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MultiDatasetFit.cpp
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MultiDatasetFit.cpp
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#include "MantidQtCustomInterfaces/MultiDatasetFit.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/MultiDomainFunction.h"
#include "MantidAPI/ParameterTie.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/ArrayBoundedValidator.h"
#include "MantidKernel/Exception.h"
#include "MantidQtAPI/AlgorithmRunner.h"
#include "MantidQtMantidWidgets/FitOptionsBrowser.h"
#include "MantidQtMantidWidgets/FunctionBrowser.h"
#include "MantidQtMantidWidgets/RangeSelector.h"
#include "qtpropertybrowser.h"
#include <QDialog>
#include <QHeaderView>
#include <QMessageBox>
#include <QToolBar>
#include <QActionGroup>
#include <QSplitter>
#include <QSettings>
#include <QMenu>
#include <boost/make_shared.hpp>
#include <qwt_plot_curve.h>
#include <qwt_plot_zoomer.h>
#include <qwt_plot_panner.h>
#include <qwt_plot_magnifier.h>
#include <qwt_scale_div.h>
#include <Poco/ActiveResult.h>
#include <vector>
#include <algorithm>
namespace{
// columns in the data table
const int wsColumn = 0;
const int wsIndexColumn = 1;
const int startXColumn = 2;
const int endXColumn = 3;
// tool options pages
const int zoomToolPage = 0;
const int panToolPage = 1;
const int rangeToolPage = 2;
// colours of the fitting range selector
QColor rangeSelectorDisabledColor(Qt::darkGray);
QColor rangeSelectorEnabledColor(Qt::blue);
}
namespace MantidQt
{
namespace CustomInterfaces
{
/*==========================================================================================*/
/* AddWorkspaceDialog */
/*==========================================================================================*/
AddWorkspaceDialog::AddWorkspaceDialog(QWidget *parent):QDialog(parent)
{
m_uiForm.setupUi(this);
// populate the combo box with names of eligible workspaces
QStringList workspaceNames;
auto wsNames = Mantid::API::AnalysisDataService::Instance().getObjectNames();
for(auto name = wsNames.begin(); name != wsNames.end(); ++name)
{
auto ws = Mantid::API::AnalysisDataService::Instance().retrieveWS<Mantid::API::MatrixWorkspace>( *name );
if ( ws )
{
workspaceNames << QString::fromStdString( *name );
}
}
connect(m_uiForm.cbWorkspaceName,SIGNAL(currentIndexChanged(const QString&)),this,SLOT(workspaceNameChanged(const QString&)));
m_uiForm.cbWorkspaceName->addItems( workspaceNames );
connect(m_uiForm.cbAllSpectra,SIGNAL(stateChanged(int)),this,SLOT(selectAllSpectra(int)));
}
/**
* Slot. Reacts on change of workspace name in the selection combo box.
* @param wsName :: Name of newly selected workspace.
*/
void AddWorkspaceDialog::workspaceNameChanged(const QString& wsName)
{
auto ws = Mantid::API::AnalysisDataService::Instance().retrieveWS<Mantid::API::MatrixWorkspace>( wsName.toStdString() );
if ( ws )
{
int maxValue = static_cast<int>(ws->getNumberHistograms()) - 1;
if ( maxValue < 0 ) maxValue = 0;
m_maxIndex = maxValue;
if ( m_uiForm.cbAllSpectra->isChecked() )
{
m_uiForm.leWSIndices->setText(QString("0-%1").arg(m_maxIndex));
}
else
{
m_uiForm.leWSIndices->clear();
}
}
else
{
m_maxIndex = 0;
m_uiForm.leWSIndices->clear();
m_uiForm.cbAllSpectra->setChecked(false);
}
}
/**
* Slot. Called when "All Spectra" check box changes its state
*/
void AddWorkspaceDialog::selectAllSpectra(int state)
{
if ( state == Qt::Checked )
{
m_uiForm.leWSIndices->setText(QString("0-%1").arg(m_maxIndex));
m_uiForm.leWSIndices->setEnabled(false);
}
else
{
m_uiForm.leWSIndices->setEnabled(true);
}
}
/**
* Called on close if selection accepted.
