diff --git a/Framework/Algorithms/test/RemoveExpDecayTest.h b/Framework/Algorithms/test/RemoveExpDecayTest.h
index e4d20a3f95e44748f4f7128fdadcd112f6d298f5..136e48cf707bef934f0138026a1ad26eebee85b7 100644
--- a/Framework/Algorithms/test/RemoveExpDecayTest.h
+++ b/Framework/Algorithms/test/RemoveExpDecayTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidAlgorithms/RemoveExpDecay.h"
+#include "MantidAPI/AlgorithmManager.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-using namespace Mantid::Algorithms;
using namespace Mantid::API;
+using Mantid::MantidVec;
const std::string outputName = "MuonRemoveExpDecay_Output";
@@ -21,52 +21,165 @@ public:
RemoveExpDecayTest() { FrameworkManager::Instance(); }
void testInit() {
- MuonRemoveExpDecay alg;
- alg.initialize();
- TS_ASSERT(alg.isInitialized())
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg->initialize();
+ TS_ASSERT(alg->isInitialized())
}
- void testExecute() {
- auto ws = WorkspaceCreationHelper::Create2DWorkspace(1, 1);
-
- MuonRemoveExpDecay alg;
- TS_ASSERT_THROWS_NOTHING(alg.initialize());
- TS_ASSERT(alg.isInitialized());
- alg.setChild(true);
- alg.setProperty("InputWorkspace", ws);
- alg.setPropertyValue("OutputWorkspace", outputName);
- alg.setPropertyValue("Spectra", "0");
- TS_ASSERT_THROWS_NOTHING(alg.execute());
- TS_ASSERT(alg.isExecuted())
+ void test_Execute() {
+
+ auto ws = createWorkspace(1, 50);
+
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg->initialize();
+ alg->setChild(true);
+ alg->setProperty("InputWorkspace", ws);
+ alg->setPropertyValue("OutputWorkspace", outputName);
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ TS_ASSERT(alg->isExecuted());
+
+ MatrixWorkspace_sptr outWS = alg->getProperty("OutputWorkspace");
}
- void testExecuteWhereSepctraNotSet() {
- auto ws = WorkspaceCreationHelper::Create2DWorkspace(1, 1);
-
- MuonRemoveExpDecay alg;
- TS_ASSERT_THROWS_NOTHING(alg.initialize());
- TS_ASSERT(alg.isInitialized());
- alg.setChild(true);
- alg.setProperty("InputWorkspace", ws);
- alg.setPropertyValue("OutputWorkspace", outputName);
- TS_ASSERT_THROWS_NOTHING(alg.execute());
- TS_ASSERT(alg.isExecuted())
+ void test_EmptySpectrumList() {
+
+ auto ws = createWorkspace(2, 50);
+
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg->initialize();
+ alg->setChild(true);
+ alg->setProperty("InputWorkspace", ws);
+ alg->setPropertyValue("OutputWorkspace", outputName);
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ TS_ASSERT(alg->isExecuted());
+
+ MatrixWorkspace_sptr outWS = alg->getProperty("OutputWorkspace");
+
+ // First spectrum
+ // Test some X values
+ TS_ASSERT_DELTA(outWS->readX(0)[10], 0.2000, 0.0001);
+ TS_ASSERT_DELTA(outWS->readX(0)[19], 0.3800, 0.0001);
+ TS_ASSERT_DELTA(outWS->readX(0)[49], 0.9800, 0.0001);
+ // Test some Y values
+ TS_ASSERT_DELTA(outWS->readY(0)[10], -0.0992, 0.0001);
+ TS_ASSERT_DELTA(outWS->readY(0)[19], -0.0111, 0.0001);
+ TS_ASSERT_DELTA(outWS->readY(0)[49], -0.0622, 0.0001);
+ // Test some E values
+ TS_ASSERT_DELTA(outWS->readE(0)[10], 0.0054, 0.0001);
+ TS_ASSERT_DELTA(outWS->readE(0)[19], 0.0059, 0.0001);
+ TS_ASSERT_DELTA(outWS->readE(0)[49], 0.0077, 0.0001);
+
+ // Second spectrum
+ // Test some X values
+ TS_ASSERT_DELTA(outWS->readX(1)[10], 0.2000, 0.0001);
+ TS_ASSERT_DELTA(outWS->readX(1)[19], 0.3800, 0.0001);
+ TS_ASSERT_DELTA(outWS->readX(1)[49], 0.9800, 0.0001);
+ // Test some Y values
+ TS_ASSERT_DELTA(outWS->readY(1)[10], 0.0274, 0.0001);
+ TS_ASSERT_DELTA(outWS->readY(1)[19], -0.1003, 0.0001);
