public void TestUmcFeatures(string path)
{
var reader = new MSFeatureLightFileReader { Delimeter = "," };
var newMsFeatures = reader.ReadFile(path);
var finder = new UMCFeatureFinder();
var options = new LCMSFeatureFindingOptions
{
AveMassWeight = .01f,
ConstraintAveMass = 6,
ConstraintMonoMass = 6,
FitWeight = .1f,
IsIsotopicFitFilterInverted = false,
IsotopicFitFilter = .15,
IsotopicIntensityFilter = 0,
LogAbundanceWeight = .1f,
MaxDistance = .1,
MinUMCLength = 3,
MonoMassWeight = .01f,
NETWeight = .1f,
ScanWeight = .01f,
UMCAbundanceReportingType = AbundanceReportingType.Max,
UseIsotopicFitFilter = true,
UseIsotopicIntensityFilter = false,
UseNET = true
};
var start = DateTime.Now;
var umcs = finder.FindFeatures(newMsFeatures.ToList(), options, null);
var end = DateTime.Now;
Console.WriteLine(end.Subtract(start).TotalSeconds);
Assert.Greater(umcs.Count, 0);
}
public void TestUmcFeatures(string path)
{
var reader = new MSFeatureLightFileReader {
Delimeter = ","
};
var newMsFeatures = reader.ReadFile(path);
var finder = new UMCFeatureFinder();
var options = new LCMSFeatureFindingOptions
{
AveMassWeight = .01f,
ConstraintAveMass = 6,
ConstraintMonoMass = 6,
FitWeight = .1f,
IsIsotopicFitFilterInverted = false,
IsotopicFitFilter = .15,
IsotopicIntensityFilter = 0,
LogAbundanceWeight = .1f,
MaxDistance = .1,
MinUMCLength = 3,
MonoMassWeight = .01f,
NETWeight = .1f,
ScanWeight = .01f,
UMCAbundanceReportingType = AbundanceReportingType.Max,
UseIsotopicFitFilter = true,
UseIsotopicIntensityFilter = false,
UseNET = true
};
var start = DateTime.Now;
var umcs = finder.FindFeatures(newMsFeatures.ToList(), options, null);
var end = DateTime.Now;
Console.WriteLine(end.Subtract(start).TotalSeconds);
Assert.Greater(umcs.Count, 0);
}
