From d4bf294fcb4005adaab04fa7527f3e51a6a04069 Mon Sep 17 00:00:00 2001
From: Dan Nixon <dan@dan-nixon.com>
Date: Mon, 24 Nov 2014 16:24:42 +0000
Subject: [PATCH] Range and preview spectrum selectors on IDA
Refs #10626
---
.../inc/MantidQtCustomInterfaces/ConvFit.h | 4 +-
.../inc/MantidQtCustomInterfaces/FuryFit.h | 5 +-
.../IndirectDataAnalysis.ui | 97 ++-----
.../inc/MantidQtCustomInterfaces/MSDFit.h | 4 +-
.../MantidQt/CustomInterfaces/src/ConvFit.cpp | 125 +++++----
.../MantidQt/CustomInterfaces/src/FuryFit.cpp | 241 ++++++++----------
.../MantidQt/CustomInterfaces/src/MSDFit.cpp | 38 ++-
7 files changed, 238 insertions(+), 276 deletions(-)
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ConvFit.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ConvFit.h
index fa12f02b47c..7a3b8fe60ab 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ConvFit.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ConvFit.h
@@ -30,10 +30,12 @@ namespace IDA
private slots:
void typeSelection(int index);
void bgTypeSelection(int index);
- void newDataLoaded();
+ void newDataLoaded(const QString wsName);
void plotInput();
void plotGuess(QtProperty*);
void singleFit();
+ void specMinChanged(int value);
+ void specMaxChanged(int value);
void minChanged(double);
void maxChanged(double);
void backgLevel(double);
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/FuryFit.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/FuryFit.h
index a85db056ce0..2d30bde7ff6 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/FuryFit.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/FuryFit.h
@@ -38,7 +38,10 @@ namespace IDA
private slots:
void typeSelection(int index);
+ void newDataLoaded(const QString wsName);
void plotInput();
+ void specMinChanged(int value);
+ void specMaxChanged(int value);
void xMinSelected(double val);
void xMaxSelected(double val);
void backgroundSelected(double val);
@@ -57,7 +60,7 @@ namespace IDA
void setDefaultParameters(const QString& name);
QString fitTypeString() const;
void constrainIntensities(Mantid::API::CompositeFunction_sptr func);
-
+
QtStringPropertyManager* m_stringManager;
QtTreePropertyBrowser* m_ffTree; ///< FuryFit Property Browser
QtDoublePropertyManager* m_ffRangeManager; ///< StartX and EndX for FuryFit
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataAnalysis.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataAnalysis.ui
index 33f0dd359c9..8f52c4665e7 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataAnalysis.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/IndirectDataAnalysis.ui
@@ -561,83 +561,31 @@
<property name="title">
<string>Input</string>
</property>
- <layout class="QHBoxLayout" name="furyfit_layoutInput">
+ <layout class="QVBoxLayout" name="verticalLayout_7">
<item>
- <widget class="QComboBox" name="furyfit_cbInputType">
- <item>
- <property name="text">
- <string>File</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Workspace</string>
- </property>
- </item>
- </widget>
- </item>
- <item>
- <widget class="QStackedWidget" name="furyfit_swInput">
+ <widget class="MantidQt::MantidWidgets::DataSelector" name="furyfit_dsSampleInput" native="true">
<property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Maximum">
+ <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
<horstretch>0</horstretch>
<verstretch>0</verstretch>
</sizepolicy>
</property>
- <property name="currentIndex">
- <number>0</number>
+ <property name="workspaceSuffixes" stdset="0">
+ <stringlist>
+ <string>_iqt</string>
+ </stringlist>
+ </property>
+ <property name="fileBrowserSuffixes" stdset="0">
+ <stringlist>
+ <string>_iqt.nxs</string>
+ </stringlist>
+ </property>
+ <property name="showLoad" stdset="0">
+ <bool>false</bool>
+ </property>
+ <property name="autoLoad" stdset="0">
+ <bool>true</bool>
</property>
- <widget class="QWidget" name="furyfit_page_inputFile">
- <layout class="QHBoxLayout" name="horizontalLayout_19">
- <item>
- <widget class="MantidQt::MantidWidgets::MWRunFiles" name="furyfit_inputFile" native="true">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>41</verstretch>
- </sizepolicy>
- </property>
- <property name="findRunFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="label" stdset="0">
- <string/>
- </property>
- <property name="multipleFiles" stdset="0">
- <bool>false</bool>
- </property>
- <property name="fileExtensions" stdset="0">
- <stringlist>
- <string>_iqt.nxs</string>
- </stringlist>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="furyfit_pbPlotInput">
- <property name="text">
