public bool ShareProteinId(ProteinSpectrumMatchSet other)
{
foreach (var prsm1 in this)
{
foreach (var prsm2 in other)
{
if (prsm1.ProteinId.Equals(prsm2.ProteinId))
{
return(true);
}
}
}
return(false);
}
public ProteinSpectrumMatchSet[][] GroupAcrossRuns(List <ProteinSpectrumMatchSet>[] prsmGroup, INodeComparer <ProteinSpectrumMatchSet> prsmGroupComparer)
{
var nDataset = prsmGroup.Length;
var prsmSet = new NodeSet <ProteinSpectrumMatchSet>()
{
};
for (var i = 0; i < nDataset; i++)
{
var groupedPrsms = prsmGroup[i];
if (groupedPrsms == null)
{
continue;
}
prsmSet.AddRange(groupedPrsms);
}
var alignedPrsms = prsmSet.ConnnectedComponents(prsmGroupComparer);
var alignedResult = new ProteinSpectrumMatchSet[alignedPrsms.Count][];
for (var i = 0; i < alignedResult.Length; i++)
{
alignedResult[i] = new ProteinSpectrumMatchSet[nDataset];
}
for (var i = 0; i < alignedPrsms.Count; i++)
{
foreach (var set in alignedPrsms[i])
{
if (alignedResult[i][set.DataId] != null)
{
alignedResult[i][set.DataId].Merge(set);
//Console.WriteLine("[{4}] {0}-{1}...{2}-{3}", set.MinScanNum, set.MaxScanNum, alignedResult[i][set.DataId].MinScanNum, alignedResult[i][set.DataId].MaxScanNum, set.DataId);
}
else
{
alignedResult[i][set.DataId] = set;
}
}
}
return(alignedResult);
}
public LcMsFeature(double repMass, int repCharge, double repMz, int repScanNum, double abundance,
int minCharge, int maxCharge, int minScan, int maxScan,
double minElution, double maxElution, double minNet = 0, double maxNet = 0)
{
Abundance = abundance;
RepresentativeMass = repMass;
RepresentativeCharge = repCharge;
RepresentativeMz = repMz;
RepresentativeScanNum = repScanNum;
MinCharge = (minCharge > 0) ? minCharge : repCharge;
MaxCharge = (maxCharge > 0) ? maxCharge : repCharge;
MinScanNum = (minScan > 0) ? minScan : repScanNum;
MaxScanNum = (maxScan > 0) ? maxScan : repScanNum;
MinElutionTime = minElution;
MaxElutionTime = maxElution;
MaxNet = maxNet;
MinNet = minNet;
ProteinSpectrumMatches = new ProteinSpectrumMatchSet(0);
}
public void Merge(ProteinSpectrumMatchSet other)
{
AddRange(other);
}