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Fix excitation type parsing

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Mickaël Véril 2020-01-06 14:35:29 +01:00
parent 7d2f503388
commit f1d24fb938
1 changed files with 58 additions and 58 deletions
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114
static/js/data.js
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@ -1,32 +1,32 @@
class excitationTypes { class excitationTypes {
static get VALENCE(){return new excitationType(1,String.raw`\mathrm{V}`)} static get VALENCE() { return new excitationType(1, String.raw`\mathrm{V}`) }
static get RYDBERG(){return new excitationType(1<<1,String.raw`\mathrm{R}`)} static get RYDBERG() { return new excitationType(1 << 1, String.raw`\mathrm{R}`) }
static get PiPis(){return new excitationType(1<<2,String.raw`\pi \rightarrow \pi^\star`)} static get PiPis() { return new excitationType(1 << 2, String.raw`\pi \rightarrow \pi^\star`) }
static get nPis(){return new excitationType(1<<3,String.raw`n \rightarrow \pi^\star`)} static get nPis() { return new excitationType(1 << 3, String.raw`n \rightarrow \pi^\star`) }
static get Single(){return new excitationType(1<<4,"S")} static get Single() { return new excitationType(1 << 4, "S") }
static get Double(){return new excitationType(1<<5,"D")} static get Double() { return new excitationType(1 << 5, "D") }
static get All(){ static get All() {
var lst=[] var lst = []
for(const prop of Object.getOwnPropertyNames(excitationTypes)){ for (const prop of Object.getOwnPropertyNames(excitationTypes)) {
if (prop!="All") { if (prop != "All") {
const value=excitationTypes[prop] const value = excitationTypes[prop]
if (trueTypeOf(value)==excitationType.name) { if (trueTypeOf(value) == excitationType.name) {
lst.push([prop,value]) lst.push([prop, value])
} }
} }
} }
return lst return lst
} }
static GetFlags(value){ static GetFlags(value) {
return this.All().filter((x)=>{value & x[1]}) return this.All().filter((x) => { value & x[1] })
} }
} }
class excitationType{ class excitationType {
constructor(value,laTeX){ constructor(value, laTeX) {
this.Value=value; this.Value = value;
this.LaTeX=laTeX this.LaTeX = laTeX
} }
valueOf(){ valueOf() {
return this.Value; return this.Value;
} }
} }
@ -52,7 +52,7 @@ class code {
} }
} }
class method { class method {
constructor(name, basis=null) { constructor(name, basis = null) {
this.name = name; this.name = name;
this.basis = basis; this.basis = basis;
} }
@ -72,10 +72,10 @@ class method {
} }
return str; return str;
} }
get isTBE(){ get isTBE() {
return /^TBE/.test(this.name) return /^TBE/.test(this.name)
} }
get isCorrected(){ get isCorrected() {
return /corr$/.test(this.name) return /corr$/.test(this.name)
} }
} }
@ -103,38 +103,38 @@ class DOI {
return this.string; return this.string;
}; };
get url() { get url() {
return new URL(this.string,'https://doi.org').toString() return new URL(this.string, 'https://doi.org').toString()
} }
} }
class excitationBase { class excitationBase {
constructor(initial, final, type='', T1=null) { constructor(initial, final, type = '', T1 = null) {
this.initial = initial; this.initial = initial;
this.final = final this.final = final
this.type=new excitationType(0,type) this.type = new excitationType(0, type)
if (type !== "") { if (type !== "") {
const tys = type.split(";") const tys = type.split(";")
const arrow = String.raw`\rightarrow` const arrow = String.raw`\rightarrow`
for (const ty of tys) { for (const ty of tys) {
if (ty.includes(arrow)) { if (ty.includes(arrow)) {
const [initialt, finalt] = ty.split(arrow, 2) const [initialt, finalt] = ty.split(arrow, 2)
const initialts = initialt.split(",") const initialts = initialt.split(",").map(x => x.trim())
if (initialts.length==2||initialts.length==2){
this.type.Value = this.type | excitationTypes.Simple
}
else{
this.type.Value = this.type | excitationTypes.Double
}
const finalts = finalt.split(",").map(x => x.trim()) const finalts = finalt.split(",").map(x => x.trim())
if (initialts.includes("n") && finalts.includes(String.raw`\pi^\star`)) { if (initialts.length == 2 && finalt.length == 2) {