*/
void AddWorkspaceDialog::accept()
{
m_workspaceName = m_uiForm.cbWorkspaceName->currentText();
m_wsIndices.clear();
QString indexInput = m_uiForm.leWSIndices->text();
if ( !m_workspaceName.isEmpty() && !indexInput.isEmpty() )
{
auto validator = boost::make_shared<Mantid::Kernel::ArrayBoundedValidator<int>>(0,m_maxIndex);
Mantid::Kernel::ArrayProperty<int> prop("Indices",validator);
std::string err = prop.setValue( indexInput.toStdString() );
if ( err.empty() )
{
m_wsIndices = prop;
}
else
{
QMessageBox::warning(this, "MantidPlot - Error", QString("Some of the indices are outside the allowed range [0,%1]").arg(m_maxIndex));
}
}
QDialog::accept();
}
/**
* Called on close if selection rejected.
*/
void AddWorkspaceDialog::reject()
{
m_workspaceName.clear();
m_wsIndices.clear();
QDialog::reject();
}
/*==========================================================================================*/
/* DatasetPlotData */
/*==========================================================================================*/
/**
* Contains graphics for a single data set: fitting data, claculated result, difference.
*/
class DatasetPlotData
{
public:
DatasetPlotData(const QString& wsName, int wsIndex, const QString& outputWSName);
~DatasetPlotData();
void show(QwtPlot *plot);
void hide();
QwtDoubleRect boundingRect() const;
private:
// no copying
DatasetPlotData(const DatasetPlotData&);
DatasetPlotData& operator=(const DatasetPlotData&);
void setData(const Mantid::API::MatrixWorkspace *ws, int wsIndex, const Mantid::API::MatrixWorkspace *outputWS);
QwtPlotCurve *m_dataCurve;
QwtPlotCurve *m_calcCurve;
QwtPlotCurve *m_diffCurve;
};
/**
* Constructor.
* @param wsName :: Name of a MatrixWorkspace with the data for fitting.
* @param wsIndex :: Workspace index of a spectrum in wsName to plot.
* @param outputWSName :: Name of the Fit's output workspace containing at least 3 spectra:
* #0 - original data (the same as in wsName[wsIndex]), #1 - calculated data, #3 - difference.
* If empty - ignore this workspace.
*/
DatasetPlotData::DatasetPlotData(const QString& wsName, int wsIndex, const QString& outputWSName):
m_dataCurve(new QwtPlotCurve(wsName + QString(" (%1)").arg(wsIndex))),
m_calcCurve(NULL),
m_diffCurve(NULL)
{
// get the data workspace
auto ws = Mantid::API::AnalysisDataService::Instance().retrieveWS<Mantid::API::MatrixWorkspace>( wsName.toStdString() );
if ( !ws )
{
QString mess = QString("Workspace %1 either doesn't exist or isn't a MatrixWorkspace").arg(wsName);
throw std::runtime_error( mess.toStdString() );
}
// check that the index is in range
if ( static_cast<size_t>(wsIndex) >= ws->getNumberHistograms() )
{
QString mess = QString("Spectrum %1 doesn't exist in workspace %2").arg(wsIndex).arg(wsName);
throw std::runtime_error( mess.toStdString() );
}
// get the data workspace
Mantid::API::MatrixWorkspace_sptr outputWS;
if ( !outputWSName.isEmpty() )
{
std::string stdOutputWSName = outputWSName.toStdString();
if ( Mantid::API::AnalysisDataService::Instance().doesExist(stdOutputWSName) )
{
try
{
outputWS = Mantid::API::AnalysisDataService::Instance().retrieveWS<Mantid::API::MatrixWorkspace>( stdOutputWSName );
}
catch ( Mantid::Kernel::Exception::NotFoundError& )
{
QString mess = QString("Workspace %1 either doesn't exist or isn't a MatrixWorkspace").arg(outputWSName);
throw std::runtime_error( mess.toStdString() );
}
}
}
// create the curves
setData( ws.get(), wsIndex, outputWS.get() );
}
/**
* Destructor.
