mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-07-03 18:06:06 +02:00
replace forEach with for of when it's relevant
This commit is contained in:
parent
73abfb7371
commit
f27fcf013e
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@ -19,12 +19,12 @@ draft: false
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window.dats=await loadAllData()
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window.data=new CombinedData()
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molecules=new Set(Object.values(window.dats).flat().map((d)=>d.molecule))
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molecules.forEach(el=>{
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for (const el of molecules) {
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op=document.createElement("option")
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op.value=el
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op.innerText=el
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document.getElementById("select_mol").appendChild(op)
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})
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}
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}
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function select_mol_onchange(event){
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update_mol(event.target.value)
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@ -39,20 +39,20 @@ draft: false
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update_ZPE(window.dats["ZPE"][event.target.value])
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}
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async function update_mol(molecule){
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Object.keys(window.dats).forEach((key)=>{
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for (const [key,dat] of Object.entries(window.dats)) {
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var s=document.getElementById(String.raw`select_${key}`)
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while (s.options[s.options.length-1].value!= "") {
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s.options.remove(s.options[s.options.length-1])
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}
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window.dats[key].forEach(val=>{
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dat.forEach((val,index)=>{
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if(val.molecule==molecule){
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var op=document.createElement("option")
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op.value=window.dats[key].indexOf(val)
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op.value=index
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op.innerText=val.method.toString()
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s.appendChild(op)
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}
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})
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})
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}
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}
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async function update_abs(abs){
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window.data.Abs=abs
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@ -91,7 +91,7 @@ draft: false
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}
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div=document.getElementById("meta_div")
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div.innerHTML=""
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for (element of md) {
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for (const element of md) {
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var node =null;
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switch (trueTypeOf(element)) {
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case "string":
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@ -123,19 +123,19 @@ draft: false
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}
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var tb=document.getElementById("ex_table_b");
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tb.innerHTML=''
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window.data.excitations.forEach(el=> {
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for (const el of window.data.excitations) {
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var row=document.createElement("tr")
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var rowd=[]
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rowd.push(String.raw`${LatexInline[0]} ${el.initial.toLaTeX()} \rightarrow ${el.final.toLaTeX()}${LatexInline[1]}`)
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var e=[el.Eabs,el.Efluo,el.EZPE,el.Eadia,el.Ezz]
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e.forEach((val)=>rowd.push(noNanPrecision(val,3)))
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rowd.forEach((d)=>{
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for(d of rowd) {
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td=document.createElement("td")
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td.innerText=d
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row.appendChild(td)
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})
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}
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tb.appendChild(row)
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});
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}
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await MathJax.typesetPromise();
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document.getElementById("ex_div").hidden=false
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var plotdat = [{
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@ -1,200 +1,198 @@
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class code {
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constructor(name,version){
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this.name=name;
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this.version=version;
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constructor(name, version) {
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this.name = name;
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this.version = version;
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};
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toString() {
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var str=this.name;
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toString() {
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var str = this.name;
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if (this.version) {
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str=str+' ('+this.version+')';
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str = str + ' (' + this.version + ')';
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}
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return str;
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}
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static fromString(str) {
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var vals=str.split(",")
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if(vals.length>=2){
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return new code(vals[0],vals[1]);
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var vals = str.split(",")
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if (vals.length >= 2) {
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return new code(vals[0], vals[1]);
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} else {
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return new code(vals[0],null);
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return new code(vals[0], null);
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}
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}
