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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 13:53:48 +01:00

Add combine basis sets option for statistics

This commit is contained in:
Mickaël Véril 2020-04-13 14:53:49 +02:00
parent 29df32215f
commit fd81ff3c21

View File

@ -220,10 +220,11 @@ draft: false
} }
async function reloadStat() { async function reloadStat() {
processingIndicator.isActive = true processingIndicator.isActive = true
const combbasis = $("#cb_combbasis").is(":checked")
const refstr = $("#sel_ref option:selected").val()
var stb = $("#stat_table > tbody") var stb = $("#stat_table > tbody")
$("#graph_div").empty() $("#graph_div").empty()
$(stb).empty() $(stb).empty()
var refstr = $("#sel_ref option:selected").val()
var sdatdic = new Map() var sdatdic = new Map()
for (const d of window.filtData) { for (const d of window.filtData) {
const key = JSON.stringify([d.method, d.DOI.string]) const key = JSON.stringify([d.method, d.DOI.string])
@ -252,21 +253,55 @@ draft: false
} }
} }
} }
if (combbasis) {
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)
if (!sdatdic2.has(newkey)) {
sdatdic2.set(newkey,new Map())
}
if (!sdatdic2.get(newkey).has(newkeybasis)) {
sdatdic2.get(newkey).set(newkeybasis,new Map())
}
for (const [strkey2,exval] of sdat) {
sdatdic2.get(newkey).get(newkeybasis).set(strkey2,exval)
}
}
}
sdatdic=sdatdic2
}
var sdic = new Map() var sdic = new Map()
for (const [key, sdat] of sdatdic) { for (const [key, sdat] of sdatdic) {
for (const [key2, exval] of sdat) { if (key!==refstr) {
if (!(sdic.has(key))) { if (!(sdic.has(key))) {
sdic.set(key, []) sdic.set(key, [])
} }
if (combbasis) {
for (const [key2, dic] of sdat) {
for(const [key3,exval] of dic){
sdic.get(key).push(exval - ((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key3) : NaN))
}
}
} else {
for (const [key2, exval] of sdat) {
sdic.get(key).push(exval - ((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key2) : NaN)) sdic.get(key).push(exval - ((sdatdic.has(refstr)) ? sdatdic.get(refstr).get(key2) : NaN))
} }
} }
sdic.delete(refstr) }
}
var graphdat = [] var graphdat = []
for (const [keystr, vals] of sdic) { for (const [keystr, vals] of sdic) {
row = $("<tr/>") row = $("<tr/>")
key = JSON.parse(keystr) key = JSON.parse(keystr)
if (!combbasis) {
Reflect.setPrototypeOf(key[0], method.prototype) Reflect.setPrototypeOf(key[0], method.prototype)
}
//Reflect.setPrototypeOf(key[1], DOI.prototype) //Reflect.setPrototypeOf(key[1], DOI.prototype)
th = $("<th/>", { scope: "column" }) th = $("<th/>", { scope: "column" })
const [meth, doi] = key const [meth, doi] = key
@ -387,19 +422,6 @@ draft: false
} }
} }
} }
$(sel_ref).empty()
for (const el of uniq(window.filtData.map(d => [d.method, d.DOI.string]))) {
op = $("<option/>", {
value: JSON.stringify(el)
}).text(el[0])
if (el[0].name.includes("TBE")) {
$(sel_ref).prepend(op)
}
else {
$(sel_ref).append(op)
}
}
$(sel_ref).prop("selectedIndex", 0);
var data = $("#data") var data = $("#data")
$(data).empty(); $(data).empty();
if (window.filtData.length > 0) { if (window.filtData.length > 0) {
@ -515,7 +537,24 @@ draft: false
} }
await MathJax.typesetPromise() await MathJax.typesetPromise()
} }
await reloadStat() await 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]))) {
op = $("<option/>", {
value: JSON.stringify(el)
}).text(el[0])
if (el[0].name.includes("TBE")) {
$(sel_ref).prepend(op)
}
else {
$(sel_ref).append(op)
}
}
$(sel_ref).prop("selectedIndex", 0);
$(sel_ref).trigger("change")
} }
async function submitdat() { async function submitdat() {
window.onbeforeunload = () => { return ''; } window.onbeforeunload = () => { return ''; }
@ -635,8 +674,15 @@ draft: false
<input type="submit" disabled=true value="Load"></input> <input type="submit" disabled=true value="Load"></input>
</form> </form>
<form id="form_ref"> <form id="form_ref">
<legend>Statistics</legend>
<div>
<input type="checkbox" id="cb_combbasis" onchange="reloadRef()">
<label for="cb_combbasis">Combine basis sets</label>
</div>
<div>
<label for="sel_ref">Reference</label> <label for="sel_ref">Reference</label>
<select id="sel_ref" onchange="reloadStat()"></select> <select id="sel_ref" onchange="reloadStat()"></select>
</div>
</form> </form>
<section id="data"> <section id="data">
</section> </section>