*/
DatasetPlotData::~DatasetPlotData()
{
m_dataCurve->detach();
delete m_dataCurve;
if ( m_calcCurve )
{
m_calcCurve->detach();
delete m_calcCurve;
}
if ( m_diffCurve )
{
m_diffCurve->detach();
delete m_diffCurve;
}
}
/**
* Set the data to the curves.
* @param ws :: A Fit's input workspace.
* @param wsIndex :: Workspace index of a spectrum to costruct the plot data for.
* @param outputWS :: The output workspace from Fit containing the calculated spectrum.
*/
void DatasetPlotData::setData(const Mantid::API::MatrixWorkspace *ws, int wsIndex, const Mantid::API::MatrixWorkspace *outputWS)
{
bool haveFitCurves = outputWS && outputWS->getNumberHistograms() >= 3;
std::vector<double> xValues = ws->readX(wsIndex);
if ( ws->isHistogramData() )
{
auto xend = xValues.end() - 1;
for(auto x = xValues.begin(); x != xend; ++x)
{
*x = (*x + *(x+1))/2;
}
xValues.pop_back();
}
m_dataCurve->setData( xValues.data(), ws->readY(wsIndex).data(), static_cast<int>(xValues.size()) );
if ( haveFitCurves )
{
auto xBegin = std::lower_bound(xValues.begin(),xValues.end(), outputWS->readX(1).front());
if ( xBegin == xValues.end() ) return;
int i0 = static_cast<int>(std::distance(xValues.begin(),xBegin));
int n = static_cast<int>(outputWS->readY(1).size());
if ( i0 + n > static_cast<int>(xValues.size()) ) return;
m_calcCurve = new QwtPlotCurve("calc");
m_calcCurve->setData( xValues.data() + i0, outputWS->readY(1).data(), n );
QPen penCalc("red");
m_calcCurve->setPen(penCalc);
m_diffCurve = new QwtPlotCurve("diff");
m_diffCurve->setData( xValues.data() + i0, outputWS->readY(2).data(), n );
QPen penDiff("green");
m_diffCurve->setPen(penDiff);
}
}
/**
* Show the curves on a plot.
*/
void DatasetPlotData::show(QwtPlot *plot)
{
m_dataCurve->attach(plot);
if ( m_calcCurve )
{
m_calcCurve->attach(plot);
}
if ( m_diffCurve )
{
m_diffCurve->attach(plot);
}
}
/**
* Hide the curves from any plot.
*/
void DatasetPlotData::hide()
{
m_dataCurve->detach();
if ( m_calcCurve )
{
m_calcCurve->detach();
}
if ( m_diffCurve )
{
m_diffCurve->detach();
}
}
/**
* Get the bounding rect including all plotted data.
*/
QwtDoubleRect DatasetPlotData::boundingRect() const
{
QwtDoubleRect rect = m_dataCurve->boundingRect();
if ( m_calcCurve )
{
rect = rect.united( m_calcCurve->boundingRect() );
}
if ( m_diffCurve )
{
rect = rect.united( m_diffCurve->boundingRect() );
}
return rect;
}
/*==========================================================================================*/
/* PlotController */
/*==========================================================================================*/
PlotController::PlotController(MultiDatasetFit *parent,
QwtPlot *plot,
QTableWidget *table,
QComboBox *plotSelector,
QPushButton *prev,
QPushButton *next):
QObject(parent),m_plot(plot),m_table(table),m_plotSelector(plotSelector),m_prevPlot(prev),m_nextPlot(next),m_currentIndex(-1)
{
connect(prev,SIGNAL(clicked()),this,SLOT(prevPlot()));
connect(next,SIGNAL(clicked()),this,SLOT(nextPlot()));
connect(plotSelector,SIGNAL(currentIndexChanged(int)),this,SLOT(plotDataSet(int)));
m_zoomer = new QwtPlotZoomer(QwtPlot::xBottom, QwtPlot::yLeft,
QwtPicker::DragSelection | QwtPicker::CornerToCorner, QwtPicker::AlwaysOff, plot->canvas());
m_panner = new QwtPlotPanner( plot->canvas() );
m_magnifier = new QwtPlotMagnifier( plot->canvas() );
m_rangeSelector = new MantidWidgets::RangeSelector(m_plot);
m_rangeSelector->setRange( -1e30, 1e30 );
m_rangeSelector->setMinimum(10);
m_rangeSelector->setMaximum(990);
connect(m_rangeSelector,SIGNAL(selectionChanged(double, double)),this,SLOT(updateFittingRange(double, double)));
disableAllTools();
m_plot->canvas()->installEventFilter(this);
}
PlotController::~PlotController()
{
m_plotData.clear();
}
bool PlotController::eventFilter(QObject *, QEvent *evn)
{
if ( evn->type() == QEvent::MouseButtonDblClick )
{
if ( isRangeSelectorEnabled() )
{
resetRange();
}
else if ( isZoomEnabled() )
{
zoomToRange();
}
}
return false;
}
/**
* Slot. Respond to changes in the data table.
