public override void SetCalibrationModel(IMultivariateCalibrationModel calib)
{
if (calib is PLS1CalibrationModel)
_calib = (PLS1CalibrationModel)calib;
else
throw new ArgumentException("Expecting argument of type PLS1CalibrationModel, but actual type is " + calib.GetType().ToString());
}
public override void Import(
IMultivariateCalibrationModel calibrationSet,
DataTable table)
{
PLS1CalibrationModel calib = (PLS1CalibrationModel)calibrationSet;
for (int yn = 0; yn < calib.NumberOfY; yn++)
{
// store the x-loads - careful - they are horizontal in the matrix
for (int i = 0; i < calib.XLoads[yn].Rows; i++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.XLoads[yn].Columns; j++)
{
col[j] = calib.XLoads[yn][i, j];
}
table.DataColumns.Add(col, GetXLoad_ColumnName(yn, i), Altaxo.Data.ColumnKind.V, 0);
}
// now store the y-loads - careful - they are horizontal in the matrix
for (int i = 0; i < calib.YLoads[yn].Rows; i++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.YLoads[yn].Columns; j++)
{
col[j] = calib.YLoads[yn][i, j];
}
table.DataColumns.Add(col, GetYLoad_ColumnName(yn, i), Altaxo.Data.ColumnKind.V, 1);
}
// now store the weights - careful - they are horizontal in the matrix
for (int i = 0; i < calib.XWeights[yn].Rows; i++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.XWeights[yn].Columns; j++)
{
col[j] = calib.XWeights[yn][i, j];
}
table.DataColumns.Add(col, GetXWeight_ColumnName(yn, i), Altaxo.Data.ColumnKind.V, 0);
}
// now store the cross product vector - it is a horizontal vector
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.CrossProduct[yn].Columns; j++)
{
col[j] = calib.CrossProduct[yn][0, j];
}
table.DataColumns.Add(col, GetCrossProduct_ColumnName(yn), Altaxo.Data.ColumnKind.V, 3);
}
} // for all y (constituents)
}
public override void SetCalibrationModel(IMultivariateCalibrationModel calib)
{
if (calib is PLS1CalibrationModel)
{
_calib = (PLS1CalibrationModel)calib;
}
else
{
throw new ArgumentException("Expecting argument of type PLS1CalibrationModel, but actual type is " + calib.GetType().ToString());
}
}
/// <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);
}
}
public override void Reset()
{
_calib = new PLS1CalibrationModel();
base.Reset();
}
public override void Reset()
{
_calib = new PLS1CalibrationModel();
base.Reset();
}
/// <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.DataColumns.TryGetColumn(GetXOfX_ColumnName());
if (col == null || !(col is INumericColumn)) NotFound(GetXOfX_ColumnName());
preprocessSet.XOfX = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector((INumericColumn)col, numberOfX);
col = table.DataColumns.TryGetColumn(GetXMean_ColumnName());
if (col == null) NotFound(GetXMean_ColumnName());
preprocessSet.XMean = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfX);
col = table.DataColumns.TryGetColumn(GetXScale_ColumnName());
if (col == null) NotFound(GetXScale_ColumnName());
preprocessSet.XScale = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfX);
sel.Clear();
col = table.DataColumns.TryGetColumn(GetYMean_ColumnName());
if (col == null) NotFound(GetYMean_ColumnName());
sel.Add(table.DataColumns.GetColumnNumber(col));
preprocessSet.YMean = DataColumnWrapper.ToROVector(col, numberOfY);
sel.Clear();
col = table.DataColumns.TryGetColumn(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.DataColumns.TryGetColumn(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.DataColumns.TryGetColumn(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.DataColumns.TryGetColumn(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.DataColumns.TryGetColumn(GetCrossProduct_ColumnName(yn));
if (col == null) NotFound(GetCrossProduct_ColumnName());
sel.Add(table.DataColumns.GetColumnNumber(col));
calibrationSet.CrossProduct[yn] = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfFactors);
}
}