ConvFit.cpp

#include "MantidQtCustomInterfaces/ConvFit.h"

#include "MantidQtCustomInterfaces/UserInputValidator.h"
#include "MantidQtMantidWidgets/RangeSelector.h"

#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FunctionDomain1D.h"

#include <QDoubleValidator>
#include <QFileInfo>
#include <QMenu>

#include <qwt_plot.h>
#include <qwt_plot_curve.h>

using namespace Mantid::API;

namespace
{
  Mantid::Kernel::Logger g_log("ConvFit");
}

namespace MantidQt
{
namespace CustomInterfaces
{
namespace IDA
{
  ConvFit::ConvFit(QWidget * parent) :
    IDATab(parent),
    m_stringManager(NULL), m_cfTree(NULL),
    m_fixedProps(),
    m_cfInputWS(), m_cfInputWSName(),
    m_confitResFileType()
  {
  }

  void ConvFit::setup()
  {
    // Create Property Managers
    m_stringManager = new QtStringPropertyManager();

    // Create TreeProperty Widget
    m_cfTree = new QtTreePropertyBrowser();
    uiForm().confit_properties->addWidget(m_cfTree);

    // add factories to managers
    m_cfTree->setFactoryForManager(m_blnManager, qtCheckBoxFactory());
    m_cfTree->setFactoryForManager(m_dblManager, doubleEditorFactory());

    // Create Plot Widget
    m_plots["ConvFitPlot"] = new QwtPlot(m_parentWidget);
    m_plots["ConvFitPlot"]->setAxisFont(QwtPlot::xBottom, m_parentWidget->font());
    m_plots["ConvFitPlot"]->setAxisFont(QwtPlot::yLeft, m_parentWidget->font());
    m_plots["ConvFitPlot"]->setCanvasBackground(Qt::white);
    uiForm().confit_plot->addWidget(m_plots["ConvFitPlot"]);

    // Create Range Selectors
    m_rangeSelectors["ConvFitRange"] = new MantidQt::MantidWidgets::RangeSelector(m_plots["ConvFitPlot"]);
    m_rangeSelectors["ConvFitBackRange"] = new MantidQt::MantidWidgets::RangeSelector(m_plots["ConvFitPlot"],
      MantidQt::MantidWidgets::RangeSelector::YSINGLE);
    m_rangeSelectors["ConvFitBackRange"]->setColour(Qt::darkGreen);
    m_rangeSelectors["ConvFitBackRange"]->setRange(0.0, 1.0);
    m_rangeSelectors["ConvFitHWHM"] = new MantidQt::MantidWidgets::RangeSelector(m_plots["ConvFitPlot"]);
    m_rangeSelectors["ConvFitHWHM"]->setColour(Qt::red);

    // Populate Property Widget

    // Option to convolve members
    m_properties["Convolve"] = m_blnManager->addProperty("Convolve");
    m_cfTree->addProperty(m_properties["Convolve"]);
    m_blnManager->setValue(m_properties["Convolve"], true);

    m_properties["FitRange"] = m_grpManager->addProperty("Fitting Range");
    m_properties["StartX"] = m_dblManager->addProperty("StartX");
    m_dblManager->setDecimals(m_properties["StartX"], NUM_DECIMALS);
    m_properties["EndX"] = m_dblManager->addProperty("EndX");
    m_dblManager->setDecimals(m_properties["EndX"], NUM_DECIMALS);
    m_properties["FitRange"]->addSubProperty(m_properties["StartX"]);
    m_properties["FitRange"]->addSubProperty(m_properties["EndX"]);
    m_cfTree->addProperty(m_properties["FitRange"]);

    m_properties["LinearBackground"] = m_grpManager->addProperty("Background");
    m_properties["BGA0"] = m_dblManager->addProperty("A0");
    m_dblManager->setDecimals(m_properties["BGA0"], NUM_DECIMALS);
    m_properties["BGA1"] = m_dblManager->addProperty("A1");
    m_dblManager->setDecimals(m_properties["BGA1"], NUM_DECIMALS);
    m_properties["LinearBackground"]->addSubProperty(m_properties["BGA0"]);
    m_properties["LinearBackground"]->addSubProperty(m_properties["BGA1"]);
    m_cfTree->addProperty(m_properties["LinearBackground"]);

    // Delta Function
    m_properties["DeltaFunction"] = m_grpManager->addProperty("Delta Function");
    m_properties["UseDeltaFunc"] = m_blnManager->addProperty("Use");
    m_properties["DeltaHeight"] = m_dblManager->addProperty("Height");
    m_dblManager->setDecimals(m_properties["DeltaHeight"], NUM_DECIMALS);
    m_properties["DeltaFunction"]->addSubProperty(m_properties["UseDeltaFunc"]);
    m_cfTree->addProperty(m_properties["DeltaFunction"]);

    m_properties["Lorentzian1"] = createLorentzian("Lorentzian 1");
    m_properties["Lorentzian2"] = createLorentzian("Lorentzian 2");

    uiForm().confit_leTempCorrection->setValidator(new QDoubleValidator(m_parentWidget));