*/
void PlotController::tableUpdated()
{
m_plotSelector->blockSignals(true);
m_plotSelector->clear();
int rowCount = m_table->rowCount();
for(int row = 0; row < rowCount; ++row)
{
QString itemText = QString("%1 (%2)").arg(m_table->item(row,wsColumn)->text(),m_table->item(row,wsIndexColumn)->text());
m_plotSelector->insertItem( itemText );
}
m_plotData.clear();
m_currentIndex = -1;
m_plotSelector->blockSignals(false);
plotDataSet( m_plotSelector->currentIndex() );
}
/**
* Display the previous plot if there is one.
*/
void PlotController::prevPlot()
{
int index = m_plotSelector->currentIndex();
if ( index > 0 )
{
--index;
m_plotSelector->setCurrentIndex( index );
}
}
/**
* Display the next plot if there is one.
*/
void PlotController::nextPlot()
{
int index = m_plotSelector->currentIndex();
if ( index < m_plotSelector->count() - 1 )
{
++index;
m_plotSelector->setCurrentIndex( index );
}
}
/// Get a pointer to a dataset data.
/// @param index :: Index of a dataset.
boost::shared_ptr<DatasetPlotData> PlotController::getData(int index)
{
if ( !m_plotData.contains(index) )
{
QString wsName = m_table->item( index, wsColumn )->text();
int wsIndex = m_table->item( index, wsIndexColumn )->text().toInt();
QString outputWorkspaceName = owner()->getOutputWorkspaceName();
if ( !outputWorkspaceName.isEmpty() )
{
outputWorkspaceName += QString("_%1").arg(index);
}
try
{
auto value = boost::make_shared<DatasetPlotData>( wsName, wsIndex, outputWorkspaceName );
m_plotData.insert(index, value );
return value;
}
catch(std::exception& e)
{
QMessageBox::critical(owner(),"MantidPlot - Error",e.what());
clear();
owner()->checkSpectra();
m_plot->replot();
return boost::shared_ptr<DatasetPlotData>();
}
}
return m_plotData[index];
}
/**
* Plot a data set.
* @param index :: Index (row) of the data set in the table.
*/
void PlotController::plotDataSet(int index)
{
if ( index < 0 || index >= m_table->rowCount() )
{
clear();
owner()->checkSpectra();
m_plot->replot();
return;
}
bool resetZoom = m_plotData.isEmpty();
auto plotData = getData(index);
// hide the previously shown data
if ( m_currentIndex > -1 )
{
m_plotData[m_currentIndex]->hide();
}
// try to keep the zooming from the previous view
// but if zoom rect doesn't show any data reset zoom base to show all
auto dataRect = m_plotData[index]->boundingRect();
auto zoomRect = m_zoomer->zoomRect();
if ( !zoomRect.intersects( dataRect ) )
{
m_plot->setAxisAutoScale(QwtPlot::xBottom);
m_plot->setAxisAutoScale(QwtPlot::yLeft);
}
// change the current data set index
m_currentIndex = index;
updateRange(index);
// show the new data
plotData->show( m_plot );
m_plot->replot();
// the idea is to set the zoom base (the largest view) to the data's bounding rect
// but it looks like the base is set to the union of dataRect and current zoomRect
m_zoomer->setZoomBase( dataRect );
// if it's first data set ever set the zoomer's base
// if it's not done the base is set to some default rect that has nothing to do with the data
if ( resetZoom )
{
m_zoomer->setZoomBase(true);
}
emit currentIndexChanged( index );
}
void PlotController::clear()
{
m_plotData.clear();
}
void PlotController::update()
{
plotDataSet( m_currentIndex );
}
/**
* Reset the fitting range to the current limits on the x axis.