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}
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class method {
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constructor(name,basis){
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this.name=name;
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this.basis=basis;
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constructor(name, basis) {
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this.name = name;
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this.basis = basis;
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}
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static fromString(str) {
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var vals=str.split(",")
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if(vals.length==2){
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return new method(vals[0],vals[1]);
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var vals = str.split(",")
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if (vals.length == 2) {
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return new method(vals[0], vals[1]);
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}
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else{
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return new method(vals[0],null)
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else {
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return new method(vals[0], null)
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}
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}
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toString() {
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var str=this.name;
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toString() {
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var str = this.name;
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if (this.name) {
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str=str+'/'+this.basis;
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str = str + '/' + this.basis;
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}
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return str;
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}
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}
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class state{
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constructor(number,multiplicity,symetry){
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this.number=number;
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this.multiplicity=multiplicity;
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this.symetry=symetry;
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class state {
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constructor(number, multiplicity, symetry) {
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this.number = number;
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this.multiplicity = multiplicity;
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this.symetry = symetry;
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};
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toString() {
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var str=this.number+ ' ^'+this.multiplicity+this.symetry;
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toString() {
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var str = this.number + ' ^' + this.multiplicity + this.symetry;
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return str;
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};
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toLaTeX() {
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var tex= String.raw`${this.number}\:\vphantom{\mathrm{${this.symetry.charAt(0)}}}^{${this.multiplicity}}\mathrm{${this.symetry}}`;
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var tex = String.raw`${this.number}\:\vphantom{\mathrm{${this.symetry.charAt(0)}}}^{${this.multiplicity}}\mathrm{${this.symetry}}`;
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return tex;
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};
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}
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class doi{
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constructor(doistring){
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this.string=doistring
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class doi {
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constructor(doistring) {
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this.string = doistring
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};
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toString() {
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toString() {
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return this.string;
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};
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get url() {
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return 'https://doi.org/'+this.string;
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return 'https://doi.org/' + this.string;
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};
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}
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class excitationBase{
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constructor(initial,final){
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this.initial=initial;
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this.final=final
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class excitationBase {
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constructor(initial, final) {
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this.initial = initial;
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this.final = final
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}
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}
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class excitationValue extends excitationBase{
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constructor(initial,final,value){
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super(initial,final)
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this.value=value
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class excitationValue extends excitationBase {
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constructor(initial, final, value) {
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super(initial, final)
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this.value = value
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}
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}
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class excitation extends excitationBase{
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constructor(initial,final,Eabs,Efluo,EZPE){
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super(initial,final)
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this.Eabs=Eabs
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this.Efluo=Efluo
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this.EZPE=EZPE
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class excitation extends excitationBase {
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constructor(initial, final, Eabs, Efluo, EZPE) {
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super(initial, final)
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this.Eabs = Eabs
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this.Efluo = Efluo
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this.EZPE = EZPE
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}
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get Eadia() {
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return (this.Eabs+this.Efluo)/2
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}
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return (this.Eabs + this.Efluo) / 2
