public static void SavitzkyGolayFiltering(WorksheetController ctrl)
{
if (ctrl.SelectedDataColumns.Count == 0)
{
return;
}
object paramobject = new SavitzkyGolayParameters();
if (!Current.Gui.ShowDialog(ref paramobject, "Savitzky-Golay parameters"))
{
return;
}
SavitzkyGolayParameters parameters = (SavitzkyGolayParameters)paramobject;
Altaxo.Data.DataColumn yCol = ctrl.Doc.DataColumns[ctrl.SelectedDataColumns[0]];
Altaxo.Data.DataColumn xCol = ctrl.Doc.DataColumns.FindXColumnOf(yCol);
double spacing = 1;
if (xCol is Data.INumericColumn)
{
Calc.LinearAlgebra.VectorSpacingEvaluator calcspace = new Calc.LinearAlgebra.VectorSpacingEvaluator(Calc.LinearAlgebra.DataColumnWrapper.ToROVector(xCol));
if (!calcspace.HasValidSpaces || calcspace.HasInvalidSpaces)
{
Current.Gui.ErrorMessageBox(string.Format("The x-column {0} contains invalid spaces (is not equally spaced)", xCol.Name));
return;
}
if (calcspace.RelativeSpaceDeviation > 1E-2)
{
System.Windows.Forms.DialogResult dlgresult =
System.Windows.Forms.MessageBox.Show(Current.MainWindow,
string.Format("The x-column {0} is not equally spaced, the deviation is {1}, the mean spacing is {2}. Continue anyway?", xCol.Name, calcspace.RelativeSpaceDeviation, calcspace.SpaceMeanValue),
"Continue?", System.Windows.Forms.MessageBoxButtons.YesNo,
System.Windows.Forms.MessageBoxIcon.Question,
System.Windows.Forms.MessageBoxDefaultButton.Button1);
if (dlgresult == System.Windows.Forms.DialogResult.No)
{
return;
}
}
spacing = calcspace.SpaceMeanValue;
}
Calc.Regression.SavitzkyGolay filter = new SavitzkyGolay(parameters);
yCol.Suspend();
filter.Apply(DataColumnWrapper.ToROVectorCopy(yCol), DataColumnWrapper.ToVector(yCol));
if (parameters.DerivativeOrder > 0)
{
double factor = Math.Pow(1 / spacing, parameters.DerivativeOrder) * Calc.GammaRelated.Fac(parameters.DerivativeOrder);
yCol.Data = yCol * factor;
}
yCol.Resume();
}
public static void Interpolation(Altaxo.Data.DataColumn xCol, Altaxo.Data.DataColumn yCol,
Calc.Interpolation.IInterpolationFunction interpolInstance, IReadOnlyList <double> samplePoints,
Altaxo.Data.DataColumn xRes, Altaxo.Data.DataColumn yRes)
{
int rows = Math.Min(xCol.Count, yCol.Count);
var yVec = DataColumnWrapper.ToROVector((INumericColumn)yCol, rows);
var xVec = DataColumnWrapper.ToROVector((INumericColumn)xCol, rows);
interpolInstance.Interpolate(xVec, yVec);
using (var suspendToken_xRes = xRes.SuspendGetToken())
{
using (var suspendToken_yRes = yRes.SuspendGetToken())
{
for (int i = 0; i < samplePoints.Count; i++)
{
//double r = i / (double)(parameters.NumberOfPoints - 1);
//double x = parameters.XOrg * (1 - r) + parameters.XEnd * (r);
double x = samplePoints[i];
double y = interpolInstance.GetYOfX(x);
xRes[i] = x;
yRes[i] = y;
}
suspendToken_yRes.Resume();
}
suspendToken_xRes.Resume();
}
}
public static void Interpolation(WorksheetController ctrl)
{
if (ctrl.SelectedDataColumns.Count == 0)
{
return;
}
object paramobject = new InterpolationParameters();
if (!Current.Gui.ShowDialog(ref paramobject, "Interpolation"))
{
return;
}
InterpolationParameters parameters = (InterpolationParameters)paramobject;
Altaxo.Data.DataColumn yCol = ctrl.Doc.DataColumns[ctrl.SelectedDataColumns[0]];
Altaxo.Data.DataColumn xCol = ctrl.Doc.DataColumns.FindXColumnOf(yCol);
if (!(yCol is INumericColumn))
{
Current.Gui.ErrorMessageBox("The selected column is not numeric!");
return;
}
if (!(xCol is INumericColumn))
{
Current.Gui.ErrorMessageBox("The x-column of the selected column is not numeric!");
return;
}
int rows = Math.Min(xCol.Count, yCol.Count);
IROVector yVec = DataColumnWrapper.ToROVector((INumericColumn)yCol, rows);
IROVector xVec = DataColumnWrapper.ToROVector((INumericColumn)xCol, rows);
parameters.InterpolationInstance.Interpolate(xVec, yVec);
DoubleColumn xRes = new DoubleColumn();
DoubleColumn yRes = new DoubleColumn();
for (int i = 0; i < parameters.NumberOfPoints; i++)
{
double r = i / (double)(parameters.NumberOfPoints - 1);
double x = parameters.XOrg * (1 - r) + parameters.XEnd * (r);
double y = ((IInterpolationFunction)parameters.InterpolationInstance).GetYOfX(x);
xRes[i] = x;
yRes[i] = y;
}
int newgroup = ctrl.DataTable.DataColumns.GetUnusedColumnGroupNumber();
ctrl.DataTable.DataColumns.Add(xRes, xCol.Name + ".I", ColumnKind.X, newgroup);
ctrl.DataTable.DataColumns.Add(yRes, yCol.Name + ".I", ColumnKind.V, newgroup);
}
public static void GenerateValues(MultivariateLinearFitParameters parameters, LinearFitBySvd fit)
{
DataColumn dependentColumn = parameters.Table[parameters.SelectedDataColumns[parameters.DependentColumnIndexIntoSelection]];
if (parameters.GenerateRegressionValues)
{
var col = new DoubleColumn();
