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Fix DebugMode with Unknow set

This commit is contained in:
Mickaël Véril 2020-08-07 17:50:54 +02:00
parent 070e9a7a7d
commit b999c96837

View File

@ -347,7 +347,7 @@ class dataFileBase {
} }
}); });
console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString()) console.assert(double.length === 0, "Double found", double, dat.molecule, dat.method.toString())
if (dat.DOI.string !== "10.1021/acs.jctc.8b01205") { if (dat.DOI!== null && dat.DOI.string !== "10.1021/acs.jctc.8b01205") {
for (const ex of dat.excitations) { for (const ex of dat.excitations) {
console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex) console.assert(Number.isNaN(ex.T1.valueOf()) | ex.T1 > 50 | ex.isUnsafe == true, "Must be unsafe", dat, ex)
} }