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}
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get Ezz() {
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return this.Eadia-this.EZPE
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return this.Eadia - this.EZPE
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}
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toString() {
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return this.start+ ', ' + this.end +', '+ noNanPrecision(this.Eabs,3);
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return this.start + ', ' + this.end + ', ' + noNanPrecision(this.Eabs, 3);
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}
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}
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class dataFileBase {
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constructor(){
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this.molecule=''
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this.comment=null
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this.code=null
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this.method=null
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this.excitations=[]
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this.DOI=null
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constructor() {
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this.molecule = ''
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this.comment = null
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this.code = null
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this.method = null
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this.excitations = []
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this.DOI = null
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}
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static async loadAsync(file) {
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return this.loadString(await getTextFromFileAsync(getFullDataPath(file)));
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return this.loadString(await getTextFromFileAsync(getFullDataPath(file)));
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}
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static readmetaPair(key, value,dat){
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switch(key) {
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static readmetaPair(key, value, dat) {
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switch (key) {
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case "molecule":
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dat.molecule=value
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dat.molecule = value
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break;
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case "comment":
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dat.comment=value
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dat.comment = value
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break;
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case "code":
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dat.code=code.fromString(value)
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dat.code = code.fromString(value)
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break;
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case "method":
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dat.method=method.fromString(value)
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break;
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dat.method = method.fromString(value)
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break;
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case "doi":
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dat.DOI=new doi(value);
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dat.DOI = new doi(value);
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break;
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default:
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}
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}
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static loadString(text) {
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// for each line with metadata
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var ismetaArea=true;
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var ismetaArea = true;
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//metadata RegExp (start with #; maybe somme spaces; : ; maybe somme space; datas)
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var meta=/^#\s*([A-Za-z_]+)\s*:\s*(.*)$/;
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var classname=this.name
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var dat=eval(String.raw`new ${this.name}()`)
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function readmeta(line){
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var meta = /^#\s*([A-Za-z_]+)\s*:\s*(.*)$/;
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var classname = this.name
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var dat = eval(String.raw`new ${this.name}()`)
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function readmeta(line) {
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// get key value
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var match=line.match(meta)
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var match = line.match(meta)
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// normalize key to lower
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var key=match[1].toLowerCase()
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var key = match[1].toLowerCase()
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//if data has value
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if(match.length==3 && match[2]) {
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var val=match[2]
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if (match.length == 3 && match[2]) {
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var val = match[2]
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eval(String.raw`${classname}.readmetaPair(key,val,dat)`)
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}
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}
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function readrow(line){
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var vals=line.split(/\s+/);
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while (vals.length<8){
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function readrow(line) {
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var vals = line.split(/\s+/);
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while (vals.length < 8) {
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vals.push(null);
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}
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var start=new state(parseInt(vals[0],10),parseInt(vals[1],10),vals[2]);
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var end=new state(parseInt(vals[3],10),vals[4],vals[5]);
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var ex= new excitationValue(start,end,parseFloat(vals[6],10));
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var start = new state(parseInt(vals[0], 10), parseInt(vals[1], 10), vals[2]);
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var end = new state(parseInt(vals[3], 10), vals[4], vals[5]);
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var ex = new excitationValue(start, end, parseFloat(vals[6], 10));
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dat.excitations.push(ex);
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};
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text.split("\n").forEach(function(line) {
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for (var line of text.split("\n")) {
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//if it's not empty line
