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Remove ZPE non used code

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Mickaël Véril 2020-09-04 13:44:29 +02:00
parent 7048ffe7ad
commit d374da29fa
1 changed files with 0 additions and 77 deletions
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77
static/js/data.js
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@ -198,24 +198,6 @@ class excitationValue extends excitationBase {
}
}
class excitation extends excitationBase {
constructor(initial, final, Eabs, Efluo, EZPE) {
super(initial, final)
this.Eabs = Eabs
this.Efluo = Efluo
this.EZPE = EZPE
}
get Eadia() {
return (this.Eabs + this.Efluo) / 2
}
get Ezz() {
return this.Eadia - this.EZPE
}
toString() {
return this.start + ', ' + this.end + ', ' + noNanPrecision(this.Eabs, 3);
}
}
class dataFileBase {
constructor() {
this.molecule = ''
@ -381,63 +363,4 @@ class VertDataFile extends dataFileBase {
ex.VertExcitationKind = kind
return ex
}
}
class CombinedData {
constructor() {
this.Abs = null
this.Fluo = null
this.ZPE = null
}
get excitations() {
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
}
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
}
}
}