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Add ex.initial != ex.final assertion in debug mode
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@ -348,6 +348,9 @@ class dataFileBase {
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for (const ex of dat.excitations) {
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for (const ex of dat.excitations) {
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console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
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console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
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}
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}
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for (const ex of dat.excitations) {
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console.assert(JSON.stringify(ex.initial)!==JSON.stringify(ex.final),"Final must be different to initial" dat, ex)
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}
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}
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}
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}
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}
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return dat
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return dat
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