this.type.Value = this.type | excitationTypes.PiPis this.type.Value = this.type | excitationTypes.Double
} else if (initialts.includes(String.raw`\pi`) in initialts && finals.includes(String.raw`\pi^\star`)) {
this.type.Value = this.type | excitationTypes.PiPis
} else if (ty.includes(String.raw`\pi^\star`)) {
this.type.Value = this.type | excitationTypes.RYDBERG
} else if (ty.includes(String.raw`\mathrm{V}`)) {
this.type.Value = this.type | excitationTypes.VALENCE
} }
else if (initialts.length == 1 && finalt.length == 1) {
this.type.Value = this.type | excitationTypes.Single
}
if (initialts.includes("n") && finalts.includes(String.raw`\pi^\star`)) {
this.type.Value = this.type | excitationTypes.nPis
} else if (initialts.includes(String.raw`\pi`) in initialts && finals.includes(String.raw`\pi^\star`)) {
this.type.Value = this.type | excitationTypes.PiPis
}
} else if (ty.includes(String.raw`\mathrm{R}`)) {
this.type.Value = this.type | excitationTypes.RYDBERG
} else if (ty.includes(String.raw`\mathrm{V}`)) {
this.type.Value = this.type | excitationTypes.VALENCE
} }
} }
} }
@ -142,7 +142,7 @@ class excitationBase {
} }
} }
class excitationValue extends excitationBase { class excitationValue extends excitationBase {
constructor(initial, final, type, value,oscilatorForces=null,T1=null,isUnsafe=false) { constructor(initial, final, type, value, oscilatorForces = null, T1 = null, isUnsafe = false) {
super(initial, final, type, T1) super(initial, final, type, T1)
this.value = value this.value = value
this.oscilatorForces = oscilatorForces this.oscilatorForces = oscilatorForces
@ -176,20 +176,20 @@ class dataFileBase {
this.method = null this.method = null
this.excitations = [] this.excitations = []
this.DOI = null this.DOI = null
this.sourceFile=null this.sourceFile = null
} }
static async loadAsync(file) { static async loadAsync(file) {
switch (trueTypeOf(file)) { switch (trueTypeOf(file)) {
case String.name: case String.name:
file=getFullDataPath(file) file = getFullDataPath(file)
var str=await getTextFromFileUrlAsync(file) var str = await getTextFromFileUrlAsync(file)
break; break;
case File.name: case File.name:
var str=await getTextFromUploadedFileAsync(file) var str = await getTextFromUploadedFileAsync(file)
break break
} }
var dat = this.loadString(str); var dat = this.loadString(str);
dat.sourceFile=new websiteFile(file) dat.sourceFile = new websiteFile(file)
return dat return dat
} }
static readmetaPair(key, value, dat) { static readmetaPair(key, value, dat) {
@ -234,19 +234,19 @@ class dataFileBase {
var vals = line.match(/\([^\)]+\)|\S+/g) var vals = line.match(/\([^\)]+\)|\S+/g)
var start = new state(parseInt(vals[0], 10), parseInt(vals[1], 10), vals[2]); var start = new state(parseInt(vals[0], 10), parseInt(vals[1], 10), vals[2]);
var end = new state(parseInt(vals[3], 10), parseInt(vals[4],10), vals[5]); var end = new state(parseInt(vals[3], 10), parseInt(vals[4],10), vals[5]);
var hasType=vals.length>=7 && isNaN(vals[6]) var hasType = vals.length >= 7 && isNaN(vals[6])
var type=((vals.length>=7 && hasType) ? vals[6] : null) var type = ((vals.length >= 7 && hasType) ? vals[6] : null)
if(type) { if (type) {
const m=type.match(/^\(([^\)]*)\)$/) const m = type.match(/^\(([^\)]*)\)$/)
if (m) { if (m) {
type=m[1] type = m[1]
} }
} }
var val=((vals.length>=7+hasType) ? parseFloat(vals[6+hasType], 10): NaN) var val = ((vals.length >= 7 + hasType) ? parseFloat(vals[6 + hasType], 10) : NaN)
var oscilatorForces=((vals.length>=8+hasType) ? parseFloat(vals[7+hasType],10): NaN) var oscilatorForces = ((vals.length >= 8 + hasType) ? parseFloat(vals[7 + hasType], 10) : NaN)
var T1=((vals.length>=9+hasType) ? parseFloat(vals[8+hasType],10): NaN) var T1 = ((vals.length >= 9 + hasType) ? parseFloat(vals[8 + hasType], 10) : NaN)
var isUnsafe=((vals.length>=10+hasType) ? vals[9+hasType]===true.toString(): false) var isUnsafe = ((vals.length >= 10 + hasType) ? vals[9 + hasType] === true.toString() : false)
var ex = new excitationValue(start, end, type, val,oscilatorForces,T1,isUnsafe); var ex = new excitationValue(start, end, type, val, oscilatorForces, T1, isUnsafe);
dat.excitations.push(ex); dat.excitations.push(ex);
}; };