*/
void PlotController::resetRange()
{
QwtScaleMap xMap = m_plot->canvasMap(QwtPlot::xBottom);
double startX = xMap.s1();
double endX = xMap.s2();
m_rangeSelector->setMinimum( startX );
m_rangeSelector->setMaximum( endX );
}
/**
* Set zooming to the current fitting range.
*/
void PlotController::zoomToRange()
{
QwtDoubleRect rect = m_zoomer->zoomRect();
rect.setX( m_rangeSelector->getMinimum() );
rect.setRight( m_rangeSelector->getMaximum() );
m_zoomer->zoom( rect );
}
/**
* Disable all plot tools. It is a helper method
* to simplify switchig between tools.
*/
void PlotController::disableAllTools()
{
m_zoomer->setEnabled(false);
m_panner->setEnabled(false);
m_magnifier->setEnabled(false);
m_rangeSelector->setEnabled(false);
m_rangeSelector->setColour(rangeSelectorDisabledColor);
}
template<class Tool>
void PlotController::enableTool(Tool* tool, int cursor)
{
disableAllTools();
tool->setEnabled(true);
m_plot->canvas()->setCursor(QCursor(static_cast<Qt::CursorShape>(cursor)));
m_plot->replot();
owner()->showPlotInfo();
}
/**
* Enable zooming tool.
*/
void PlotController::enableZoom()
{
enableTool(m_zoomer,Qt::CrossCursor);
}
/**
* Enable panning tool.
*/
void PlotController::enablePan()
{
enableTool(m_panner,Qt::pointingHandCursor);
m_magnifier->setEnabled(true);
}
/**
* Enable range selector tool.
*/
void PlotController::enableRange()
{
enableTool(m_rangeSelector,Qt::pointingHandCursor);
m_rangeSelector->setColour(rangeSelectorEnabledColor);
m_plot->replot();
}
bool PlotController::isZoomEnabled() const
{
return m_zoomer->isEnabled();
}
bool PlotController::isPanEnabled() const
{
return m_panner->isEnabled();
}
bool PlotController::isRangeSelectorEnabled() const
{
return m_rangeSelector->isEnabled();
}
/// Signal others that fitting range has been updated.
void PlotController::updateFittingRange(double startX, double endX)
{
emit fittingRangeChanged(m_currentIndex, startX, endX);
}
void PlotController::updateRange(int index)
{
if ( index >= 0 && index == m_currentIndex )
{
const double startX = m_table->item(index,startXColumn)->text().toDouble();
const double endX = m_table->item(index,endXColumn)->text().toDouble();
m_rangeSelector->blockSignals(true);
m_rangeSelector->setMinimum(startX);
m_rangeSelector->setMaximum(endX);
m_rangeSelector->blockSignals(false);
}
}
/*==========================================================================================*/
/* EditLocalParameterDialog */
/*==========================================================================================*/
/// Constructor
/// @param parent :: Parent widget.
/// @param index :: Index of the spectrum which parameter is edited.
/// @param fixed :: Is the parameter fixed initially?
