public static Dictionary <int, List <MSFeatureLight> > BuildChargeMap(UMCLight feature)
{
var chargeMap = new Dictionary <int, List <MSFeatureLight> >();
foreach (var msFeature in feature.MsFeatures)
{
if (!chargeMap.ContainsKey(msFeature.ChargeState))
{
chargeMap.Add(msFeature.ChargeState, new List <MSFeatureLight>());
}
chargeMap[msFeature.ChargeState].Add(msFeature);
}
return(chargeMap);
}
public UMCLight(UMCLight feature)
{
Abundance = feature.Abundance;
AbundanceSum = feature.AbundanceSum;
AmbiguityScore = feature.AmbiguityScore;
AverageDeconFitScore = feature.AverageDeconFitScore;
AverageInterferenceScore = feature.AverageInterferenceScore;
ChargeState = feature.ChargeState;
ClusterId = feature.ClusterId;
ConformationFitScore = feature.ConformationFitScore;
ConformationId = feature.ConformationId;
DriftTime = feature.DriftTime;
GroupId = feature.GroupId;
Id = feature.Id;
IdentifiedSpectraCount = feature.IdentifiedSpectraCount;
Index = feature.Index;
MassMonoisotopic = feature.MassMonoisotopic;
MassMonoisotopicAligned = feature.MassMonoisotopicAligned;
MassMonoisotopicOriginal = feature.MassMonoisotopicOriginal;
MeanChargeStateRsquared = feature.MeanChargeStateRsquared;
MeanIsotopicRsquared = feature.MeanIsotopicRsquared;
MinimumCentroidDistance = feature.MinimumCentroidDistance;
MsMsCount = feature.MsMsCount;
Mz = feature.Mz;
Net = feature.Net;
NetAligned = feature.NetAligned;
SaturatedMemberCount = feature.SaturatedMemberCount;
Scan = feature.Scan;
ScanAligned = feature.ScanAligned;
ScanEnd = feature.ScanEnd;
ScanStart = feature.ScanStart;
Score = feature.Score;
SpectralCount = feature.SpectralCount;
MinCharge = feature.MinCharge;
MaxCharge = feature.MaxCharge;
// UmcCluster = feature.UmcCluster;
// Charge state and Isotopic Chromatograms
ChargeStateChromatograms = new Dictionary <int, Chromatogram>();
IsotopeChromatograms = new Dictionary <int, List <Chromatogram> >();
}
/// <summary>
/// Converts mass tags to UMC's.
/// </summary>
/// <param name="massTags"></param>
/// <returns></returns>
public static List <UMCLight> ConvertToUMC(List <MassTagLight> massTags)
{
var baselineFeatures = new List <UMCLight>();
// Convert the mass tags to features.
foreach (var tag in massTags)
{
var umc = new UMCLight
{
ChargeState = 0,
Net = tag.Net,
MassMonoisotopic = tag.MassMonoisotopic,
MassMonoisotopicAligned = tag.MassMonoisotopicAligned,
DriftTime = tag.DriftTime,
Id = tag.Id
};
umc.ChargeState = tag.ChargeState;
umc.GroupId = -1;
baselineFeatures.Add(umc);
}
return(baselineFeatures);
}
public void SetParentFeature(UMCLight parentFeature)
{
Umc = parentFeature;
UmcId = Umc.Id;
}