- <string>Plot Input</string>
- </property>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="furyfit_page_inputWorkspace">
- <layout class="QHBoxLayout" name="horizontalLayout_12">
- <item>
- <widget class="MantidQt::MantidWidgets::WorkspaceSelector" name="furyfit_wsIqt">
- <property name="WorkspaceTypes" stdset="0">
- <stringlist/>
- </property>
- <property name="Suffix" stdset="0">
- <stringlist>
- <string>_iqt</string>
- </stringlist>
- </property>
- </widget>
- </item>
- </layout>
- </widget>
</widget>
</item>
</layout>
@@ -2734,11 +2682,6 @@
<extends>QWidget</extends>
<header>MantidQtMantidWidgets/MWRunFiles.h</header>
</customwidget>
- <customwidget>
- <class>MantidQt::MantidWidgets::WorkspaceSelector</class>
- <extends>QComboBox</extends>
- <header>MantidQtMantidWidgets/WorkspaceSelector.h</header>
- </customwidget>
<customwidget>
<class>MantidQt::MantidWidgets::DataSelector</class>
<extends>QWidget</extends>
@@ -2757,7 +2700,6 @@
<tabstop>fury_ckVerbose</tabstop>
<tabstop>fury_ckPlot</tabstop>
<tabstop>fury_ckSave</tabstop>
- <tabstop>furyfit_cbInputType</tabstop>
<tabstop>furyfit_cbFitType</tabstop>
<tabstop>furyfit_ckConstrainIntensities</tabstop>
<tabstop>furyfit_ckPlotGuess</tabstop>
@@ -2769,9 +2711,6 @@
<tabstop>pbRun</tabstop>
<tabstop>pbManageDirs</tabstop>
<tabstop>leLogName</tabstop>
- <tabstop>furyfit_inputFile</tabstop>
- <tabstop>furyfit_pbPlotInput</tabstop>
- <tabstop>furyfit_wsIqt</tabstop>
<tabstop>furyfit_ckConstrainBeta</tabstop>
<tabstop>furyfit_ckVerbose</tabstop>
<tabstop>furyfit_ckSaveSeq</tabstop>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MSDFit.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MSDFit.h
index 063b7eacc46..fd0951849ee 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MSDFit.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MSDFit.h
@@ -26,8 +26,10 @@ namespace IDA
private slots:
void singleFit();
void plotFit(QString wsName);
- void newDataLoaded();
+ void newDataLoaded(const QString wsName);
void plotInput();
+ void specMinChanged(int value);
+ void specMaxChanged(int value);
void minChanged(double val);
void maxChanged(double val);
void updateRS(QtProperty* prop, double val);
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp
index cf3be48f87a..b7aea42f698 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp
@@ -27,15 +27,15 @@ namespace CustomInterfaces
{
namespace IDA
{
- ConvFit::ConvFit(QWidget * parent) :
+ ConvFit::ConvFit(QWidget * parent) :
IDATab(parent),
- m_stringManager(NULL), m_cfTree(NULL),
+ m_stringManager(NULL), m_cfTree(NULL),
m_fixedProps(),
m_cfInputWS(), m_cfInputWSName(),
m_confitResFileType()
{
}
-
+
void ConvFit::setup()
{
// Create Property Managers
@@ -58,7 +58,7 @@ namespace IDA
// Create Range Selectors
m_rangeSelectors["ConvFitRange"] = new MantidQt::MantidWidgets::RangeSelector(m_plots["ConvFitPlot"]);
- m_rangeSelectors["ConvFitBackRange"] = 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);
@@ -124,8 +124,11 @@ namespace IDA
// 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()));
-
+ 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()));
@@ -170,15 +173,9 @@ namespace IDA
"endx = " + enX + "\n"
"plot = '" + uiForm().confit_cbPlotOutput->currentText() + "'\n"
"ties = " + ties + "\n"
- "save = ";
-
- if(uiForm().confit_spSpectraMin->text() != "")
- pyInput += "specMin = " + uiForm().confit_spSpectraMin->text() + "\n";
-
- if(uiForm().confit_spSpectraMax->text() != "")
- pyInput += "specMax = " + uiForm().confit_spSpectraMax->text() + "\n";
-
- pyInput += uiForm().confit_ckSaveSeq->isChecked() ? "True\n" : "False\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";
@@ -188,7 +185,7 @@ namespace IDA
QString temperature = uiForm().confit_leTempCorrection->text();
bool useTempCorrection = (!temperature.isEmpty() && uiForm().confit_ckTempCorrection->isChecked());
- if ( useTempCorrection )
+ if ( useTempCorrection )
{
pyInput += "temp=" + temperature + "\n";
}
@@ -196,8 +193,8 @@ namespace IDA
{
pyInput += "temp=None\n";
}
-
- pyInput +=
+
+ pyInput +=
"bg = '" + bg + "'\n"
"ftype = '" + ftype + "'\n"
"confitSeq(input, func, startx, endx, ftype, bg, temp, specMin, specMax, convolve, Verbose=verbose, Plot=plot, Save=save)\n";
@@ -211,7 +208,7 @@ namespace IDA
bool ConvFit::validate()
{
using Mantid::API::AnalysisDataService;
-
+
UserInputValidator uiv;
uiv.checkDataSelectorIsValid("Sample", uiForm().confit_dsSampleInput);
@@ -241,20 +238,24 @@ namespace IDA
* Called when new data has been loaded by the data selector.
*
* Configures ranges for spin boxes before raw plot is done.
