Modified failing tests to no longer fail

smith-chem-wisc · Jan 14, 2025 · 8f555aa · 8f555aa
1 parent 324ca4d
commit 8f555aa
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Showing 3 changed files with 10 additions and 7 deletions.
diff --git a/mzLib/Test/FileReadingTests/TestMsDataFileToResultsAdapter.cs b/mzLib/Test/FileReadingTests/TestMsDataFileToResultsAdapter.cs
@@ -3,6 +3,7 @@
 using System.Diagnostics;
 using System.Diagnostics.CodeAnalysis;
 using System.IO;
+using System.Linq;
 using MassSpectrometry;
 using MzLibUtil;
 using NUnit.Framework;
@@ -135,7 +136,8 @@ public void TestWriting(string filePath, string outfile, int loop)
                 Assert.That(readInScan.OneBasedScanNumber.Equals(writtenScan.OneBasedScanNumber));
                 Assert.That(readInScan.MsnOrder.Equals(writtenScan.MsnOrder));
                 Assert.That(readInScan.IsCentroid.Equals(writtenScan.IsCentroid));
-                Assert.That(readInScan.MassSpectrum.Equals(writtenScan.MassSpectrum));
+                Assert.That(readInScan.MassSpectrum.YArray, Is.EquivalentTo(writtenScan.MassSpectrum.YArray));
+                Assert.That(readInScan.MassSpectrum.XArray, Is.EquivalentTo(writtenScan.MassSpectrum.XArray.Select(x => Math.Round(x, 4, MidpointRounding.AwayFromZero))));
             }
 
             File.Delete(outfile);

diff --git a/mzLib/Test/FileReadingTests/TestMzML.cs b/mzLib/Test/FileReadingTests/TestMzML.cs
@@ -741,7 +741,8 @@ public void WriteMzmlTest()
             Assert.AreEqual(2, reader.GetClosestOneBasedSpectrumNumber(2));
 
             var newFirstValue = reader.GetOneBasedScan(1).MassSpectrum.FirstX;
-            Assert.AreEqual(oldFirstValue.Value, newFirstValue.Value, 1e-9);
+            Assert.AreNotEqual(oldFirstValue.Value, newFirstValue.Value);
+            Assert.AreEqual(Math.Round((double)oldFirstValue, 4, MidpointRounding.AwayFromZero), newFirstValue.Value, 1e-6);
 
             var secondScan2 = reader.GetOneBasedScan(2);
 

diff --git a/mzLib/Test/FileReadingTests/TestRawFileReader.cs b/mzLib/Test/FileReadingTests/TestRawFileReader.cs
@@ -171,13 +171,13 @@ public static void TestPeakFilteringRawFileReader(string infile)
 
                 for (int j = 0; j < mzmlScan.MassSpectrum.XArray.Length; j++)
                 {
-                    double roundedMzmlMz = Math.Round(mzmlScan.MassSpectrum.XArray[j], 2);
-                    double roundedRawMz = Math.Round(rawScan.MassSpectrum.XArray[j], 2);
+                    double roundedRawMz = Math.Round(rawScan.MassSpectrum.XArray[j], 4, MidpointRounding.AwayFromZero);
 
-                    Assert.AreEqual(roundedMzmlMz, roundedRawMz);
+                    //  XArray is rounded to the 4th digit during CreateAndWrite
+                    Assert.AreEqual(mzmlScan.MassSpectrum.XArray[j], roundedRawMz);
 
-                    double roundedMzmlIntensity = Math.Round(mzmlScan.MassSpectrum.XArray[j], 0);
-                    double roundedRawIntensity = Math.Round(rawScan.MassSpectrum.XArray[j], 0);
+                    double roundedMzmlIntensity = Math.Round(mzmlScan.MassSpectrum.XArray[j], 0, MidpointRounding.AwayFromZero);
+                    double roundedRawIntensity = Math.Round(rawScan.MassSpectrum.XArray[j], 0, MidpointRounding.AwayFromZero);
 
                     Assert.AreEqual(roundedMzmlIntensity, roundedRawIntensity);
                 }