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Merge branch 'feature/5121_furyfit_fix_params' into feature/8284_fury…
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…_convfit_data_selector

Refs #8284

Conflicts:
	Code/Mantid/scripts/Inelastic/IndirectCommon.py
	Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py
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Samuel Jackson committed Apr 16, 2014
2 parents 0e5a700 + 2689e78 commit 154ab42
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Showing 4 changed files with 421 additions and 484 deletions.
4 changes: 4 additions & 0 deletions Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/FuryFit.h
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Expand Up @@ -2,8 +2,10 @@
#define MANTIDQTCUSTOMINTERFACESIDA_FURYFIT_H_

#include "MantidQtCustomInterfaces/IDATab.h"
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/MatrixWorkspace.h"


#include "boost/shared_ptr.hpp"

namespace Mantid
Expand Down Expand Up @@ -55,6 +57,8 @@ namespace IDA
QtProperty* createStretchedExp(const QString &);
void setDefaultParameters(const QString& name);
QString fitTypeString() const;
void constrainIntensities(Mantid::API::CompositeFunction_sptr func);


QIntValidator * m_intVal;
QtStringPropertyManager* m_stringManager;
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168 changes: 93 additions & 75 deletions Code/Mantid/MantidQt/CustomInterfaces/src/FuryFit.cpp
View file
Expand Up @@ -5,7 +5,6 @@

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

Expand Down Expand Up @@ -75,22 +74,22 @@ namespace IDA
m_ffRangeManager->setDecimals(m_ffProp["BackgroundA0"], NUM_DECIMALS);
m_ffProp["LinearBackground"]->addSubProperty(m_ffProp["BackgroundA0"]);

m_ffProp["Exponential1"] = createExponential("Exponential 1");
m_ffProp["Exponential2"] = createExponential("Exponential 2");
m_ffProp["Exponential1"] = createExponential("Exponential1");
m_ffProp["Exponential2"] = createExponential("Exponential2");

m_ffProp["StretchedExp"] = createStretchedExp("Stretched Exponential");
m_ffProp["StretchedExp"] = createStretchedExp("StretchedExp");

m_ffRangeManager->setMinimum(m_ffProp["BackgroundA0"], 0);
m_ffRangeManager->setMaximum(m_ffProp["BackgroundA0"], 1);

m_ffDblMng->setMinimum(m_ffProp["Exponential 1.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["Exponential 1.Intensity"], 1);
m_ffDblMng->setMinimum(m_ffProp["Exponential1.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["Exponential1.Intensity"], 1);

m_ffDblMng->setMinimum(m_ffProp["Exponential 2.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["Exponential 2.Intensity"], 1);
m_ffDblMng->setMinimum(m_ffProp["Exponential2.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["Exponential2.Intensity"], 1);

m_ffDblMng->setMinimum(m_ffProp["Stretched Exponential.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["Stretched Exponential.Intensity"], 1);
m_ffDblMng->setMinimum(m_ffProp["StretchedExp.Intensity"], 0);
m_ffDblMng->setMaximum(m_ffProp["StretchedExp.Intensity"], 1);

typeSelection(uiForm().furyfit_cbFitType->currentIndex());

Expand Down Expand Up @@ -200,14 +199,14 @@ namespace IDA
if ( fitType != 2 )
{
// Exp 1
m_ffDblMng->setValue(m_ffProp["Exponential 1.Intensity"], parameters["f1.Intensity"]);
m_ffDblMng->setValue(m_ffProp["Exponential 1.Tau"], parameters["f1.Tau"]);
m_ffDblMng->setValue(m_ffProp["Exponential1.Intensity"], parameters["f1.Intensity"]);
m_ffDblMng->setValue(m_ffProp["Exponential1.Tau"], parameters["f1.Tau"]);

if ( fitType == 1 )
{
// Exp 2
m_ffDblMng->setValue(m_ffProp["Exponential 2.Intensity"], parameters["f2.Intensity"]);
m_ffDblMng->setValue(m_ffProp["Exponential 2.Tau"], parameters["f2.Tau"]);
m_ffDblMng->setValue(m_ffProp["Exponential2.Intensity"], parameters["f2.Intensity"]);
m_ffDblMng->setValue(m_ffProp["Exponential2.Tau"], parameters["f2.Tau"]);
}
}

