public Feature(MZPeak firstPeak, double RT, double HCDEnergy = 0)
{
this.allRTPeaks = new List <RTPeak>();
this.smoothRTPeaks = new List <RTPeak>();
this.minRT = RT;
this.maxRT = RT;
RTPeak newRTPeak = new RTPeak(firstPeak, RT);
this.allRTPeaks.Add(newRTPeak);
this.maxPeak = newRTPeak;
this.totalMZTimesIntensity += (firstPeak.Intensity * firstPeak.MZ);
this.totalIntensity += (firstPeak.Intensity);
this.averageMZ = firstPeak.MZ;
newRTPeak.HCDEnergy = HCDEnergy;
}
public void AddSmoothPeak(RTPeak peak)
{
this.smoothRTPeaks.Add(peak);
if (this.maxPeak == null)
{
this.maxPeak = peak;
}
if (peak.Intensity > this.maxPeak.Intensity)
{
this.maxPeak = peak;
}
this.totalMZTimesIntensity += (peak.Intensity * peak.MZ);
this.totalIntensity += (peak.Intensity);
this.averageMZ = (this.totalMZTimesIntensity / this.totalIntensity);
}
public void AddPeak(MZPeak peak, double RT, double HCDEnergy = 0)
{
RTPeak newRTPeak = new RTPeak(peak, RT);
this.allRTPeaks.Add(newRTPeak);
if (peak.Intensity > maxPeak.Intensity)
{
apexTime = RT;
maxPeak = newRTPeak;
}
this.maxRT = RT;
this.totalMZTimesIntensity += (peak.Intensity * peak.MZ);
this.totalIntensity += (peak.Intensity);
this.averageMZ = (this.totalMZTimesIntensity / this.totalIntensity);
newRTPeak.HCDEnergy = HCDEnergy;
}
public void AddPeak(RTPeak peak)
{
this.allRTPeaks.Add(peak);
if (maxPeak == null)
{
MaxPeak = peak;
}
if (peak.Intensity > maxPeak.Intensity)
{
apexTime = peak.RT;
maxPeak = peak;
}
this.maxRT = peak.RT;
this.totalMZTimesIntensity += (peak.Intensity * peak.MZ);
this.totalIntensity += (peak.Intensity);
this.averageMZ = (this.totalMZTimesIntensity / this.totalIntensity);
}
public static List <RTPeak> ConvertFeatureStringToPeakList(string featureString)
{
List <RTPeak> returnList = new List <RTPeak>();
string[] parts = featureString.Split(';');
foreach (var part in parts)
{
if (!string.IsNullOrEmpty(part))
{
string[] subparts = part.Split(',');
double rt = double.Parse(subparts[0]);
double intensity = double.Parse(subparts[1]);
var newRTPeak = new RTPeak();
newRTPeak.RT = rt;
newRTPeak.Intensity = intensity;
returnList.Add(newRTPeak);
}
}
return(returnList);
}
public bool Equals(RTPeak obj)
{
return(obj is RTPeak && Equals((RTPeak)obj));
}
public int CompareTo(Object other)
{
RTPeak otherPeak = (RTPeak)other;
return(RT.CompareTo(otherPeak.RT));
}
public int CompareTo(RTPeak other)
{
return(RT.CompareTo(other.RT));
}