public void TestGeneratingProductXic()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
if (!File.Exists(TestRawFilePath))
{
Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, TestRawFilePath);
}
var run = InMemoryLcMsRun.GetLcMsRun(TestRawFilePath);
// const string rafFilePath = @"C:\cygwin\home\kims336\Data\QCShewQE\QC_Shew_13_04_A_17Feb14_Samwise_13-07-28.raf";
const string rafFilePath = @"H:\Research\Jarret\10mz\raw\Q_2014_0523_50_10_fmol_uL_10mz.raf";
if (!File.Exists(rafFilePath))
{
Assert.Ignore(@"Skipping raf portion of test {0} since file not found: {1}", methodName, rafFilePath);
}
var rafRun = new PbfLcMsRun(rafFilePath);
const double precursorIonMz = 815.16;
const double productIonMz = 902.445;
var tolerance = new Tolerance(10);
var xic1 = run.GetFullProductExtractedIonChromatogram(productIonMz, tolerance, precursorIonMz);
// xic1.Display();
var xic2 = rafRun.GetFullProductExtractedIonChromatogram(productIonMz, tolerance, precursorIonMz);
// xic2.Display();
Assert.True(xic1.Equals(xic2));
Console.WriteLine(@"Done");
}
public void TestGeneratingProductXics()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
if (!File.Exists(TestRawFilePath))
{
Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, TestRawFilePath);
}
var run = InMemoryLcMsRun.GetLcMsRun(TestRawFilePath);
// const string rafFilePath = @"C:\cygwin\home\kims336\Data\QCShewQE\QC_Shew_13_04_A_17Feb14_Samwise_13-07-28.raf";
const string rafFilePath = @"H:\Research\Jarret\10mz\raw\Q_2014_0523_50_10_fmol_uL_10mz.raf";
if (!File.Exists(rafFilePath))
{
Assert.Ignore(@"Skipping raf portion of test {0} since file not found: {1}", methodName, rafFilePath);
}
var rafRun = new PbfLcMsRun(rafFilePath);
var tolerance = new Tolerance(10);
var mzArr = new double[100000];
var precursorMzArr = new double[mzArr.Length];
var rnd = new Random();
for (var i = 0; i < mzArr.Length; i++)
{
mzArr[i] = rnd.NextDouble() * 1450.0 + 50.0;
precursorMzArr[i] = rnd.NextDouble() * (810.0 - 390.0) + 390.0;
}
var sw = new System.Diagnostics.Stopwatch();
//double sec;
// method 1
sw.Start();
for (var i = 0; i < mzArr.Length; i++)
{
var mz = mzArr[i];
var tolTh = tolerance.GetToleranceAsTh(mz);
var minMz = mz - tolTh;
var maxMz = mz + tolTh;
var xic1 = run.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
//var xic2 = rafRun.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
//Assert.True(xic1.Equals(xic2));
}
sw.Stop();
Console.WriteLine(@"Method 1: {0:f4} sec", sw.Elapsed.TotalSeconds);
sw.Reset();
sw.Start();
for (var i = 0; i < mzArr.Length; i++)
{
var mz = mzArr[i];
var tolTh = tolerance.GetToleranceAsTh(mz);
var minMz = mz - tolTh;
var maxMz = mz + tolTh;
rafRun.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
}
sw.Stop();
Console.WriteLine(@"Method 2: {0:f4} sec", sw.Elapsed.TotalSeconds);
Console.WriteLine(@"Done");
}
public void TestGeneratingProductXics()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
if (!File.Exists(TestRawFilePath))
{
Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, TestRawFilePath);
}
var run = InMemoryLcMsRun.GetLcMsRun(TestRawFilePath);
// const string rafFilePath = @"C:\cygwin\home\kims336\Data\QCShewQE\QC_Shew_13_04_A_17Feb14_Samwise_13-07-28.raf";
const string rafFilePath = @"H:\Research\Jarret\10mz\raw\Q_2014_0523_50_10_fmol_uL_10mz.raf";
if (!File.Exists(rafFilePath))
{
Assert.Ignore(@"Skipping raf portion of test {0} since file not found: {1}", methodName, rafFilePath);
}
var rafRun = new PbfLcMsRun(rafFilePath);
var tolerance = new Tolerance(10);
var mzArr = new double[100000];
var precursorMzArr = new double[mzArr.Length];
var rnd = new Random();
for (var i = 0; i < mzArr.Length; i++)
{
mzArr[i] = rnd.NextDouble() * 1450.0 + 50.0;
precursorMzArr[i] = rnd.NextDouble() * (810.0 - 390.0) + 390.0;
}
var sw = new System.Diagnostics.Stopwatch();
//double sec;
// method 1
sw.Start();
for (var i = 0; i < mzArr.Length; i++)
{
var mz = mzArr[i];
var tolTh = tolerance.GetToleranceAsTh(mz);
var minMz = mz - tolTh;
var maxMz = mz + tolTh;
var xic1 = run.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
//var xic2 = rafRun.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
//Assert.True(xic1.Equals(xic2));
}
sw.Stop();
Console.WriteLine(@"Method 1: {0:f4} sec", sw.Elapsed.TotalSeconds);
sw.Reset();
sw.Start();
for (var i = 0; i < mzArr.Length; i++)
{
var mz = mzArr[i];
var tolTh = tolerance.GetToleranceAsTh(mz);
var minMz = mz - tolTh;
var maxMz = mz + tolTh;
rafRun.GetFullProductExtractedIonChromatogram(minMz, maxMz, precursorMzArr[i]);
}
sw.Stop();
Console.WriteLine(@"Method 2: {0:f4} sec", sw.Elapsed.TotalSeconds);
Console.WriteLine(@"Done");
}
public void TestGeneratingProductXic()
{
var methodName = MethodBase.GetCurrentMethod().Name;
TestUtils.ShowStarting(methodName);
if (!File.Exists(TestRawFilePath))
{
Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, TestRawFilePath);
}
var run = InMemoryLcMsRun.GetLcMsRun(TestRawFilePath);
// const string rafFilePath = @"C:\cygwin\home\kims336\Data\QCShewQE\QC_Shew_13_04_A_17Feb14_Samwise_13-07-28.raf";
const string rafFilePath = @"H:\Research\Jarret\10mz\raw\Q_2014_0523_50_10_fmol_uL_10mz.raf";
if (!File.Exists(rafFilePath))
{
Assert.Ignore(@"Skipping raf portion of test {0} since file not found: {1}", methodName, rafFilePath);
}
var rafRun = new PbfLcMsRun(rafFilePath);
const double precursorIonMz = 815.16;
const double productIonMz = 902.445;
var tolerance = new Tolerance(10);
var xic1 = run.GetFullProductExtractedIonChromatogram(productIonMz, tolerance, precursorIonMz);
// xic1.Display();
var xic2 = rafRun.GetFullProductExtractedIonChromatogram(productIonMz, tolerance, precursorIonMz);
// xic2.Display();
Assert.True(xic1.Equals(xic2));
Console.WriteLine(@"Done");
}