LocalParameterEditor::LocalParameterEditor(QWidget *parent, int index, bool fixed):
QWidget(parent), m_index(index),m_fixed(fixed)
{
auto layout = new QHBoxLayout(this);
layout->setMargin(0);
layout->setSpacing(0);
layout->setContentsMargins(0,0,0,0);
m_editor = new QLineEdit(parent);
m_editor->setSizePolicy(QSizePolicy::Expanding,QSizePolicy::Expanding);
auto button = new QPushButton("Set");
button->setSizePolicy(QSizePolicy::Minimum,QSizePolicy::Expanding);
this->setFocusPolicy(Qt::NoFocus);
layout->addWidget(m_editor);
layout->addWidget(button);
layout->setStretch(0,1);
layout->setStretch(1,0);
this->setFocusProxy(m_editor);
this->setFocusPolicy(Qt::StrongFocus);
auto setMenu = new QMenu(this);
QAction *action = new QAction("Set to all",this);
action->setToolTip("Set all parameters to this value");
connect(action,SIGNAL(activated()),this,SLOT(buttonPressed()));
setMenu->addAction(action);
m_fixAction = new QAction(m_fixed? "Unfix" : "Fix", this);
m_fixAction->setToolTip("Fix value of this parameter");
connect(m_fixAction,SIGNAL(activated()),this,SLOT(fixParameter()));
setMenu->addAction(m_fixAction);
button->setMenu(setMenu);
}
void LocalParameterEditor::buttonPressed()
{
double value = m_editor->text().toDouble();
emit setAllValues(value);
}
void LocalParameterEditor::fixParameter()
{
m_fixed = !m_fixed;
m_fixAction->setText( m_fixed? "Unfix" : "Fix" );
emit fixParameter(m_index, m_fixed);
}
/*==========================================================================================*/
LocalParameterItemDelegate::LocalParameterItemDelegate(EditLocalParameterDialog *parent):
QStyledItemDelegate(parent),
m_currentEditor(NULL)
{
}
QWidget* LocalParameterItemDelegate::createEditor(QWidget * parent, const QStyleOptionViewItem & option, const QModelIndex & index) const
{
m_currentEditor = new LocalParameterEditor(parent,index.row(), owner()->isFixed(index.row()));
connect(m_currentEditor,SIGNAL(setAllValues(double)),this,SIGNAL(setAllValues(double)));
connect(m_currentEditor,SIGNAL(fixParameter(int,bool)),this,SIGNAL(fixParameter(int,bool)));
m_currentEditor->installEventFilter(const_cast<LocalParameterItemDelegate*>(this));
return m_currentEditor;
}
void LocalParameterItemDelegate::setEditorData(QWidget * editor, const QModelIndex & index) const
{
QStyledItemDelegate::setEditorData(editor->layout()->itemAt(0)->widget(), index);
}
void LocalParameterItemDelegate::setModelData(QWidget * editor, QAbstractItemModel * model, const QModelIndex & index) const
{
QStyledItemDelegate::setModelData(editor->layout()->itemAt(0)->widget(), model, index);
}
bool LocalParameterItemDelegate::eventFilter(QObject * obj, QEvent * ev)
{
if ( ev->type() == QEvent::WindowDeactivate )
{
emit commitData(m_currentEditor);
return true;
}
return QStyledItemDelegate::eventFilter(obj,ev);
}
/*==========================================================================================*/
EditLocalParameterDialog::EditLocalParameterDialog(MultiDatasetFit *multifit, const QString &parName):
QDialog(multifit),m_parName(parName)
{
m_uiForm.setupUi(this);
QHeaderView *header = m_uiForm.tableWidget->horizontalHeader();
header->setResizeMode(0,QHeaderView::Stretch);
header->setResizeMode(1,QHeaderView::Stretch);
connect(m_uiForm.tableWidget,SIGNAL(cellChanged(int,int)),this,SLOT(valueChanged(int,int)));
auto n = multifit->getNumberOfSpectra();
for(int i = 0; i < n; ++i)
{
double value = multifit->getLocalParameterValue(parName,i);
m_values.push_back(value);
bool fixed = multifit->isLocalParameterFixed(parName,i);
m_fixes.push_back(fixed);
m_uiForm.tableWidget->insertRow(i);
auto cell = new QTableWidgetItem( QString("f%1.").arg(i) + parName );
m_uiForm.tableWidget->setItem( i, 0, cell );
cell = new QTableWidgetItem( QString::number(value) );
m_uiForm.tableWidget->setItem( i, 1, cell );
}
auto deleg = new LocalParameterItemDelegate(this);
m_uiForm.tableWidget->setItemDelegateForColumn(1,deleg);
connect(deleg,SIGNAL(setAllValues(double)),this,SLOT(setAllValues(double)));
connect(deleg,SIGNAL(fixParameter(int,bool)),this,SLOT(fixParameter(int,bool)));
}
/**
* Slot. Called when a value changes.
