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Restore the accidentally broken abiltity to ignore the S0 (S-zero) in…
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… a formula like COOOHN1S0 when reading transition lists. Reported by Phil
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bspratt committed Nov 22, 2022
1 parent bbacc77 commit 6426c05
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions pwiz_tools/Skyline/TestFunctional/PasteMoleculesTest.cs
Original file line number Diff line number Diff line change
Expand Up @@ -1533,10 +1533,10 @@ private void TestFormulaWithAtomCountZero()
RunUI(() => SkylineWindow.Paste());
AssertEx.IsDocumentState(SkylineWindow.Document, null, 1, 5, 5, 5);
var docMolecules = SkylineWindow.Document.CustomMolecules.Select(mol => mol.CustomMolecule.Formula).ToArray();
AssertEx.AreEqual("C28H42N2OXe", docMolecules[0]);
AssertEx.AreEqual("C30H46N2OXe", docMolecules[1]);
AssertEx.AreEqual("C28H42N2O1Xe", docMolecules[0]);
AssertEx.AreEqual("C30H46N2O1Xe", docMolecules[1]);
AssertEx.AreEqual("C28H41N2OXe", docMolecules[2]);
AssertEx.AreEqual("C28N2OXe", docMolecules[3]);
AssertEx.AreEqual("C28N2O1Xe", docMolecules[3]);
AssertEx.AreEqual("C30N2OXeH45", docMolecules[4]); // We intentionally preserve nonstandard order
NewDocument();
}
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