+ *
+ * @param wsName Name of new workspace loaded
*/
- void ConvFit::newDataLoaded()
+ void ConvFit::newDataLoaded(const QString wsName)
{
- if(uiForm().confit_dsSampleInput->getCurrentDataName() != m_cfInputWSName)
- {
- m_cfInputWSName = uiForm().confit_dsSampleInput->getCurrentDataName();
- m_cfInputWS = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(m_cfInputWSName.toStdString());
- }
+ m_cfInputWSName = wsName;
+ m_cfInputWS = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(m_cfInputWSName.toStdString());
int maxSpecIndex = static_cast<int>(m_cfInputWS->getNumberHistograms()) - 1;
uiForm().confit_spPlotSpectrum->setMaximum(maxSpecIndex);
+ uiForm().confit_spPlotSpectrum->setMinimum(0);
+
uiForm().confit_spSpectraMin->setMaximum(maxSpecIndex);
+ uiForm().confit_spSpectraMin->setMinimum(0);
+
uiForm().confit_spSpectraMax->setMaximum(maxSpecIndex);
+ uiForm().confit_spSpectraMax->setMinimum(0);
uiForm().confit_spSpectraMax->setValue(maxSpecIndex);
plotInput();
@@ -283,7 +284,7 @@ namespace IDA
}
/**
- * Takes an index, a sub index and a name, and constructs a double level
+ * Takes an index, a sub index and a name, and constructs a double level
* (nested) parameter name for use with function ties, etc.
*
* @param index :: the index of the function in the first level.
@@ -338,10 +339,10 @@ namespace IDA
// --- Composite / Linear Background ---
// -------------------------------------
func = Mantid::API::FunctionFactory::Instance().createFunction("LinearBackground");
- comp->addFunction(func);
+ comp->addFunction(func);
const int bgType = uiForm().confit_cbBackground->currentIndex(); // 0 = Fixed Flat, 1 = Fit Flat, 2 = Fit all
-
+
if ( bgType == 0 || ! m_properties["BGA0"]->subProperties().isEmpty() )
{
comp->tie("f0.A0", m_properties["BGA0"]->valueText().toStdString() );
@@ -369,10 +370,10 @@ namespace IDA
// --------------------------------------------
func = Mantid::API::FunctionFactory::Instance().createFunction("Resolution");
conv->addFunction(func);
-
+
//add resolution file
if (uiForm().confit_dsResInput->isFileSelectorVisible())
- {
+ {
std::string resfilename = uiForm().confit_dsResInput->getFullFilePath().toStdString();
Mantid::API::IFunction::Attribute attr(resfilename);
func->setAttribute("FileName", attr);
@@ -416,7 +417,7 @@ namespace IDA
std::string prefix1;
std::string prefix2;
- int fitTypeIndex = uiForm().confit_cbFitType->currentIndex();
+ int fitTypeIndex = uiForm().confit_cbFitType->currentIndex();
// Add 1st Lorentzian
if(fitTypeIndex > 0)
@@ -424,7 +425,7 @@ namespace IDA
//if temperature not included then product is lorentzian * 1
//create product function for temp * lorentzian
auto product = boost::dynamic_pointer_cast<Mantid::API::CompositeFunction>(Mantid::API::FunctionFactory::Instance().createFunction("ProductFunction"));
-
+
if(useTempCorrection)
{
createTemperatureCorrection(product);
@@ -444,7 +445,7 @@ namespace IDA
//if temperature not included then product is lorentzian * 1
//create product function for temp * lorentzian
auto product = boost::dynamic_pointer_cast<Mantid::API::CompositeFunction>(Mantid::API::FunctionFactory::Instance().createFunction("ProductFunction"));
-
+
if(useTempCorrection)
{
createTemperatureCorrection(product);
@@ -454,7 +455,7 @@ namespace IDA
subIndex = product->addFunction(func);
index = model->addFunction(product);
prefix2 = createParName(index, subIndex);
-
+
populateFunction(func, model, m_properties["Lorentzian2"], prefix2, false);
}
@@ -478,7 +479,7 @@ namespace IDA
//create temperature correction function to multiply with the lorentzians
Mantid::API::IFunction_sptr tempFunc;
QString temperature = uiForm().confit_leTempCorrection->text();
-
+
//create user function for the exponential correction
// (x*temp) / 1-exp(-(x*temp))
tempFunc = Mantid::API::FunctionFactory::Instance().createFunction("UserFunction");
@@ -526,7 +527,7 @@ namespace IDA
resolution = 0;
}
-
+
return resolution;
}
@@ -600,7 +601,7 @@ namespace IDA
return fitType;
}
-
+
/**
* Generate a string to describe the background selected by the user.
* Used when naming the resultant workspaces.
