protected MassSpecMethod GetMethod(string methodFilePath)
{
MassSpecMethod method;
BuildQtrapMethod.GetAcqMethod(methodFilePath, out method);
return(method);
}
public void TestMRMMethod()
{
string projectDirectory = GetProjectDirectory();
var args = new[] { Path.Combine(projectDirectory, METHOD_FILE),
Path.Combine(projectDirectory, LIST_UNSCHED) };
var builder = new BuildQtrapMethod();
builder.ParseCommandArgs(args);
builder.build();
string methodFilePath = Path.GetFullPath(Path.Combine(projectDirectory, METHOD_UNSCHED));
// read the updated method and make sure that the
// transition list has been included
MassSpecMethod method = GetMethod(methodFilePath);
var period = (Period)method.GetPeriod(0);
var msExperiment = (Experiment)period.GetExperiment(0);
Assert.AreEqual(60, msExperiment.MassRangesCount);
// Check the first one
// 744.839753,1087.49894,20,APR.AGLCQTFVYGGCR.y9.light,85.4,38.2
var massRange = (MassRange)msExperiment.GetMassRange(0);
Assert.AreEqual(20, massRange.DwellTime);
Assert.AreEqual(744.839753, massRange.QstartMass, 0.00005);
Assert.AreEqual(0, massRange.QstopMass);
Assert.AreEqual(1087.49894, massRange.QstepMass, 0.00005);
var msMassRange3 = (IMassRange3)massRange;
Assert.AreEqual("APR.AGLCQTFVYGGCR.y9.light", msMassRange3.CompoundID);
// Check the last one
// 572.791863,724.375566,20,CRP.GYSIFSYATK.y6.heavy,72.6,28.2
massRange = (MassRange)msExperiment.GetMassRange(59);
Assert.AreEqual(20, massRange.DwellTime);
Assert.AreEqual(572.791863, massRange.QstartMass, 0.00005);
Assert.AreEqual(0, massRange.QstopMass);
Assert.AreEqual(724.375566, massRange.QstepMass, 0.00005);
msMassRange3 = (IMassRange3)massRange;
Assert.AreEqual("CRP.GYSIFSYATK.y6.heavy", msMassRange3.CompoundID);
DeleteOutput(methodFilePath);
}
public void TestMRMMethod()
{
string projectDirectory = GetProjectDirectory();
var args = new[] { Path.Combine(projectDirectory, METHOD_FILE),
Path.Combine(projectDirectory, LIST_UNSCHED) };
var builder = new BuildQtrapMethod();
builder.ParseCommandArgs(args);
builder.build();
string methodFilePath = Path.GetFullPath(Path.Combine(projectDirectory, METHOD_UNSCHED));
// read the updated method and make sure that the
// transition list has been included
MassSpecMethod method = GetMethod(methodFilePath);
var period = (Period)method.GetPeriod(0);
var msExperiment = (Experiment)period.GetExperiment(0);
Assert.AreEqual(60, msExperiment.MassRangesCount);
// Check the first one
// 744.839753,1087.49894,20,APR.AGLCQTFVYGGCR.y9.light,85.4,38.2
var massRange = (MassRange)msExperiment.GetMassRange(0);
Assert.AreEqual(20, massRange.DwellTime);
Assert.AreEqual(744.839753, massRange.QstartMass, 0.00005);
Assert.AreEqual(0, massRange.QstopMass);
Assert.AreEqual(1087.49894, massRange.QstepMass, 0.00005);
var msMassRange3 = (IMassRange3)massRange;
Assert.AreEqual("APR.AGLCQTFVYGGCR.y9.light", msMassRange3.CompoundID);
// Check the last one
// 572.791863,724.375566,20,CRP.GYSIFSYATK.y6.heavy,72.6,28.2
massRange = (MassRange)msExperiment.GetMassRange(59);
Assert.AreEqual(20, massRange.DwellTime);
Assert.AreEqual(572.791863, massRange.QstartMass, 0.00005);
Assert.AreEqual(0, massRange.QstopMass);
Assert.AreEqual(724.375566, massRange.QstepMass, 0.00005);
msMassRange3 = (IMassRange3)massRange;
Assert.AreEqual("CRP.GYSIFSYATK.y6.heavy", msMassRange3.CompoundID);
DeleteOutput(methodFilePath);
}