* @param row :: Row index of the changed cell.
* @param col :: Column index of the changed cell.
*/
void EditLocalParameterDialog::valueChanged(int row, int col)
{
if ( col == 1 )
{
QString text = m_uiForm.tableWidget->item(row,col)->text();
try
{
m_values[row] = text.toDouble();
}
catch(std::exception&)
{
// restore old value
m_uiForm.tableWidget->item(row,col)->setText( QString::number(m_values[row]) );
}
}
}
void EditLocalParameterDialog::setAllValues(double value)
{
int n = m_values.size();
for(int i = 0; i < n; ++i)
{
m_values[i] = value;
m_uiForm.tableWidget->item(i,1)->setText( QString::number(value) );
}
}
QList<double> EditLocalParameterDialog::getValues() const
{
return m_values;
}
QList<bool> EditLocalParameterDialog::getFixes() const
{
return m_fixes;
}
void EditLocalParameterDialog::fixParameter(int index, bool fix)
{
m_fixes[index] = fix;
}
/*==========================================================================================*/
/* MultiDatasetFit */
/*==========================================================================================*/
//Register the class with the factory
DECLARE_SUBWINDOW(MultiDatasetFit);
/**
* Constructor
* @param parent :: The parent widget
*/
MultiDatasetFit::MultiDatasetFit(QWidget *parent)
:UserSubWindow(parent)
{
}
MultiDatasetFit::~MultiDatasetFit()
{
saveSettings();
m_plotController->clear();
}
/**
* Initilize the layout.
*/
void MultiDatasetFit::initLayout()
{
m_uiForm.setupUi(this);
m_uiForm.hSplitter->setStretchFactor(0,0);
m_uiForm.hSplitter->setStretchFactor(1,1);
m_uiForm.vSplitter->setStretchFactor(0,0);
m_uiForm.vSplitter->setStretchFactor(1,1);
QHeaderView *header = m_uiForm.dataTable->horizontalHeader();
header->setResizeMode(0,QHeaderView::Stretch);
header->setResizeMode(1,QHeaderView::Fixed);
m_uiForm.btnRemove->setEnabled( false );
connect(m_uiForm.btnFit,SIGNAL(clicked()),this,SLOT(fit()));
m_dataController = new DataController(this, m_uiForm.dataTable);
connect(m_dataController,SIGNAL(hasSelection(bool)), m_uiForm.btnRemove, SLOT(setEnabled(bool)));
connect(m_uiForm.btnAddWorkspace,SIGNAL(clicked()),m_dataController,SLOT(addWorkspace()));
connect(m_uiForm.btnRemove,SIGNAL(clicked()),m_dataController,SLOT(removeSelectedSpectra()));
connect(m_uiForm.cb_applyRangeToAll,SIGNAL(toggled(bool)),m_dataController,SLOT(setFittingRangeGlobal(bool)));
m_plotController = new PlotController(this,
m_uiForm.plot,
m_uiForm.dataTable,
m_uiForm.cbPlotSelector,
m_uiForm.btnPrev,
m_uiForm.btnNext);
connect(m_dataController,SIGNAL(dataTableUpdated()),m_plotController,SLOT(tableUpdated()));
connect(m_dataController,SIGNAL(dataSetUpdated(int)),m_plotController,SLOT(updateRange(int)));
connect(m_plotController,SIGNAL(fittingRangeChanged(int, double, double)),m_dataController,SLOT(setFittingRange(int, double, double)));
QSplitter* splitter = new QSplitter(Qt::Vertical,this);
m_functionBrowser = new MantidQt::MantidWidgets::FunctionBrowser(NULL, true);
splitter->addWidget( m_functionBrowser );
connect(m_functionBrowser,SIGNAL(localParameterButtonClicked(const QString&)),this,SLOT(editLocalParameterValues(const QString&)));
connect(m_functionBrowser,SIGNAL(functionStructureChanged()),this,SLOT(reset()));
connect(m_plotController,SIGNAL(currentIndexChanged(int)),m_functionBrowser,SLOT(setCurrentDataset(int)));
connect(m_dataController,SIGNAL(spectraRemoved(QList<int>)),m_functionBrowser,SLOT(removeDatasets(QList<int>)));