    // Connections
    connect(m_rangeSelectors["ConvFitRange"], SIGNAL(minValueChanged(double)), this, SLOT(minChanged(double)));
    connect(m_rangeSelectors["ConvFitRange"], SIGNAL(maxValueChanged(double)), this, SLOT(maxChanged(double)));
    connect(m_rangeSelectors["ConvFitBackRange"], SIGNAL(minValueChanged(double)), this, SLOT(backgLevel(double)));
    connect(m_rangeSelectors["ConvFitHWHM"], SIGNAL(minValueChanged(double)), this, SLOT(hwhmChanged(double)));
    connect(m_rangeSelectors["ConvFitHWHM"], SIGNAL(maxValueChanged(double)), this, SLOT(hwhmChanged(double)));
    connect(m_dblManager, SIGNAL(valueChanged(QtProperty*, double)), this, SLOT(updateRS(QtProperty*, double)));
    connect(m_blnManager, SIGNAL(valueChanged(QtProperty*, bool)), this, SLOT(checkBoxUpdate(QtProperty*, bool)));
    connect(m_dblManager, SIGNAL(propertyChanged(QtProperty*)), this, SLOT(plotGuess(QtProperty*)));
    connect(uiForm().confit_ckTempCorrection, SIGNAL(toggled(bool)), uiForm().confit_leTempCorrection, SLOT(setEnabled(bool)));

    // Have FWHM Range linked to Fit Start/End Range
    connect(m_rangeSelectors["ConvFitRange"], SIGNAL(rangeChanged(double, double)), m_rangeSelectors["ConvFitHWHM"], SLOT(setRange(double, double)));
    m_rangeSelectors["ConvFitHWHM"]->setRange(-1.0,1.0);
    hwhmUpdateRS(0.02);

    typeSelection(uiForm().confit_cbFitType->currentIndex());
    bgTypeSelection(uiForm().confit_cbBackground->currentIndex());

    // Replot input automatically when file / spec no changes
    connect(uiForm().confit_spPlotSpectrum, SIGNAL(valueChanged(int)), this, SLOT(plotInput()));
    connect(uiForm().confit_dsSampleInput, SIGNAL(dataReady(const QString&)), this, SLOT(newDataLoaded(const QString&)));

    connect(uiForm().confit_spSpectraMin, SIGNAL(valueChanged(int)), this, SLOT(specMinChanged(int)));
    connect(uiForm().confit_spSpectraMax, SIGNAL(valueChanged(int)), this, SLOT(specMaxChanged(int)));

    connect(uiForm().confit_cbFitType, SIGNAL(currentIndexChanged(int)), this, SLOT(typeSelection(int)));
    connect(uiForm().confit_cbBackground, SIGNAL(currentIndexChanged(int)), this, SLOT(bgTypeSelection(int)));
    connect(uiForm().confit_pbSingle, SIGNAL(clicked()), this, SLOT(singleFit()));

    // Context menu
    m_cfTree->setContextMenuPolicy(Qt::CustomContextMenu);
    connect(m_cfTree, SIGNAL(customContextMenuRequested(const QPoint &)), this, SLOT(fitContextMenu(const QPoint &)));

    // Tie
    connect(uiForm().confit_cbFitType,SIGNAL(currentIndexChanged(QString)),SLOT(showTieCheckbox(QString)));
    showTieCheckbox( uiForm().confit_cbFitType->currentText() );
  }

  void ConvFit::run()
  {
    if ( m_cfInputWS == NULL )
    {
      g_log.error("No workspace loaded");
      return;
    }

    QString ftype = fitTypeString();
    QString bg = backgroundString();

    if(ftype == "")
    {
      g_log.error("No fit type defined");
    }

    bool useTies = uiForm().confit_ckTieCentres->isChecked();
    QString ties = (useTies ? "True" : "False");

    Mantid::API::CompositeFunction_sptr func = createFunction(useTies);
    std::string function = std::string(func->asString());
    QString stX = m_properties["StartX"]->valueText();
    QString enX = m_properties["EndX"]->valueText();

    QString pyInput =
      "from IndirectDataAnalysis import confitSeq\n"
      "input = '" + m_cfInputWSName + "'\n"
      "func = r'" + QString::fromStdString(function) + "'\n"
      "startx = " + stX + "\n"
      "endx = " + enX + "\n"
      "plot = '" + uiForm().confit_cbPlotOutput->currentText() + "'\n"
      "ties = " + ties + "\n"
      "specMin = " + uiForm().confit_spSpectraMin->text() + "\n"
      "specMax = " + uiForm().confit_spSpectraMax->text() + "\n"
      "save = " + (uiForm().confit_ckSaveSeq->isChecked() ? "True\n" : "False\n");

    if ( m_blnManager->value(m_properties["Convolve"]) ) pyInput += "convolve = True\n";
    else pyInput += "convolve = False\n";

    if ( uiForm().confit_ckVerbose->isChecked() ) pyInput += "verbose = True\n";
    else pyInput += "verbose = False\n";

    QString temperature = uiForm().confit_leTempCorrection->text();
    bool useTempCorrection = (!temperature.isEmpty() && uiForm().confit_ckTempCorrection->isChecked());
    if ( useTempCorrection )
    {
      pyInput += "temp=" + temperature + "\n";
    }
    else
    {
      pyInput += "temp=None\n";
    }

    pyInput +=
      "bg = '" + bg + "'\n"
      "ftype = '" + ftype + "'\n"