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https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 05:43:46 +01:00
Remove DOI class
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parent
e21750c8b0
commit
0b09a98713
@ -99,12 +99,12 @@ draft: false
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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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const subdoi = sub.filter(d => (d.DOI == null ? "" : d.DOI.string) === doi)
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for (const doi of new Set(sub.map(d => d.DOI))) {
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const subdoi = sub.filter(d => (d.DOI == null ? "" : d.DOI) === doi)
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for (mol of uniq(subdoi.map(d => d.molecule))) {
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const submol = subdoi.filter(d => d.molecule === mol)
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const source = submol.find((d) => {
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if ((d.DOI == null ? "" : d.DOI.string) === "10.1021/acs.jctc.8b01205") {
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if ((d.DOI == null ? "" : d.DOI) === "10.1021/acs.jctc.8b01205") {
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return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ"
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} else {
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return d.method.isTBE
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@ -120,7 +120,7 @@ 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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await doiCache.addRange(Array.from(new Set(window.defaultDats.filter(d => d.DOI !== null).map(d => d.DOI))))
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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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@ -134,8 +134,8 @@ draft: false
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return -1
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}
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else {
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const puba = doiCache.get(DOIa.string).format('data', { format: 'object' })[0]
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const pubb = doiCache.get(DOIb.string).format('data', { format: 'object' })[0]
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const puba = doiCache.get(DOIa).format('data', { format: 'object' })[0]
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const pubb = doiCache.get(DOIb).format('data', { format: 'object' })[0]
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return pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb)
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}
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})
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@ -290,7 +290,7 @@ draft: false
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case "basis":
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return data.method.basis
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case "DOI":
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return data.DOI === null ? "" : data.DOI.string
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return data.DOI === null ? "" : data.DOI
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default:
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return data[name]
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break;
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@ -306,7 +306,7 @@ draft: false
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var sdatdic = new Map()
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for (const d of window.filtData) {
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const key = JSON.stringify(d.method)
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const doi = (d.DOI == null ? "" : d.DOI.string)
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const doi = (d.DOI == null ? "" : d.DOI)
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const SetName = publis.findSetNameFromDOI(doi,true)
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if (!(sdatdic.has(key))) {
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sdatdic.set(key, new Map())
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@ -423,7 +423,7 @@ 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))
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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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@ -431,7 +431,7 @@ draft: false
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window.T1ref.set(setName, new Map())
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for (const mol of mols) {
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window.T1ref.get(setName).set(mol, new Map())
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var TBESortdat = window.dats.filter(d => (d.DOI === null ? "" : d.DOI.string) === doi && d.molecule === mol).sort((d1, d2) => {
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var TBESortdat = window.dats.filter(d => (d.DOI === null ? "" : d.DOI) === doi && d.molecule === mol).sort((d1, d2) => {
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if (d1.method.isTBE && !d2.method.isTBE) {
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return -1
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} else if (!d1.method.isTBE && d2.method.isTBE) {
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@ -455,7 +455,7 @@ draft: false
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}
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}
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$(sel_ref).empty()
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for (const el of uniq(window.filtData.map(d => [d.method, (d.DOI === null ? null : d.DOI.string)]))) {
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for (const el of uniq(window.filtData.map(d => [d.method, (d.DOI === null ? null : d.DOI)]))) {
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op = $("<option/>", {
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value: JSON.stringify(el)
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}).text(el[0])
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@ -474,7 +474,7 @@ draft: false
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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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return (d.DOI === null ? "" : d.DOI) == doi
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})
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var methods = uniq(paperdata.map(d => d.method))
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const sortedMethods = methods.sort((a, b) => {
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@ -515,7 +515,7 @@ draft: false
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adjustSticky();
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datadic = new Map()
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for (const dat of paperdata) {
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const doi = (dat.DOI == null ? "" : dat.DOI.string)
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const doi = (dat.DOI == null ? "" : dat.DOI)
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const setName = publis.findSetNameFromDOI(doi)
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const key1 = dat.molecule;
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const myT1s = T1ref.get(setName).get(dat.molecule)
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@ -20,7 +20,7 @@ draft: false
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window.onload = async function () {
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var div = document.getElementById("publis_div")
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const Cite = require("citation-js")
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const sdois = uniq(Object.values(await loadAllData()).flat().filter(d => d.DOI !== null).map(d => d.DOI.string))
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const sdois = uniq(Object.values(await loadAllData()).flat().filter(d => d.DOI !== null).map(d => d.DOI))
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const spubliscite = await Cite.async(sdois)
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const uospublis = spubliscite.format('data', { format: 'object' })
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const spublis = uospublis.sort((puba, pubb) => pubUtils.getIssuedDate(puba) - pubUtils.getIssuedDate(pubb))
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@ -115,24 +115,6 @@ class state {
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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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};
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static fromString(str) {
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return new DOI(str)
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}
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toString() {
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var str = this.string;
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if (this.IsSupporting) {
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str += " " + "(SI)"
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}
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return str
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};
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get url() {
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return new URL(this.string, 'https://doi.org').toString()
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}
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}
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class excitationBase {
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constructor(initial, final, type = '', T1 = null) {
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@ -247,7 +229,7 @@ class dataFileBase {
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this.method = method.fromString(value)
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break;
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case "doi":
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this.DOI = DOI.fromString(value);
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this.DOI = value
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break;
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}
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}
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@ -320,7 +302,7 @@ class dataFileBase {
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}
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});
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console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString())
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if (dat.DOI!== null && dat.DOI.string !== "10.1021/acs.jctc.8b01205") {
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if (dat.DOI!== null && dat.DOI !== "10.1021/acs.jctc.8b01205") {
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for (const ex of dat.excitations) {
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console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
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}
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