PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-24 13:23:40 +01:00
Code Releases Activity

Revert "Add combine basis sets option for statistics"

Browse Source 
This reverts commit fd81ff3c21.
This commit is contained in:
Mickaël Véril 2020-05-05 13:52:00 +02:00
parent 01b704ee8b
commit 38ee9aeffb
1 changed files with 21 additions and 51 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

72
content/multipledataset.html
View File

@ -232,11 +232,10 @@ draft: false
}
async function reloadStat() {
processingIndicator.isActive = true
const combbasis = $("#cb_combbasis").is(":checked")
const refstr = $("#sel_ref option:selected").val()
var stb = $("#stat_table > tbody")
$("#graph_div").empty()
$(stb).empty()
var refstr = $("#sel_ref option:selected").val()
var sdatdic = new Map()
for (const d of window.filtData) {
const key = JSON.stringify(d.method)
@ -265,55 +264,22 @@ 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.name])
const newkeybasis = JSON.stringify(key.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()
for (const [key, sdat] of sdatdic) {
if (key !== refstr) {
for (const [key2, exval] of sdat) {
if (!(sdic.has(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 = []
for (const [keystr, vals] of sdic) {
row = $("<tr/>")
key = JSON.parse(keystr)
if (!combbasis) {
Reflect.setPrototypeOf(key, method.prototype)
}
Reflect.setPrototypeOf(key, method.prototype)
th = $("<th/>", { scope: "column" })
const meth = key
th.clone().text(meth.toString("\n").split('-').join('\u2011')).appendTo(row)
@ -417,6 +383,19 @@ 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")
$(data).empty();
if (window.filtData.length > 0) {
@ -536,7 +515,6 @@ draft: false
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))) {
op = $("<option/>", {
@ -592,7 +570,6 @@ draft: false
</ul>
<li>Choose parameters for the statistics</li>
<ul>
<li>Choose if you want to combine basis sets in the statistics</li>
<li>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)</li>
</ul>
@ -678,15 +655,8 @@ draft: false
<input type="submit" disabled=true value="Load"></input>
</form>
<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>
<select id="sel_ref" onchange="reloadStat()"></select>
</div>
<label for="sel_ref">Reference</label>
<select id="sel_ref" onchange="reloadStat()"></select>
</form>
<section id="data">
</section>