private void CreateEquation(ICurveFitting fitting = null)
{
if (fitting == null)
{
return;
}
double[] param = fitting.Parameter();
if (param.Length == 2)
{
equation.Inlines.Add(" ");
equation.Inlines.Add(Math.Round(param[1], 2).ToString());
equation.Inlines.Add("ln(x)");
if (param[0] > 0)
{
equation.Inlines.Add("+");
}
equation.Inlines.Add(Math.Round(param[0], 2).ToString());
}
else
{
equation.Inlines.Add(" ");
equation.Inlines.Add(Math.Round(param[3], 2).ToString());
equation.Inlines.Add("x");
equation.Inlines.Add(SuperscriptRun("3"));
if (param[2] > 0)
{
equation.Inlines.Add("+");
}
equation.Inlines.Add(Math.Round(param[2], 2).ToString());
equation.Inlines.Add("x");
equation.Inlines.Add(SuperscriptRun("2"));
if (param[1] > 0)
{
equation.Inlines.Add("+");
}
equation.Inlines.Add(Math.Round(param[1], 2).ToString());
equation.Inlines.Add("x");
if (param[0] > 0)
{
equation.Inlines.Add("+");
}
equation.Inlines.Add(Math.Round(param[0], 2).ToString());
}
}
static List <GUI> Init(ref ICurveFitting Fitter, ISpectrumReader reader)
{
double ppm = 5;
object resultLock = new object();
List <double> Retention = new List <double>();
List <double> Guis = new List <double>();
IGUIFinder finder = new BinarySearchFinder(ppm);
IProcess picking = new LocalNeighborPicking();
Dictionary <int, List <GUI> > pointMaps = new Dictionary <int, List <GUI> >();
int start = reader.GetFirstScan();
int end = reader.GetLastScan();
Parallel.For(start, end, (i) =>
{
if (reader.GetMSnOrder(i) < 2)
{
ISpectrum spectrum = picking.Process(reader.GetSpectrum(i));
lock (resultLock)
{
pointMaps[i] = finder.FindGlucoseUnits(spectrum);
}
}
});
List <List <GUI> > points =
pointMaps.OrderBy(p => p.Key).Select(p => p.Value).ToList();
IGUISequencer sequencer = new DynamicProgrammingSequencer();
List <GUI> GuiPoints = sequencer.Choose(points);
Fitter = new PolynomialFitting();
Dictionary <int, GUI> guiSelected = new Dictionary <int, GUI>();
foreach (GUI gui in GuiPoints)
{
if (guiSelected.ContainsKey(gui.Unit))
{
if (guiSelected[gui.Unit].Peak.GetIntensity() < gui.Peak.GetIntensity())
{
guiSelected[gui.Unit] = gui;
}
}
else
{
guiSelected[gui.Unit] = gui;
}
}
Retention.Clear();
Guis.Clear();
List <GUI> guiChoice = guiSelected.Values.OrderBy(g => g.Scan).ToList();
foreach (GUI gui in guiChoice)
{
int scan = gui.Scan;
double time = reader.GetRetentionTime(scan);
Retention.Add(time);
Guis.Add(gui.Unit);
}
Fitter.Fit(Retention, Guis);
return(GuiPoints);
}
static double Normalize(ICurveFitting Fitter, double time)
{
return(Fitter.GlucoseUnit(time));
}
