/// <summary>
/// Plots all preprocessed spectra into a newly created graph.
/// </summary>
/// <param name="table">The table of PLS output data.</param>
public static void PlotPredictionScores(Altaxo.Data.DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
return;
}
if (plsMemo.PreferredNumberOfFactors <= 0)
{
QuestPreferredNumberOfFactors(plsMemo);
}
GetAnalysis(table).CalculateAndStorePredictionScores(table, plsMemo.PreferredNumberOfFactors);
AscendingIntegerCollection sel = new AscendingIntegerCollection();
for (int i = 0; i < plsMemo.NumberOfConcentrationData; i++)
{
string name = WorksheetAnalysis.GetPredictionScore_ColumnName(i, plsMemo.PreferredNumberOfFactors);
if (null != table[name])
{
sel.Add(table.DataColumns.GetColumnNumber(table[name]));
}
}
Worksheet.Commands.PlotCommands.PlotLine(table, sel, true, false);
}
/// <summary>
/// Asks the user for the preferred number of factors to use for calculation and plotting and stores that number in the
/// PLS content tag of the table.
/// </summary>
/// <param name="table">The table which contains the PLS model.</param>
public static void QuestPreferredNumberOfFactors(Altaxo.Data.DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
return;
}
QuestPreferredNumberOfFactors(plsMemo);
}
public static WorksheetAnalysis GetAnalysis(DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
throw new ArgumentException("Table does not contain a PLSContentMemento");
}
return(plsMemo.Analysis);
}
/// <summary>
/// This predicts the selected columns/rows against a user choosen calibration model.
/// The orientation of spectra is given by the parameter <c>spectrumIsRow</c>.
/// </summary>
/// <param name="ctrl">The worksheet controller containing the selected data.</param>
/// <param name="spectrumIsRow">If true, the spectra is horizontally oriented, else it is vertically oriented.</param>
public static void PredictValues(WorksheetController ctrl, bool spectrumIsRow)
{
string modelName, destName;
if (false == QuestCalibrationModelAndDestinationTable(out modelName, out destName) || null == modelName)
{
return; // Cancelled by user
}
Altaxo.Data.DataTable modelTable = Current.Project.DataTableCollection[modelName];
Altaxo.Data.DataTable destTable = (null == destName ? new Altaxo.Data.DataTable() : Current.Project.DataTableCollection[destName]);
if (modelTable == null || destTable == null)
{
throw new ApplicationException("Unexpected: modelTable or destTable is null");
}
int numberOfFactors = 0;
MultivariateContentMemento memento = modelTable.GetTableProperty("Content") as MultivariateContentMemento;
if (memento != null)
{
numberOfFactors = memento.PreferredNumberOfFactors;
}
if (numberOfFactors == 0)
{
QuestPreferredNumberOfFactors(modelTable);
memento = modelTable.GetTableProperty("Content") as MultivariateContentMemento;
if (memento != null)
{
numberOfFactors = memento.PreferredNumberOfFactors;
}
}
memento.Analysis.PredictValues(
ctrl.DataTable,
ctrl.SelectedDataColumns,
ctrl.SelectedDataRows,
spectrumIsRow,
numberOfFactors,
modelTable,
destTable);
// if destTable is new, show it
if (destTable.ParentObject == null)
{
Current.Project.DataTableCollection.Add(destTable);
Current.ProjectService.OpenOrCreateWorksheetForTable(destTable);
}
}
public static void QuestPreferredNumberOfFactors(MultivariateContentMemento plsMemo)
{
// quest the number of factors to export
IntegerValueInputController ivictrl = new IntegerValueInputController(1, "Please choose preferred number of factors(>0):");
ivictrl.Validator = new IntegerValueInputController.ZeroOrPositiveIntegerValidator();
if (!Current.Gui.ShowDialog(ivictrl, "Number of factors", false))
{
return;
}
plsMemo.PreferredNumberOfFactors = ivictrl.EnteredContents;
}
/// <summary>
/// Plots the x (spectral) leverage into a graph.
/// </summary>
/// <param name="table">The table with the PLS model data.</param>
public static void PlotXLeverage(Altaxo.Data.DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
return;
}
if (plsMemo.PreferredNumberOfFactors <= 0)
{
QuestPreferredNumberOfFactors(plsMemo);
}
Altaxo.Graph.GUI.IGraphController graphctrl = Current.ProjectService.CreateNewGraph();
PlotXLeverage(table, graphctrl.Doc.Layers[0], plsMemo.PreferredNumberOfFactors);
}
/// <summary>
/// Plots the cross prediction values of all y components invidually in a graph.
/// </summary>
/// <param name="table">The table with the PLS model data.</param>
public static void PlotCrossPredictedVersusActualY(Altaxo.Data.DataTable table)
{
MultivariateContentMemento plsMemo = table.GetTableProperty("Content") as MultivariateContentMemento;
if (plsMemo == null)
{
return;
}
if (plsMemo.PreferredNumberOfFactors <= 0)
{
QuestPreferredNumberOfFactors(plsMemo);
}
for (int nComponent = 0; nComponent < plsMemo.NumberOfConcentrationData; nComponent++)
{
Altaxo.Graph.GUI.IGraphController graphctrl = Current.ProjectService.CreateNewGraph();
PlotCrossPredictedVersusActualY(table, graphctrl.Doc.Layers[0], nComponent, plsMemo.PreferredNumberOfFactors);
}
}