@@ -620,7 +621,7 @@ namespace IDA
return "FitF_s";
case 2:
return "FitL_s";
- default:
+ default:
return "";
}
}
@@ -629,7 +630,7 @@ namespace IDA
{
m_cfTree->removeProperty(m_properties["Lorentzian1"]);
m_cfTree->removeProperty(m_properties["Lorentzian2"]);
-
+
switch ( index )
{
case 0:
@@ -644,7 +645,7 @@ namespace IDA
m_cfTree->addProperty(m_properties["Lorentzian2"]);
m_rangeSelectors["ConvFitHWHM"]->setVisible(true);
break;
- }
+ }
}
void ConvFit::bgTypeSelection(int index)
@@ -795,7 +796,7 @@ namespace IDA
}
QString outputNm = runPythonCode(QString("from IndirectCommon import getWSprefix\nprint getWSprefix('") + m_cfInputWSName + QString("')\n")).trimmed();
- outputNm += QString("conv_") + ftype + bg + uiForm().confit_spPlotSpectrum->text();
+ outputNm += QString("conv_") + ftype + bg + uiForm().confit_spPlotSpectrum->text();
std::string output = outputNm.toStdString();
Mantid::API::IAlgorithm_sptr alg = Mantid::API::AlgorithmManager::Instance().create("Fit");
@@ -810,7 +811,7 @@ namespace IDA
alg->setProperty("OutputCompositeMembers", true);
alg->setProperty("ConvolveMembers", true);
alg->execute();
-
+
if ( ! alg->isExecuted() )
{
showMessageBox("Fit algorithm failed.");
@@ -847,7 +848,7 @@ namespace IDA
int subIndex = 0;
//check if we're using a temperature correction
- if (uiForm().confit_ckTempCorrection->isChecked() &&
+ if (uiForm().confit_ckTempCorrection->isChecked() &&
!uiForm().confit_leTempCorrection->text().isEmpty())
{
subIndex++;
@@ -864,7 +865,7 @@ namespace IDA
{
key += "f0.";
}
-
+
key += "Height";
m_dblManager->setValue(m_properties["DeltaHeight"], parameters[key]);
@@ -903,6 +904,30 @@ namespace IDA
}
}
+ /**
+ * Handles the user entering a new minimum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Minimum spectrum index
+ */
+ void ConvFit::specMinChanged(int value)
+ {
+ uiForm().confit_spSpectraMax->setMinimum(value);
+ }
+
+ /**
+ * Handles the user entering a new maximum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Maximum spectrum index
+ */
+ void ConvFit::specMaxChanged(int value)
+ {
+ uiForm().confit_spSpectraMin->setMaximum(value);
+ }
+
void ConvFit::minChanged(double val)
{
m_dblManager->setValue(m_properties["StartX"], val);
@@ -953,14 +978,14 @@ namespace IDA
// Add/remove some properties to display only relevant options
if ( prop == m_properties["UseDeltaFunc"] )
{
- if ( checked )
- {
+ if ( checked )
+ {
m_properties["DeltaFunction"]->addSubProperty(m_properties["DeltaHeight"]);
uiForm().confit_cbPlotOutput->addItem("Height");
uiForm().confit_cbPlotOutput->addItem("EISF");
}
- else
- {
+ else
+ {
m_properties["DeltaFunction"]->removeSubProperty(m_properties["DeltaHeight"]);
uiForm().confit_cbPlotOutput->removeItem(uiForm().confit_cbPlotOutput->count()-1);
uiForm().confit_cbPlotOutput->removeItem(uiForm().confit_cbPlotOutput->count()-1);
@@ -986,7 +1011,7 @@ namespace IDA
// is it already fixed?
bool fixed = prop->propertyManager() != m_dblManager;
- if ( fixed && prop->propertyManager() != m_stringManager )
+ if ( fixed && prop->propertyManager() != m_stringManager )
return;
// Create the menu
@@ -1034,7 +1059,7 @@ namespace IDA
QtProperty* prop = item->property();
if ( prop->subProperties().empty() )
- {
+ {
item = item->parent();
prop = item->property();
}
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/FuryFit.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/FuryFit.cpp
index e42348ee962..4b82337600e 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/FuryFit.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/FuryFit.cpp
@@ -15,13 +15,15 @@
#include <qwt_plot.h>
#include <qwt_plot_curve.h>
+using namespace Mantid::API;
+
namespace MantidQt
{
namespace CustomInterfaces
{
namespace IDA
{
- FuryFit::FuryFit(QWidget * parent) :
+ FuryFit::FuryFit(QWidget * parent) :
IDATab(parent),
m_stringManager(NULL), m_ffTree(NULL),
m_ffRangeManager(NULL),
@@ -31,21 +33,21 @@ namespace IDA
m_ties()
{
}
-
+
void FuryFit::setup()
{
m_stringManager = new QtStringPropertyManager(m_parentWidget);
m_ffTree = new QtTreePropertyBrowser(m_parentWidget);
uiForm().furyfit_properties->addWidget(m_ffTree);
-
+
// Setup FuryFit Plot Window
m_plots["FuryFitPlot"] = new QwtPlot(m_parentWidget);
m_plots["FuryFitPlot"]->setAxisFont(QwtPlot::xBottom, m_parentWidget->font());
m_plots["FuryFitPlot"]->setAxisFont(QwtPlot::yLeft, m_parentWidget->font());
uiForm().furyfit_vlPlot->addWidget(m_plots["FuryFitPlot"]);
m_plots["FuryFitPlot"]->setCanvasBackground(QColor(255,255,255));
-
+
m_rangeSelectors["FuryFitRange"] = new MantidQt::MantidWidgets::RangeSelector(m_plots["FuryFitPlot"]);
connect(m_rangeSelectors["FuryFitRange"], SIGNAL(minValueChanged(double)), this, SLOT(xMinSelected(double)));