VectorMath.Copy(VectorMath.ToROVector(fit.PredictedValues), DataColumnWrapper.ToVector(col, parameters.SelectedDataRows));
parameters.Table.Add(col, dependentColumn.Name + "(predicted)", ColumnKind.V, parameters.Table.GetColumnGroup(dependentColumn));
}
if (parameters.GenerateResidualValues)
{
var col = new DoubleColumn();
VectorMath.Copy(VectorMath.ToROVector(fit.ResidualValues), DataColumnWrapper.ToVector(col, parameters.SelectedDataRows));
parameters.Table.Add(col, dependentColumn.Name + "(residual)", ColumnKind.V, parameters.Table.GetColumnGroup(dependentColumn));
}
}
public static void SavitzkyGolay(SavitzkyGolayParameters parameters, Altaxo.Data.DataColumn yCol, Altaxo.Data.DataColumn xCol)
{
double spacing = 1;
if (xCol is Data.INumericColumn)
{
var calcspace = new Calc.LinearAlgebra.VectorSpacingEvaluator(Calc.LinearAlgebra.DataColumnWrapper.ToROVector(xCol));
if (!calcspace.HasValidSpaces || calcspace.HasInvalidSpaces)
{
Current.Gui.ErrorMessageBox(string.Format("The x-column {0} contains invalid spaces (is not equally spaced)", xCol.Name));
return;
}
if (calcspace.RelativeSpaceDeviation > 1E-2)
{
if (!Current.Gui.YesNoMessageBox(
string.Format("The x-column {0} is not equally spaced, the deviation is {1}, the mean spacing is {2}. Continue anyway?", xCol.Name, calcspace.RelativeSpaceDeviation, calcspace.SpaceMeanValue),
"Continue?", true))
{
return;
}
}
spacing = calcspace.SpaceMeanValue;
}
var filter = new SavitzkyGolay(parameters);
using (var suspendToken = yCol.SuspendGetToken())
{
filter.Apply(DataColumnWrapper.ToROVectorCopy(yCol), DataColumnWrapper.ToVector(yCol));
if (parameters.DerivativeOrder > 0)
{
double factor = Math.Pow(1 / spacing, parameters.DerivativeOrder) * Calc.GammaRelated.Fac(parameters.DerivativeOrder);
yCol.Data = yCol * factor;
}
suspendToken.Dispose();
}
}
/// <summary>
/// Exports a table to a PLS2CalibrationSet
/// </summary>
/// <param name="table">The table where the calibration model is stored.</param>
/// <param name="calibrationSet"></param>
public static void Export(
DataTable table,
out PLS1CalibrationModel calibrationSet)
{
int numberOfX = GetNumberOfX(table);
int numberOfY = GetNumberOfY(table);
int numberOfFactors = GetNumberOfFactors(table);
calibrationSet = new PLS1CalibrationModel();
calibrationSet.NumberOfX = numberOfX;
calibrationSet.NumberOfY = numberOfY;
calibrationSet.NumberOfFactors = numberOfFactors;
MultivariatePreprocessingModel preprocessSet = new MultivariatePreprocessingModel();
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo != null)
{
preprocessSet.PreprocessOptions = plsMemo.SpectralPreprocessing;
}
calibrationSet.SetPreprocessingModel(preprocessSet);
Altaxo.Collections.AscendingIntegerCollection sel = new Altaxo.Collections.AscendingIntegerCollection();
Altaxo.Data.DataColumn col;
col = table[GetXOfX_ColumnName()];
if (col == null || !(col is INumericColumn))
{
NotFound(GetXOfX_ColumnName());
}
preprocessSet.XOfX = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector((INumericColumn)col, numberOfX);
col = table[GetXMean_ColumnName()];
if (col == null)
{
NotFound(GetXMean_ColumnName());
}
preprocessSet.XMean = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfX);
col = table[GetXScale_ColumnName()];
if (col == null)
{
NotFound(GetXScale_ColumnName());
}
preprocessSet.XScale = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfX);
sel.Clear();
col = table[GetYMean_ColumnName()];
if (col == null)
{
NotFound(GetYMean_ColumnName());
}
sel.Add(table.DataColumns.GetColumnNumber(col));
preprocessSet.YMean = DataColumnWrapper.ToROVector(col, numberOfY);
sel.Clear();
col = table[GetYScale_ColumnName()];
if (col == null)
{
NotFound(GetYScale_ColumnName());
}
sel.Add(table.DataColumns.GetColumnNumber(col));
preprocessSet.YScale = DataColumnWrapper.ToROVector(col, numberOfY);
for (int yn = 0; yn < numberOfY; yn++)
{
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXWeight_ColumnName(yn, i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XWeights[yn] = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfX);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXLoad_ColumnName(yn, i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XLoads[yn] = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfX);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetYLoad_ColumnName(yn, i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.YLoads[yn] = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfY);
sel.Clear();
col = table[GetCrossProduct_ColumnName(yn)];
if (col == null)
{
NotFound(GetCrossProduct_ColumnName());
}
sel.Add(table.DataColumns.GetColumnNumber(col));
calibrationSet.CrossProduct[yn] = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfFactors);
}
}
