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Copy excitationType from TBE
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parent
10a6482502
commit
8cb95c952b
@ -68,7 +68,7 @@ draft: false
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processingIndicator.isActive = true
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var chks = []
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var chks = $("#form_datFiles > ul > ul > li >input[type=checkbox]:checked")
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var proms = Array.from(chks).flatMap((c) => {
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var proms = Array.from(chks).map((c) => {
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switch (c.value) {
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case "abs":
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return getAbsFilesName().map((f) => AbsDataFile.loadAsync(f));
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@ -81,7 +81,18 @@ draft: false
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break;
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}
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})
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window.dats = await Promise.all(proms)
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window.dats=[]
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for(const subproms of proms){
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var sub = await Promise.all(subproms)
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for(mol of uniq(sub.map(d=>d.molecule))){
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submol=sub.filter(d=>d.molecule==mol)
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TBE=sub.find((d)=>d.method.isTBE)
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for(dat of submol.filter((d)=>d!==TBE)){
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dat.CopyExcitationsTypeFrom(TBE)
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}
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}
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window.dats=window.dats.concat(sub)
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}
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processingIndicator.isActive = false
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reloadFileSelector()
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await reloadSelect()
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@ -207,6 +207,16 @@ class dataFileBase {
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this.DOI = null
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this.sourceFile = null
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}
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CopyExcitationsTypeFrom(data) {
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for (const ex of this.excitations) {
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const ex2=data.excitations.find((e)=>{
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return (JSON.stringify(e.initial)===JSON.stringify(ex.initial)) && (JSON.stringify(e.final)===JSON.stringify(ex.final))
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})
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if(ex2!==undefined){
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ex.type=ex2.type
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}
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}
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}
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static async loadAsync(file) {
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switch (trueTypeOf(file)) {
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case String.name:
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