connect(m_rangeSelectors["FuryFitRange"], SIGNAL(maxValueChanged(double)), this, SLOT(xMaxSelected(double)));
@@ -58,7 +60,7 @@ namespace IDA
// setupTreePropertyBrowser
m_ffRangeManager = new QtDoublePropertyManager(m_parentWidget);
-
+
m_ffTree->setFactoryForManager(m_dblManager, doubleEditorFactory());
m_ffTree->setFactoryForManager(m_ffRangeManager, doubleEditorFactory());
@@ -77,7 +79,7 @@ namespace IDA
m_properties["Exponential1"] = createExponential("Exponential1");
m_properties["Exponential2"] = createExponential("Exponential2");
-
+
m_properties["StretchedExp"] = createStretchedExp("StretchedExp");
m_ffRangeManager->setMinimum(m_properties["BackgroundA0"], 0);
@@ -98,17 +100,16 @@ namespace IDA
connect(m_dblManager, SIGNAL(propertyChanged(QtProperty*)), this, SLOT(plotGuess(QtProperty*)));
// Signal/slot ui connections
- connect(uiForm().furyfit_inputFile, SIGNAL(fileEditingFinished()), this, SLOT(plotInput()));
+ connect(uiForm().furyfit_dsSampleInput, SIGNAL(dataReady(const QString&)), this, SLOT(newDataLoaded(const QString&)));
connect(uiForm().furyfit_cbFitType, SIGNAL(currentIndexChanged(int)), this, SLOT(typeSelection(int)));
- connect(uiForm().furyfit_spPlotSpectrum, SIGNAL(editingFinished()), this, SLOT(plotInput()));
- connect(uiForm().furyfit_cbInputType, SIGNAL(currentIndexChanged(int)), uiForm().furyfit_swInput, SLOT(setCurrentIndex(int)));
connect(uiForm().furyfit_pbSingle, SIGNAL(clicked()), this, SLOT(singleFit()));
- //plot input connections
- connect(uiForm().furyfit_inputFile, SIGNAL(filesFound()), this, SLOT(plotInput()));
- connect(uiForm().furyfit_wsIqt, SIGNAL(currentIndexChanged(int)), this, SLOT(plotInput()));
- connect(uiForm().furyfit_pbPlotInput, SIGNAL(clicked()), this, SLOT(plotInput()));
- connect(uiForm().furyfit_cbInputType, SIGNAL(currentIndexChanged(int)), this, SLOT(plotInput()));
+ connect(uiForm().furyfit_dsSampleInput, SIGNAL(filesFound()), this, SLOT(plotInput()));
+
+ connect(uiForm().furyfit_spPlotSpectrum, SIGNAL(valueChanged(int)), this, SLOT(plotInput()));
+
+ connect(uiForm().furyfit_spSpectraMin, SIGNAL(valueChanged(int)), this, SLOT(specMinChanged(int)));
+ connect(uiForm().furyfit_spSpectraMax, SIGNAL(valueChanged(int)), this, SLOT(specMaxChanged(int)));
// Set a custom handler for the QTreePropertyBrowser's ContextMenu event
m_ffTree->setContextMenuPolicy(Qt::CustomContextMenu);
@@ -124,16 +125,16 @@ namespace IDA
const bool constrainBeta = uiForm().furyfit_ckConstrainBeta->isChecked();
const bool constrainIntens = uiForm().furyfit_ckConstrainIntensities->isChecked();
- Mantid::API::CompositeFunction_sptr func = createFunction();
+ CompositeFunction_sptr func = createFunction();
func->tie("f0.A1", "0");
-
+
if ( constrainIntens )
{
constrainIntensities(func);
}
-
+
func->applyTies();
-
+
std::string function = std::string(func->asString());
QString pyInput = "from IndirectDataAnalysis import furyfitSeq, furyfitMult\n"
"input = '" + m_ffInputWSName + "'\n"
@@ -163,38 +164,15 @@ namespace IDA
{
pyInput += "furyfitMult(input, func, ftype, startx, endx, spec_min=spec_min, spec_max=spec_max, intensities_constrained=constrain_intens, Save=save, Plot=plot, Verbose=verbose)\n";
}
-
+
QString pyOutput = runPythonCode(pyInput);
}
bool FuryFit::validate()
{
- using namespace Mantid::API;
-
UserInputValidator uiv;
- switch( uiForm().furyfit_cbInputType->currentIndex() )
- {
- case 0:
- uiv.checkMWRunFilesIsValid("Input", uiForm().furyfit_inputFile);
-
- //file should already be loaded by this point, but attempt to recover if not.
- if(!AnalysisDataService::Instance().doesExist(m_ffInputWSName.toStdString()))
- {
- //attempt to reload the nexus file.
- QString filename = uiForm().furyfit_inputFile->getFirstFilename();
- QFileInfo fi(filename);
- QString wsname = fi.baseName();
-
- loadFile(filename, wsname);
- m_ffInputWSName = wsname;
- m_ffInputWS = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsname.toStdString());
- }
-
- break;
- case 1:
- uiv.checkWorkspaceSelectorIsNotEmpty("Input", uiForm().furyfit_wsIqt); break;
- }
+ uiv.checkDataSelectorIsValid("Sample", uiForm().furyfit_dsSampleInput);
auto range = std::make_pair(m_ffRangeManager->value(m_properties["StartX"]), m_ffRangeManager->value(m_properties["EndX"]));
uiv.checkValidRange("Ranges", range);
@@ -207,21 +185,48 @@ namespace IDA
void FuryFit::loadSettings(const QSettings & settings)
{
- uiForm().furyfit_inputFile->readSettings(settings.group());
+ uiForm().furyfit_dsSampleInput->readSettings(settings.group());
}
- Mantid::API::CompositeFunction_sptr FuryFit::createFunction(bool tie)
+ /**
+ * Called when new data has been loaded by the data selector.
