV)', + } + }, + bgcolor: '#E2E2E2', + bordercolor: '#FFFFFF', + borderwidth: 2, + // autosize: false, + width: 850, + height: 500, + margin: { + l: 0, + r: 10, + b: 15, + t: 20, + pad: 0, + }, + } + Plotly.newPlot('graph_div', graphdat, layout); + processingIndicator.isActive = false } async function reloadContent() { - window.filterParams = {unsafe:$("#cb_unsafe").prop("checked"), - exType:Array.from(Array.from($("#cb_exTypeList>li>input[type=checkbox]:checked")).map(el => parseInt(el.value))).reduce((pv, cv) => pv + cv, 0), - exVertKind:Array.from(Array.from($("#cb_exVertKindList>li>input[type=checkbox]:checked")).map(el => parseInt(el.value))).reduce((pv, cv) => pv + cv, 0), - T1:{ - min:parseFloat($("#T1min").val()), - max:parseFloat($("#T1max").val()) - } + window.filterParams = { + unsafe: $("#cb_unsafe").prop("checked"), + exType: Array.from(Array.from($("#cb_exTypeList>li>input[type=checkbox]:checked")).map(el => parseInt(el.value))).reduce((pv, cv) => pv + cv, 0), + exVertKind: Array.from(Array.from($("#cb_exVertKindList>li>input[type=checkbox]:checked")).map(el => parseInt(el.value))).reduce((pv, cv) => pv + cv, 0), + T1: { + min: parseFloat($("#T1min").val()), + max: parseFloat($("#T1max").val()) + } } doiCache.clear() processingIndicator.isActive = true @@ -397,23 +398,23 @@ draft: false delete (val) }) }) - window.T1ref=new Map() + window.T1ref = new Map() var dois = new Set(window.filtData.map((d) => d.DOI.string)) var mols = new Set(window.filtData.map((d) => d.molecule)) await window.doiCache.addRange(dois) for (const doi of dois) { - window.T1ref.set(doi,new Map()) + window.T1ref.set(doi, new Map()) for (const mol of mols) { - window.T1ref.get(doi).set(mol,new Map()) - var TBESortdat=window.dats.filter(d=>d.DOI.string===doi && d.molecule===mol).sort((d1,d2)=>{ + window.T1ref.get(doi).set(mol, new Map()) + var TBESortdat = window.dats.filter(d => d.DOI.string === doi && d.molecule === mol).sort((d1, d2) => { if (d1.method.isTBE && !d2.method.isTBE) { return -1 - } else if(!d1.method.isTBE && d2.method.isTBE) { + } else if (!d1.method.isTBE && d2.method.isTBE) { return 1 } else if (d1.method.isTBE && d2.method.isTBE) { - if (d1.method.name==="TBE(FC)" && d2.method.name==="TBE") { + if (d1.method.name === "TBE(FC)" && d2.method.name === "TBE") { return -1 - } else if(d1.method.name==="TBE" && d2.method.name==="TBE(FC)") { + } else if (d1.method.name === "TBE" && d2.method.name === "TBE(FC)") { return 1 } else { @@ -421,9 +422,9 @@ draft: false } } }) - if (TBESortdat.length>0 && TBESortdat[0].method.isTBE) { + if (TBESortdat.length > 0 && TBESortdat[0].method.isTBE) { for (const exc of TBESortdat[0].excitations) { - window.T1ref.get(doi).get(mol).set(JSON.stringify((exc.initial,exc.final)),exc.T1) + window.T1ref.get(doi).get(mol).set(JSON.stringify((exc.initial, exc.final)), exc.T1) } } } @@ -442,7 +443,7 @@ draft: false return -1 } else if (a.isTBE && b.isTBE) { - if (a.basis!=="CBS" && b.basis==="CBS") { + if (a.basis !== "CBS" && b.basis === "CBS") { return -1 } else { @@ -469,22 +470,22 @@ draft: false datadic = new Map() for (const dat of paperdata) { const key1 = dat.molecule; - const myT1s=T1ref.get(dat.DOI.string).get(dat.molecule) + const myT1s = T1ref.get(dat.DOI.string).get(dat.molecule) if (!datadic.has(key1)) { datadic.set(key1, new Map()) } const key3 = JSON.stringify(dat.method) for (const ex of dat.excitations) { Reflect.setPrototypeOf(ex.type, excitationType.prototype) - var allowT1=false - const T1Key=JSON.stringify((ex.initial,ex.final)) - const T1range=filterParams.T1 - if (T1range.min===0 && T1range.max===100) { - allowT1=true + var allowT1 = false + const T1Key = JSON.stringify((ex.initial, ex.final)) + const T1range = filterParams.T1 + if (T1range.min === 0 && T1range.max === 100) { + allowT1 = true } else if (myT1s.has(T1Key)) { - const T1Val=myT1s.get(T1Key) - if (T1range.min<=T1Val && T1Val<=T1range.max) { - allowT1=true + const T1Val = myT1s.get(T1Key) + if (T1range.min <= T1Val && T1Val <= T1range.max) { + allowT1 = true } } if (((window.filterParams.exType & ex.type) !== 0) && ((window.filterParams.exVertKind & ex.VertExcitationKind) !== 0) && allowT1) { @@ -513,8 +514,8 @@ draft: false if (ex[3].Value == VertExcitationKinds.Fluorescence.Value) { Vertkindtext = String.raw`[\mathrm{F}]` } - if(ex[2].description.string){ - desctex="("+ex[2].description.string+")" + if (ex[2].description.string) { + desctex = "(" + ex[2].description.string + ")" } $("", { scope: "rowgroup" }).text(String.raw`${LatexInline[0]}${ex[0].toLaTeX()} \rightarrow ${ex[1].toLaTeX()} ${Vertkindtext} ${desctex} ${LatexInline[1]}`).appendTo(tr) var entries = Array.from(exdat.entries()) @@ -545,10 +546,10 @@ draft: false } await reloadRef() } - async function reloadRef(){ + async function reloadRef() { const combbasis = $("#cb_combbasis").is(':checked') $(sel_ref).empty() - for (const el of uniq(window.filtData.map(d =>[d.method, d.DOI.string]))) { + for (const el of uniq(window.filtData.map(d => [d.method, d.DOI.string]))) { op = $("
  • Now you can see the list of selected data and some statistics about these data
    • @@ -678,9 +679,11 @@ draft: false
    %T1 - + \(\leq \mathrm{\%T1} \leq\) - +