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line=line.trim();
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if (line){
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line = line.trim();
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if (line) {
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//if # may be metadata or comment
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if (line.charAt(0)=="#") {
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if (line.charAt(0) == "#") {
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//if it's metadata
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if(ismetaArea && meta.test(line)) {
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if (ismetaArea && meta.test(line)) {
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readmeta(line);
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}
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}
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} else { //else its row
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ismetaArea=false;
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ismetaArea = false;
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readrow(line);
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}
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}
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});
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}
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return dat
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}
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}
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class oneStateDataFile extends dataFileBase {
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constructor(){
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constructor() {
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super()
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this.geometry=null
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this.geometry = null
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}
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static readmetaPair(key,value,dat)
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{
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if(key=="geom")
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{
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dat.geometry=method.fromString(value)
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static readmetaPair(key, value, dat) {
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if (key == "geom") {
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dat.geometry = method.fromString(value)
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}
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else{
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dataFileBase.readmetaPair(key,value,dat)
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else {
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dataFileBase.readmetaPair(key, value, dat)
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}
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}
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}
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@ -204,83 +202,83 @@ class AbsDataFile extends oneStateDataFile {
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class FluoDataFile extends oneStateDataFile {
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}
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class twoStateDataFileBase extends dataFileBase{
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constructor(){
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class twoStateDataFileBase extends dataFileBase {
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constructor() {
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super()
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this.GS=null
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this.ES=null
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this.GS = null
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this.ES = null
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}
|
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static readmetaPair(key,value,dat){
|
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switch(key) {
|
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static readmetaPair(key, value, dat) {
|
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switch (key) {
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case "gs":
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dat.GS=method.fromString(value)
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dat.GS = method.fromString(value)
|
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break;
|
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case "es":
|
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dat.ES=method.fromString(value)
|
||||
dat.ES = method.fromString(value)
|
||||
break;
|
||||
default:
|
||||
dataFileBase.readmetaPair(key,value,dat)
|
||||
default:
|
||||
dataFileBase.readmetaPair(key, value, dat)
|
||||
}
|
||||
}
|
||||
}
|
||||
class ZPEDataFile extends twoStateDataFileBase {
|
||||
|
||||
|
||||
}
|
||||
class CombinedData{
|
||||
constructor(){
|
||||
this.Abs=null
|
||||
this.Fluo=null
|
||||
this.ZPE=null
|
||||
class CombinedData {
|
||||
constructor() {
|
||||
this.Abs = null
|
||||
this.Fluo = null
|
||||
this.ZPE = null
|
||||
}
|
||||
get excitations() {
|
||||
var exs=[]
|
||||
var dic=new Map()
|
||||
if(this.Abs!=null){
|
||||
this.Abs.excitations.forEach((el)=>{
|
||||
var key=JSON.stringify([el.initial,el.final])
|
||||
if(!dic.has(key)){
|
||||
dic.set(key,{})
|
||||
var exs = []
|
||||
var dic = new Map()
|
||||
if (this.Abs != null) {
|
||||
for (const el of this.Abs.excitations) {
|
||||
var key = JSON.stringify([el.initial, el.final])
|
||||
if (!dic.has(key)) {
|
||||
dic.set(key, {})
|
||||
}
|
||||
dic.get(key)["abs"]=el.value
|
||||
})
|
||||
dic.get(key)["abs"] = el.value
|
||||
}
|
||||
if (this.Fluo != null) {
|
||||
for (const el of this.Fluo.excitations) {
|
||||
var key = JSON.stringify([el.initial, el.final])
|
||||
if (!dic.has(key)) {
|
||||
dic.set(key, {})
|
||||
}
|
||||
dic.get(key)["fluo"] = el.value
|
||||
}
|
||||
}
|
||||
if (this.ZPE != null) {
|
||||
for (const el of this.ZPE.excitations) {
|
||||
var key = JSON.stringify([el.initial, el.final])
|
||||
if (!dic.has(key)) {
|
||||
dic.set(key, {})
|
||||
}
|
||||
dic.get(key)["ZPE"] = el.value
|
||||
}
|
||||
}
|
||||
dic.forEach((value, key) => {
|
||||
var eabs = NaN
|
||||
var efluo = NaN
|
||||
var eZPE = NaN
|
||||
var mykey = JSON.parse(key)
|
||||
for (var el of mykey) {
|
||||
Reflect.setPrototypeOf(el, state.prototype)
|
||||
}
|
||||
if ("abs" in value) {
|
||||
eabs = value["abs"]
|
||||
}
|
||||
if ("fluo" in value) {
|
||||
efluo = value["fluo"]
|
||||
}
|
||||
if ("ZPE" in value) {
|
||||
eZPE = value["ZPE"]
|
||||
}
|
||||
exs.push(new excitation(mykey[0], mykey[1], eabs, efluo, eZPE))
|
||||
})
|
||||
return exs
|
||||
}
|
||||
}
|
||||
if(this.Fluo!=null){
|
||||
this.Fluo.excitations.forEach((el)=>{
|
||||
var key=JSON.stringify([el.initial,el.final])
|
||||
if(!dic.has(key)){
|
||||
dic.set(key,{})
|
||||
}
|
||||
dic.get(key)["fluo"]=el.value
|
||||
})
|
||||
}
|
||||
if(this.ZPE!=null){
|
||||
this.ZPE.excitations.forEach((el)=>{
|
||||
var key=JSON.stringify([el.initial,el.final])
|
||||
if(!dic.has(key)){
|
||||
dic.set(key,{})
|
||||
}
|
||||
dic.get(key)["ZPE"]=el.value
|
||||
})
|
||||
}
|
||||
dic.forEach((value,key)=>{
|
||||
var eabs=NaN
|
||||
var efluo=NaN
|
||||
var eZPE=NaN
|
||||
var mykey=JSON.parse(key)
|
||||
mykey.forEach(el=>{
|
||||
Reflect.setPrototypeOf(el,state.prototype)
|
||||
})
|
||||
if("abs" in value){
|
||||
eabs=value["abs"]
|
||||
}
|
||||
if("fluo" in value){
|
||||
efluo=value["fluo"]
|
||||
}
|
||||
if("ZPE" in value){
|
||||
eZPE=value["ZPE"]
|
||||
}
|
||||
exs.push(new excitation(mykey[0],mykey[1],eabs,efluo,eZPE))
|
||||
})
|
||||
return exs
|
||||
};
|
||||
}
|
||||
Loading…
Reference in New Issue
Block a user