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Fix excitationType filtering
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parent
f1d24fb938
commit
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@ -147,7 +147,7 @@ draft: false
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for (const exc of d.excitations) {
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for (const exc of d.excitations) {
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const key2 = JSON.stringify([d.molecule, exc.initial, exc.final])
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const key2 = JSON.stringify([d.molecule, exc.initial, exc.final])
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const keydic = sdatdic.get(key)
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const keydic = sdatdic.get(key)
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if ((!exc.isUnsafe || window.filterParams[0]) && (exc.type & window.filterParams[1])) {
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if ((!exc.isUnsafe || window.filterParams[0]) && ((exc.type & window.filterParams[1])==exc.type.Value)) {
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if (!(keydic.has(key2))) {
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if (!(keydic.has(key2))) {
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keydic.set(key2, [])
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keydic.set(key2, [])
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}
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}
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@ -311,7 +311,7 @@ draft: false
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const key3 = JSON.stringify(dat.method)
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const key3 = JSON.stringify(dat.method)
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for (const ex of dat.excitations) {
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for (const ex of dat.excitations) {
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Reflect.setPrototypeOf(ex.type,excitationType.prototype)
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Reflect.setPrototypeOf(ex.type,excitationType.prototype)
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if (window.filterParams[1] & ex.type != 0) {
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if ((window.filterParams[1] & ex.type)==ex.type.Value) {
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const key2 = JSON.stringify([ex.initial, ex.final, ex.type])
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const key2 = JSON.stringify([ex.initial, ex.final, ex.type])
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if (!datadic.get(key1).has(key2)) {
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if (!datadic.get(key1).has(key2)) {
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datadic.get(key1).set(key2, new Map())
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datadic.get(key1).set(key2, new Map())
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