+ *
+ * Configures ranges for spin boxes before raw plot is done.
+ *
+ * @param wsName Name of new workspace loaded
+ */
+ void FuryFit::newDataLoaded(const QString wsName)
{
- Mantid::API::CompositeFunction_sptr result( new Mantid::API::CompositeFunction );
+ m_ffInputWSName = wsName;
+ m_ffInputWS = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(m_ffInputWSName.toStdString());
+
+ int maxSpecIndex = static_cast<int>(m_ffInputWS->getNumberHistograms()) - 1;
+
+ uiForm().furyfit_spPlotSpectrum->setMaximum(maxSpecIndex);
+ uiForm().furyfit_spPlotSpectrum->setMinimum(0);
+
+ uiForm().furyfit_spSpectraMin->setMaximum(maxSpecIndex);
+ uiForm().furyfit_spSpectraMin->setMinimum(0);
+
+ uiForm().furyfit_spSpectraMax->setMaximum(maxSpecIndex);
+ uiForm().furyfit_spSpectraMax->setMinimum(0);
+ uiForm().furyfit_spSpectraMax->setValue(maxSpecIndex);
+
+ plotInput();
+ }
+
+ CompositeFunction_sptr FuryFit::createFunction(bool tie)
+ {
+ CompositeFunction_sptr result( new CompositeFunction );
QString fname;
const int fitType = uiForm().furyfit_cbFitType->currentIndex();
- Mantid::API::IFunction_sptr func = Mantid::API::FunctionFactory::Instance().createFunction("LinearBackground");
+ IFunction_sptr func = FunctionFactory::Instance().createFunction("LinearBackground");
func->setParameter("A0", m_ffRangeManager->value(m_properties["BackgroundA0"]));
result->addFunction(func);
result->tie("f0.A1", "0");
if ( tie ) { result->tie("f0.A0", m_properties["BackgroundA0"]->valueText().toStdString()); }
-
+
if ( fitType == 2 ) { fname = "StretchedExp"; }
else { fname = "Exponential1"; }
@@ -239,15 +244,15 @@ namespace IDA
return result;
}
- Mantid::API::IFunction_sptr FuryFit::createUserFunction(const QString & name, bool tie)
+ IFunction_sptr FuryFit::createUserFunction(const QString & name, bool tie)
{
- Mantid::API::IFunction_sptr result = Mantid::API::FunctionFactory::Instance().createFunction("UserFunction");
+ IFunction_sptr result = FunctionFactory::Instance().createFunction("UserFunction");
std::string formula;
if ( name.startsWith("Exp") ) { formula = "Intensity*exp(-(x/Tau))"; }
else { formula = "Intensity*exp(-(x/Tau)^Beta)"; }
- Mantid::API::IFunction::Attribute att(formula);
+ IFunction::Attribute att(formula);
result->setAttribute("Formula", att);
QList<QtProperty*> props = m_properties[name]->subProperties();
@@ -255,7 +260,7 @@ namespace IDA
{
std::string name = props[i]->propertyName().toStdString();
result->setParameter(name, m_dblManager->value(props[i]));
-
+
//add tie if parameter is fixed
if ( tie || ! props[i]->subProperties().isEmpty() )
{
@@ -263,7 +268,7 @@ namespace IDA
result->tie(name, value);
}
}
-
+
result->applyTies();
return result;
}
@@ -320,7 +325,7 @@ namespace IDA
m_ffTree->addProperty(m_properties["StartX"]);
m_ffTree->addProperty(m_properties["EndX"]);
m_ffTree->addProperty(m_properties["LinearBackground"]);
-
+
//option should only be available with a single stretched exponential
uiForm().furyfit_ckConstrainBeta->setEnabled((index == 2));
if (!uiForm().furyfit_ckConstrainBeta->isEnabled())
@@ -351,7 +356,7 @@ namespace IDA
{
uiForm().furyfit_cbPlotOutput->addItem("Beta");
}
-
+
break;
case 3:
m_ffTree->addProperty(m_properties["Exponential1"]);
@@ -371,82 +376,16 @@ namespace IDA
void FuryFit::plotInput()
{
- using namespace Mantid::API;
- switch ( uiForm().furyfit_cbInputType->currentIndex() )
- {
- case 0: // "File"
- {
- if ( ! uiForm().furyfit_inputFile->isValid() )
- {
- return;
- }
- else
- {
- QFileInfo fi(uiForm().furyfit_inputFile->getFirstFilename());
- QString wsname = fi.baseName();
- if ( (m_ffInputWS == NULL) || ( wsname != m_ffInputWSName ) )
- {
- m_ffInputWSName = wsname;
- QString filename = uiForm().furyfit_inputFile->getFirstFilename();
- // get the output workspace
- loadFile(filename, m_ffInputWSName);
