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(); }
/// <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); } }