connect(m_dataController,SIGNAL(spectraAdded(int)),m_functionBrowser,SLOT(addDatasets(int)));
m_fitOptionsBrowser = new MantidQt::MantidWidgets::FitOptionsBrowser(NULL);
splitter->addWidget( m_fitOptionsBrowser );
m_uiForm.browserLayout->addWidget( splitter );
createPlotToolbar();
// filters
m_functionBrowser->installEventFilter( this );
m_fitOptionsBrowser->installEventFilter( this );
m_uiForm.plot->installEventFilter( this );
m_uiForm.dataTable->installEventFilter( this );
m_plotController->enableZoom();
showInfo( "Add some data, define fitting function" );
loadSettings();
}
void MultiDatasetFit::createPlotToolbar()
{
// ----- Main tool bar --------
auto toolBar = new QToolBar(this);
toolBar->setIconSize(QSize(16,16));
auto group = new QActionGroup(this);
auto action = new QAction(this);
action->setIcon(QIcon(":/MultiDatasetFit/icons/zoom.png"));
action->setCheckable(true);
action->setChecked(true);
action->setToolTip("Zooming tool");
connect(action,SIGNAL(triggered()),this,SLOT(enableZoom()));
group->addAction(action);
action = new QAction(this);
action->setIcon(QIcon(":/MultiDatasetFit/icons/panning.png"));
action->setCheckable(true);
action->setToolTip("Panning tool");
connect(action,SIGNAL(triggered()),this,SLOT(enablePan()));
group->addAction(action);
action = new QAction(this);
action->setIcon(QIcon(":/MultiDatasetFit/icons/range.png"));
action->setCheckable(true);
action->setToolTip("Set fitting range");
connect(action,SIGNAL(triggered()),this,SLOT(enableRange()));
group->addAction(action);
toolBar->addActions(group->actions());
m_uiForm.horizontalLayout->insertWidget(3,toolBar);
}
/**
* Create a multi-domain function to fit all the spectra in the data table.
*/
boost::shared_ptr<Mantid::API::IFunction> MultiDatasetFit::createFunction() const
{
return m_functionBrowser->getGlobalFunction();
}
/**
* Run the fitting algorithm.
*/
void MultiDatasetFit::fit()
{
if ( !m_functionBrowser->hasFunction() )
{
QMessageBox::warning( this, "MantidPlot - Warning","Function wasn't set." );
return;
}
try
{
auto fun = createFunction();
auto fit = Mantid::API::AlgorithmManager::Instance().create("Fit");
fit->initialize();
fit->setProperty("Function", fun );
fit->setPropertyValue("InputWorkspace", getWorkspaceName(0));
fit->setProperty("WorkspaceIndex", getWorkspaceIndex(0));
auto range = getFittingRange(0);
fit->setProperty( "StartX", range.first );
fit->setProperty( "EndX", range.second );
int n = getNumberOfSpectra();
for(int ispec = 1; ispec < n; ++ispec)
{
std::string suffix = boost::lexical_cast<std::string>(ispec);
fit->setPropertyValue( "InputWorkspace_" + suffix, getWorkspaceName(ispec) );
fit->setProperty( "WorkspaceIndex_" + suffix, getWorkspaceIndex(ispec) );
auto range = getFittingRange(ispec);
fit->setProperty( "StartX_" + suffix, range.first );
fit->setProperty( "EndX_" + suffix, range.second );
}
m_fitOptionsBrowser->copyPropertiesToAlgorithm(*fit);
m_outputWorkspaceName = m_fitOptionsBrowser->getProperty("Output").toStdString();
if ( m_outputWorkspaceName.empty() )
{
m_outputWorkspaceName = "out";
fit->setPropertyValue("Output",m_outputWorkspaceName);
m_fitOptionsBrowser->setProperty("Output","out");
}
m_outputWorkspaceName += "_Workspace";
m_fitRunner.reset( new API::AlgorithmRunner() );
connect( m_fitRunner.get(),SIGNAL(algorithmComplete(bool)), this, SLOT(finishFit(bool)), Qt::QueuedConnection );
m_fitRunner->startAlgorithm(fit);