- m_ffInputWS = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(m_ffInputWSName.toStdString());
- if(!m_ffInputWS)
- {
- return;
- }
- }
- }
- }
- break;
- case 1: // Workspace
- {
- m_ffInputWSName = uiForm().furyfit_wsIqt->currentText();
- if(m_ffInputWSName.isEmpty())
- {
- return;
- }
- try
- {
- m_ffInputWS = AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(m_ffInputWSName.toStdString());
- }
- catch ( Mantid::Kernel::Exception::NotFoundError & )
- {
- QString msg = "Workspace: '" + m_ffInputWSName + "' could not be "
- "found in the Analysis Data Service.";
- showMessageBox(msg);
- return;
- }
- }
- break;
- }
-
- int specNo = uiForm().furyfit_spPlotSpectrum->text().toInt();
- int nHist = static_cast<int>(m_ffInputWS->getNumberHistograms());
- int specMin = 0;
- int specMax = nHist - 1;
-
- if( specNo < 0 || specNo >= nHist )
- {
- if (specNo < 0)
- {
- specNo = 0;
- }
- else
- {
- specNo = nHist-1;
- }
- /* uiForm().furyfit_spPlotSpectrum->setText(QString::number(specNo)); */
- }
-
+ int specNo = uiForm().furyfit_spPlotSpectrum->value();
plotMiniPlot(m_ffInputWS, specNo, "FuryFitPlot", "FF_DataCurve");
+
try
{
const std::pair<double, double> range = getCurveRange("FF_DataCurve");
m_rangeSelectors["FuryFitRange"]->setRange(range.first, range.second);
m_ffRangeManager->setRange(m_properties["StartX"], range.first, range.second);
m_ffRangeManager->setRange(m_properties["EndX"], range.first, range.second);
-
+
setDefaultParameters("Exponential1");
setDefaultParameters("Exponential2");
setDefaultParameters("StretchedExp");
@@ -479,6 +418,30 @@ namespace IDA
m_dblManager->setValue(m_properties[name+".Beta"], 1.0);
}
+ /**
+ * Handles the user entering a new minimum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Minimum spectrum index
+ */
+ void FuryFit::specMinChanged(int value)
+ {
+ uiForm().furyfit_spSpectraMax->setMinimum(value);
+ }
+
+ /**
+ * Handles the user entering a new maximum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Maximum spectrum index
+ */
+ void FuryFit::specMaxChanged(int value)
+ {
+ uiForm().furyfit_spSpectraMin->setMaximum(value);
+ }
+
void FuryFit::xMinSelected(double val)
{
m_ffRangeManager->setValue(m_properties["StartX"], val);
@@ -514,8 +477,8 @@ namespace IDA
m_dblManager->setValue(m_properties["Exponential2.Intensity"], 1.0-val);
m_dblManager->setValue(m_properties["StretchedExp.Intensity"], 1.0-val);
}
- else if( prop == m_properties["Exponential1.Intensity"]
- || prop == m_properties["Exponential2.Intensity"]
+ else if( prop == m_properties["Exponential1.Intensity"]
+ || prop == m_properties["Exponential2.Intensity"]
|| prop == m_properties["StretchedExp.Intensity"])
{
m_rangeSelectors["FuryFitBackground"]->setMinimum(1.0-val);
@@ -525,7 +488,7 @@ namespace IDA
}
}
- void FuryFit::constrainIntensities(Mantid::API::CompositeFunction_sptr func)
+ void FuryFit::constrainIntensities(CompositeFunction_sptr func)
{
std::string paramName = "f1.Intensity";
size_t index = func->parameterIndex(paramName);
@@ -541,7 +504,7 @@ namespace IDA
else
{
std::string paramValue = boost::lexical_cast<std::string>(func->getParameter(paramName));
- func->tie(paramName, paramValue);
+ func->tie(paramName, paramValue);
func->tie("f0.A0", "1-"+paramName);
}
break;
@@ -598,7 +561,7 @@ namespace IDA
std::string output = outputNm.toStdString();
// Create the Fit Algorithm
- Mantid::API::IAlgorithm_sptr alg = Mantid::API::AlgorithmManager::Instance().create("Fit");
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("Fit");
alg->initialize();
alg->setPropertyValue("Function", function->asString());
alg->setPropertyValue("InputWorkspace", m_ffInputWSName.toStdString());
@@ -623,7 +586,7 @@ namespace IDA
m_curves["FF_FitCurve"]->setPen(fitPen);
replot("FuryFitPlot");
- Mantid::API::IFunction_sptr outputFunc = alg->getProperty("Function");
+ IFunction_sptr outputFunc = alg->getProperty("Function");
// Get params.