Expand All @@ -218,9 +217,9 @@ namespace IDA
if ( fitType == 2 ) { fval = "f1."; }
else { fval = "f2."; }

m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Intensity"], parameters[fval+"Intensity"]);
m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Tau"], parameters[fval+"Tau"]);
m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Beta"], parameters[fval+"Beta"]);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Intensity"], parameters[fval+"Intensity"]);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Tau"], parameters[fval+"Tau"]);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Beta"], parameters[fval+"Beta"]);
}

if ( uiForm().furyfit_ckPlotOutput->isChecked() )
Expand Down Expand Up @@ -281,15 +280,15 @@ namespace IDA
result->tie("f0.A1", "0");
if ( tie ) { result->tie("f0.A0", m_ffProp["BackgroundA0"]->valueText().toStdString()); }

if ( fitType == 2 ) { fname = "Stretched Exponential"; }
else { fname = "Exponential 1"; }
if ( fitType == 2 ) { fname = "StretchedExp"; }
else { fname = "Exponential1"; }

result->addFunction(createUserFunction(fname, tie));

if ( fitType == 1 || fitType == 3 )
{
if ( fitType == 1 ) { fname = "Exponential 2"; }
else { fname = "Stretched Exponential"; }
if ( fitType == 1 ) { fname = "Exponential2"; }
else { fname = "StretchedExp"; }
result->addFunction(createUserFunction(fname, tie));
}

Expand All @@ -309,26 +308,21 @@ namespace IDA
Mantid::API::IFunction::Attribute att(formula);
result->setAttribute("Formula", att);

result->setParameter("Intensity", m_ffDblMng->value(m_ffProp[name+".Intensity"]));

if ( tie || ! m_ffProp[name+".Intensity"]->subProperties().isEmpty() )
{
result->tie("Intensity", m_ffProp[name+".Intensity"]->valueText().toStdString());
}
result->setParameter("Tau", m_ffDblMng->value(m_ffProp[name+".Tau"]));
if ( tie || ! m_ffProp[name+".Tau"]->subProperties().isEmpty() )
QList<QtProperty*> props = m_ffProp[name]->subProperties();
for ( int i = 0; i < props.size(); i++ )
{
result->tie("Tau", m_ffProp[name+".Tau"]->valueText().toStdString());
}
if ( name.startsWith("Str") )
{
result->setParameter("Beta", m_ffDblMng->value(m_ffProp[name+".Beta"]));
if ( tie || ! m_ffProp[name+".Beta"]->subProperties().isEmpty() )
std::string name = props[i]->propertyName().toStdString();
result->setParameter(name, m_ffDblMng->value(props[i]));

//add tie if parameter is fixed
if ( tie || ! props[i]->subProperties().isEmpty() )
{
result->tie("Beta", m_ffProp[name+".Beta"]->valueText().toStdString());
std::string value = props[i]->valueText().toStdString();
result->tie(name, value);
}
}


result->applyTies();
return result;
}

Expand Down Expand Up @@ -508,9 +502,9 @@ namespace IDA
m_ffRangeManager->setRange(m_ffProp["StartX"], range.first, range.second);
m_ffRangeManager->setRange(m_ffProp["EndX"], range.first, range.second);

setDefaultParameters("Exponential 1");
setDefaultParameters("Exponential 2");
setDefaultParameters("Stretched Exponential");
setDefaultParameters("Exponential1");
setDefaultParameters("Exponential2");
setDefaultParameters("StretchedExp");

m_ffPlot->setAxisScale(QwtPlot::xBottom, range.first, range.second);
m_ffPlot->setAxisScale(QwtPlot::yLeft, 0.0, 1.0);
Expand Down Expand Up @@ -553,9 +547,9 @@ namespace IDA
void FuryFit::backgroundSelected(double val)
{
m_ffRangeManager->setValue(m_ffProp["BackgroundA0"], val);
m_ffDblMng->setValue(m_ffProp["Exponential 1.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential 2.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential1.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential2.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Intensity"], 1.0-val);
}

