/// <summary>
/// Get a list of data points for a collection of features.
/// </summary>
/// <param name="features">List of features for one dataset.</param>
/// <returns>
/// Collection of datapoints for features.
/// Item 1: LCMS feature datapoints. Item2: MS Feature datapoints.
/// </returns>
private IEnumerable <DataPoint> GetLcmsScatterPoints(FeaturePoint feature)
{
var lcmsDataPoints = new List <DataPoint> {
Capacity = 3
};
lcmsDataPoints.Add(new DataPoint(feature.Rectangle.X, feature.UMCLight.MassMonoisotopic));
lcmsDataPoints.Add(new DataPoint(feature.Rectangle.X + feature.Rectangle.Width, feature.UMCLight.MassMonoisotopic));
// Insert NaN point to cause broken line series
lcmsDataPoints.Add(new DataPoint(double.NaN, feature.UMCLight.MassMonoisotopic));
return(lcmsDataPoints);
}
/// <summary>Get scatter points for MS features and a rectangle annotation for the LCMS feature.</summary>
/// <param name="feature">An LCMS feature.</param>
/// <param name="dataset">The dataset that the LCMS feature comes from.</param>
/// <returns>The tuple containing the LCMS feature annotation and the MS feature scatter points..</returns>
private Tuple <RectangleAnnotation, IEnumerable <ScatterPoint> > GetMsFeaturesAndAnnotations(FeaturePoint feature, DatasetInformation dataset)
{
var msdataPoints = new List <ScatterPoint> {
Capacity = feature.UMCLight.MsFeatures.Count
};
var minNet = double.PositiveInfinity;
var maxNet = 0.0;
var minMass = double.PositiveInfinity;
var maxMass = 0.0;
foreach (var msfeature in feature.UMCLight.MsFeatures)
{
var net = this.GetNet(dataset, msfeature.Scan);
minNet = Math.Min(minNet, net);
maxNet = Math.Max(maxNet, net);
minMass = Math.Min(minMass, msfeature.MassMonoisotopic);
maxMass = Math.Max(maxMass, msfeature.MassMonoisotopic);
msdataPoints.Add(new ScatterPoint(net, msfeature.MassMonoisotopic, 0.8));
}
var netRange = maxNet - minNet;
netRange = netRange.Equals(0.0) ? 0.01 : netRange;
var massRange = maxMass - minMass;
massRange = Math.Max(1.0, massRange);
minNet = minNet - (0.25 * netRange);
maxNet = maxNet + (0.25 * netRange);
minMass = Math.Max(minMass - (massRange * 0.5), 0);
maxMass = maxMass + (massRange * 0.5);
var annotation = new RectangleAnnotation
{
MinimumX = minNet,
MaximumX = maxNet,
MinimumY = minMass,
MaximumY = maxMass,
Fill = OxyColors.Transparent,
StrokeThickness = 1.0,
};
return(new Tuple <RectangleAnnotation, IEnumerable <ScatterPoint> >(annotation, msdataPoints));
}