QMap<QString,double> parameters;
@@ -637,13 +600,13 @@ namespace IDA
parameters[QString(parNames[i].c_str())] = parVals[i];
m_ffRangeManager->setValue(m_properties["BackgroundA0"], parameters["f0.A0"]);
-
+
if ( fitType != 2 )
{
// Exp 1
m_dblManager->setValue(m_properties["Exponential1.Intensity"], parameters["f1.Intensity"]);
m_dblManager->setValue(m_properties["Exponential1.Tau"], parameters["f1.Tau"]);
-
+
if ( fitType == 1 )
{
// Exp 2
@@ -651,14 +614,14 @@ namespace IDA
m_dblManager->setValue(m_properties["Exponential2.Tau"], parameters["f2.Tau"]);
}
}
-
+
if ( fitType > 1 )
{
// Str
QString fval;
if ( fitType == 2 ) { fval = "f1."; }
else { fval = "f2."; }
-
+
m_dblManager->setValue(m_properties["StretchedExp.Intensity"], parameters[fval+"Intensity"]);
m_dblManager->setValue(m_properties["StretchedExp.Tau"], parameters[fval+"Tau"]);
m_dblManager->setValue(m_properties["StretchedExp.Beta"], parameters[fval+"Beta"]);
@@ -672,7 +635,7 @@ namespace IDA
return;
}
- Mantid::API::CompositeFunction_sptr function = createFunction(true);
+ CompositeFunction_sptr function = createFunction(true);
// Create the double* array from the input workspace
const size_t binIndxLow = m_ffInputWS->binIndexOf(m_ffRangeManager->value(m_properties["StartX"]));
@@ -693,8 +656,8 @@ namespace IDA
inputXData[i] = XValues[binIndxLow+i];
}
- Mantid::API::FunctionDomain1DVector domain(inputXData);
- Mantid::API::FunctionValues outputData(domain);
+ FunctionDomain1DVector domain(inputXData);
+ FunctionValues outputData(domain);
function->function(domain, outputData);
QVector<double> dataX;
@@ -731,7 +694,7 @@ namespace IDA
// is it already fixed?
bool fixed = prop->propertyManager() != m_dblManager;
- if ( fixed && prop->propertyManager() != m_stringManager )
+ if ( fixed && prop->propertyManager() != m_stringManager )
return;
// Create the menu
@@ -778,7 +741,7 @@ namespace IDA
QtProperty* prop = item->property();
if ( prop->subProperties().empty() )
- {
+ {
item = item->parent();
prop = item->property();
}
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/MSDFit.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/MSDFit.cpp
index 36ad46bb448..cd8ce5d0ecb 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/MSDFit.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/MSDFit.cpp
@@ -52,9 +52,12 @@ namespace IDA
connect(m_rangeSelectors["MSDRange"], SIGNAL(maxValueChanged(double)), this, SLOT(maxChanged(double)));
connect(m_dblManager, SIGNAL(valueChanged(QtProperty*, double)), this, SLOT(updateRS(QtProperty*, double)));
- connect(uiForm().msd_dsSampleInput, SIGNAL(dataReady(const QString&)), this, SLOT(newDataLoaded()));
+ connect(uiForm().msd_dsSampleInput, SIGNAL(dataReady(const QString&)), this, SLOT(newDataLoaded(const QString&)));
connect(uiForm().msd_pbSingle, SIGNAL(clicked()), this, SLOT(singleFit()));
connect(uiForm().msd_spPlotSpectrum, SIGNAL(valueChanged(int)), this, SLOT(plotInput()));
+
+ connect(uiForm().msd_spSpectraMin, SIGNAL(valueChanged(int)), this, SLOT(specMinChanged(int)));
+ connect(uiForm().msd_spSpectraMax, SIGNAL(valueChanged(int)), this, SLOT(specMaxChanged(int)));
}
void MSDFit::run()
@@ -107,7 +110,7 @@ namespace IDA
bool MSDFit::validate()
{
UserInputValidator uiv;
-
+
uiv.checkDataSelectorIsValid("Sample input", uiForm().msd_dsSampleInput);
auto range = std::make_pair(m_dblManager->value(m_properties["Start"]), m_dblManager->value(m_properties["End"]));
@@ -147,11 +150,12 @@ namespace IDA
* Called when new data has been loaded by the data selector.
*
* Configures ranges for spin boxes before raw plot is done.
+ *
+ * @param wsName Name of new workspace loaded
*/
- void MSDFit::newDataLoaded()
+ void MSDFit::newDataLoaded(const QString wsName)
{
- QString wsname = uiForm().msd_dsSampleInput->getCurrentDataName();
- auto ws = Mantid::API::AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(wsname.toStdString());
+ auto ws = Mantid::API::AnalysisDataService::Instance().retrieveWS<const MatrixWorkspace>(wsName.toStdString());
int maxSpecIndex = static_cast<int>(ws->getNumberHistograms()) - 1;
uiForm().msd_spPlotSpectrum->setMaximum(maxSpecIndex);
@@ -186,6 +190,30 @@ namespace IDA
m_currentWsName = wsname;
}
+ /**
+ * Handles the user entering a new minimum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Minimum spectrum index
+ */
+ void MSDFit::specMinChanged(int value)
+ {
+ uiForm().msd_spSpectraMax->setMinimum(value);
+ }
+
+ /**
+ * Handles the user entering a new maximum spectrum index.
+ *
+ * Prevents the user entering an overlapping spectra range.
+ *
+ * @param value Maximum spectrum index
+ */
+ void MSDFit::specMaxChanged(int value)
+ {
+ uiForm().msd_spSpectraMin->setMaximum(value);
+ }
+
void MSDFit::minChanged(double val)
{
m_dblManager->setValue(m_properties["Start"], val);
--
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