void FuryFit::propertyChanged(QtProperty* prop, double val)
Expand All @@ -571,18 +565,54 @@ namespace IDA
else if ( prop == m_ffProp["BackgroundA0"])
{
m_ffBackRangeS->setMinimum(val);
m_ffDblMng->setValue(m_ffProp["Exponential 1.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential 2.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential1.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential2.Intensity"], 1.0-val);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Intensity"], 1.0-val);
}
else if( prop == m_ffProp["Exponential 1.Intensity"]
|| prop == m_ffProp["Exponential 2.Intensity"]
|| prop == m_ffProp["Stretched Exponential.Intensity"])
else if( prop == m_ffProp["Exponential1.Intensity"]
|| prop == m_ffProp["Exponential2.Intensity"]
|| prop == m_ffProp["StretchedExp.Intensity"])
{
m_ffBackRangeS->setMinimum(1.0-val);
m_ffDblMng->setValue(m_ffProp["Exponential 1.Intensity"], val);
m_ffDblMng->setValue(m_ffProp["Exponential 2.Intensity"], val);
m_ffDblMng->setValue(m_ffProp["Stretched Exponential.Intensity"], val);
m_ffDblMng->setValue(m_ffProp["Exponential1.Intensity"], val);
m_ffDblMng->setValue(m_ffProp["Exponential2.Intensity"], val);
m_ffDblMng->setValue(m_ffProp["StretchedExp.Intensity"], val);
}
}

void FuryFit::constrainIntensities(Mantid::API::CompositeFunction_sptr func)
{
std::string paramName = "f1.Intensity";
size_t index = func->parameterIndex(paramName);

switch ( uiForm().furyfit_cbFitType->currentIndex() )
{
case 0: // 1 Exp
case 2: // 1 Str
if(!func->isFixed(index))
{
func->tie(paramName, "1-f0.A0");
}
else
{
std::string paramValue = boost::lexical_cast<std::string>(func->getParameter(paramName));
func->tie(paramName, paramValue);
func->tie("f0.A0", "1-"+paramName);
}
break;
case 1: // 2 Exp
case 3: // 1 Exp & 1 Str
if(!func->isFixed(index))
{
func->tie(paramName,"1-f2.Intensity-f0.A0");
}
else
{
std::string paramValue = boost::lexical_cast<std::string>(func->getParameter(paramName));
func->tie(paramName,"1-f2.Intensity-f0.A0");
func->tie(paramName, paramValue);
}
break;
}
}

Expand All @@ -600,38 +630,28 @@ namespace IDA
return;
}

const bool constrainBeta = uiForm().furyfit_ckConstrainBeta->isChecked();
const bool constrainIntens = uiForm().furyfit_ckConstrainIntensities->isChecked();
Mantid::API::CompositeFunction_sptr func = createFunction();

// Function Ties
func->tie("f0.A1", "0");
const bool constrainIntensities = uiForm().furyfit_ckConstrainIntensities->isChecked();
if ( constrainIntensities )

if ( constrainIntens )
{
switch ( uiForm().furyfit_cbFitType->currentIndex() )
{
case 0: // 1 Exp
case 2: // 1 Str
func->tie("f1.Intensity","1-f0.A0");
break;
case 1: // 2 Exp
case 3: // 1 Exp & 1 Str
func->tie("f1.Intensity","1-f2.Intensity-f0.A0");
break;
}
constrainIntensities(func);
}

bool constrainBeta = uiForm().furyfit_ckConstrainBeta->isChecked();

func->applyTies();

std::string function = std::string(func->asString());

QString pyInput = "from IndirectDataAnalysis import furyfitSeq, furyfitMult\n"
"input = '" + m_ffInputWSName + "'\n"
"func = r'" + QString::fromStdString(function) + "'\n"
"ftype = '" + fitTypeString() + "'\n"
"ftype = '" + fitTypeString() + "'\n"
"startx = " + m_ffProp["StartX"]->valueText() + "\n"
"endx = " + m_ffProp["EndX"]->valueText() + "\n"
"plot = '" + uiForm().furyfit_cbPlotOutput->currentText() + "'\n";

if (constrainIntensities) pyInput += "constrain_intens = True \n";
if (constrainIntens) pyInput += "constrain_intens = True \n";
else pyInput += "constrain_intens = False \n";

if ( uiForm().furyfit_ckVerbose->isChecked() ) pyInput += "verbose = True\n";
Expand All @@ -640,7 +660,7 @@ namespace IDA
if ( uiForm().furyfit_ckSaveSeq->isChecked() ) pyInput += "save = True\n";
else pyInput += "save = False\n";

if (!constrainBeta)
if( !constrainBeta )
{
pyInput += "furyfitSeq(input, func, ftype, startx, endx, constrain_intens, Save=save, Plot=plot, Verbose=verbose)\n";
}
Expand Down Expand Up @@ -761,9 +781,7 @@ namespace IDA
m_stringManager->setValue(fixedProp, prop->valueText());

item->parent()->property()->addSubProperty(fixedProp);

m_fixedProps[fixedProp] = prop;

item->parent()->property()->removeSubProperty(prop);
}

Expand Down

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