diff --git a/static/js/data.js b/static/js/data.js index fda7daeb..e4ca8283 100644 --- a/static/js/data.js +++ b/static/js/data.js @@ -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 - } - } } \ No newline at end of file