public override void SetCalibrationModel(IMultivariateCalibrationModel calib)
{
if(calib is PCRCalibrationModel)
_calib = (PCRCalibrationModel) calib;
else
throw new ArgumentException("Expecting argument of type PCRCalibrationModel, but actual type is " + calib.GetType().ToString());
}
public override void SetCalibrationModel(IMultivariateCalibrationModel calib)
{
if (calib is PCRCalibrationModel)
{
_calib = (PCRCalibrationModel)calib;
}
else
{
throw new ArgumentException("Expecting argument of type PCRCalibrationModel, 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 PCRCalibrationModel calibrationSet)
{
int numberOfX = GetNumberOfX(table);
int numberOfY = GetNumberOfY(table);
int numberOfFactors = GetNumberOfFactors(table);
int numberOfMeasurements = GetNumberOfMeasurements(table);
calibrationSet = new PCRCalibrationModel();
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);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXScore_ColumnName(i);
col = table.DataColumns.TryGetColumn(colname);
if (col == null) NotFound(colname);
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XScores = DataTableWrapper.ToROColumnMatrix(table.DataColumns, sel, numberOfMeasurements);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXLoad_ColumnName(i);
col = table.DataColumns.TryGetColumn(colname);
if (col == null) NotFound(colname);
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XLoads = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfX);
sel.Clear();
for (int i = 0; i < numberOfY; i++)
{
string colname = GetYLoad_ColumnName(i);
col = table.DataColumns.TryGetColumn(colname);
if (col == null) NotFound(colname);
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.YLoads = DataTableWrapper.ToROColumnMatrix(table.DataColumns, sel, numberOfMeasurements);
sel.Clear();
col = table.DataColumns.TryGetColumn(GetCrossProduct_ColumnName());
if (col == null) NotFound(GetCrossProduct_ColumnName());
calibrationSet.CrossProduct = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfFactors);
}
public override void Reset()
{
_calib = new PCRCalibrationModel();
base.Reset();
}
public override void Import(
IMultivariateCalibrationModel calibrationSet,
DataTable table)
{
PCRCalibrationModel calib = (PCRCalibrationModel)calibrationSet;
int numFactors = calib.NumberOfFactors;
int numberOfY = calib.NumberOfY;
int numberOfPoints = calib.XLoads.Rows;
// store the x-loads - careful - they are horizontal
for (int i = 0; i < numFactors; i++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.XLoads.Columns; j++)
{
col[j] = calib.XLoads[i, j];
}
table.DataColumns.Add(col, GetXLoad_ColumnName(i), Altaxo.Data.ColumnKind.V, 0);
}
// now store the scores - careful - they are vertical in the matrix
for (int i = 0; i < numFactors; i++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int j = 0; j < calib.XScores.Rows; j++)
{
col[j] = calib.XScores[j, i];
}
table.DataColumns.Add(col, GetXScore_ColumnName(i), Altaxo.Data.ColumnKind.V, 0);
}
// now store the y-loads (this are the preprocessed y in this case
for (int cn = 0; cn < numberOfY; cn++)
{
Altaxo.Data.DoubleColumn col = new Altaxo.Data.DoubleColumn();
for (int i = 0; i < numberOfPoints; i++)
{
col[i] = calib.YLoads[i, cn];
}
table.DataColumns.Add(col, GetYLoad_ColumnName(cn), 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 < numFactors; j++)
{
col[j] = calib.CrossProduct[j];
}
table.DataColumns.Add(col, GetCrossProduct_ColumnName(), Altaxo.Data.ColumnKind.V, 3);
}
}
/// <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 PCRCalibrationModel calibrationSet)
{
int numberOfX = GetNumberOfX(table);
int numberOfY = GetNumberOfY(table);
int numberOfFactors = GetNumberOfFactors(table);
int numberOfMeasurements = GetNumberOfMeasurements(table);
calibrationSet = new PCRCalibrationModel();
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);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXScore_ColumnName(i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XScores = DataTableWrapper.ToROColumnMatrix(table.DataColumns, sel, numberOfMeasurements);
sel.Clear();
for (int i = 0; i < numberOfFactors; i++)
{
string colname = GetXLoad_ColumnName(i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.XLoads = DataTableWrapper.ToRORowMatrix(table.DataColumns, sel, numberOfX);
sel.Clear();
for (int i = 0; i < numberOfY; i++)
{
string colname = GetYLoad_ColumnName(i);
col = table[colname];
if (col == null)
{
NotFound(colname);
}
sel.Add(table.DataColumns.GetColumnNumber(col));
}
calibrationSet.YLoads = DataTableWrapper.ToROColumnMatrix(table.DataColumns, sel, numberOfMeasurements);
sel.Clear();
col = table[GetCrossProduct_ColumnName()];
if (col == null)
{
NotFound(GetCrossProduct_ColumnName());
}
calibrationSet.CrossProduct = Altaxo.Calc.LinearAlgebra.DataColumnWrapper.ToROVector(col, numberOfFactors);
}
public override void Reset()
{
_calib = new PCRCalibrationModel();
base.Reset();
}