+ TS_ASSERT_DELTA(outWS->readY(1)[49], 0.0802, 0.0001);
+ // Test some E values
+ TS_ASSERT_DELTA(outWS->readE(1)[10], 0.0054, 0.0001);
+ TS_ASSERT_DELTA(outWS->readE(1)[19], 0.0059, 0.0001);
+ TS_ASSERT_DELTA(outWS->readE(1)[49], 0.0078, 0.0001);
+ }
+
+ void test_SpectrumList() {
+
+ auto ws = createWorkspace(2, 50);
+
+ // First, run the algorithm without specifying any spectrum
+ IAlgorithm_sptr alg1 =
+ AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg1->initialize();
+ alg1->setChild(true);
+ alg1->setProperty("InputWorkspace", ws);
+ alg1->setPropertyValue("OutputWorkspace", outputName);
+ TS_ASSERT_THROWS_NOTHING(alg1->execute());
+ TS_ASSERT(alg1->isExecuted());
+ MatrixWorkspace_sptr out1 = alg1->getProperty("OutputWorkspace");
+
+ // Then run the algorithm on the second spectrum only
+ IAlgorithm_sptr alg2 =
+ AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg2->initialize();
+ alg2->setChild(true);
+ alg2->setProperty("InputWorkspace", ws);
+ alg2->setPropertyValue("OutputWorkspace", outputName);
+ alg2->setPropertyValue("Spectra", "1");
+ TS_ASSERT_THROWS_NOTHING(alg2->execute());
+ TS_ASSERT(alg2->isExecuted());
+ MatrixWorkspace_sptr out2 = alg2->getProperty("OutputWorkspace");
+
+ // Both output workspaces should have 2 spectra
+ TS_ASSERT_EQUALS(out1->getNumberHistograms(), ws->getNumberHistograms());
+ TS_ASSERT_EQUALS(out2->getNumberHistograms(), ws->getNumberHistograms());
+
+ // Compare results, they should match for the selected spectrum
+ TS_ASSERT_EQUALS(out1->readX(1), out2->readX(1));
+ TS_ASSERT_EQUALS(out1->readY(1), out2->readY(1));
+ TS_ASSERT_EQUALS(out1->readE(1), out2->readE(1));
+
+ // Compare non-selected spectra, the should match the input ones
+ TS_ASSERT_EQUALS(ws->readX(0), out2->readX(0));
+ TS_ASSERT_EQUALS(ws->readY(0), out2->readY(0));
+ TS_ASSERT_EQUALS(ws->readE(0), out2->readE(0));
}
void test_yUnitLabel() {
- auto ws = WorkspaceCreationHelper::Create2DWorkspace(1, 1);
- MuonRemoveExpDecay alg;
- alg.initialize();
- alg.setChild(true);
- alg.setProperty("InputWorkspace", ws);
- alg.setProperty("OutputWorkspace", outputName);
- alg.execute();
+ auto ws = createWorkspace(4, 50);
+
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("RemoveExpDecay");
+ alg->initialize();
+ alg->setChild(true);
+ alg->setProperty("InputWorkspace", ws);
+ alg->setPropertyValue("OutputWorkspace", outputName);
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ TS_ASSERT(alg->isExecuted())
- MatrixWorkspace_sptr result = alg.getProperty("OutputWorkspace");
+ MatrixWorkspace_sptr result = alg->getProperty("OutputWorkspace");
TS_ASSERT(result);
TS_ASSERT_EQUALS(result->YUnitLabel(), "Asymmetry");
}
+
+ MatrixWorkspace_sptr createWorkspace(size_t nspec, size_t maxt) {
+
+ // Create a fake muon dataset
+ double a = 0.1; // Amplitude of the oscillations
+ double w = 25.; // Frequency of the oscillations
+ double tau = 2.2; // Muon life time
+
+ MantidVec X;
+ MantidVec Y;
+ MantidVec E;
+ for (size_t s = 0; s < nspec; s++) {
+ for (size_t t = 0; t < maxt; t++) {
+ double x = static_cast<double>(t) / static_cast<double>(maxt);
+ double e = exp(-x / tau);
+ X.push_back(x);
+ Y.push_back(a * sin(w * x +
+ static_cast<double>(s) * M_PI /
+ static_cast<double>(nspec)) *
+ e +
+ e);
+ E.push_back(0.005);
+ }
+ }
+
+ auto createWS = AlgorithmManager::Instance().create("CreateWorkspace");
+ createWS->initialize();
+ createWS->setChild(true);
+ createWS->setProperty("DataX", X);
+ createWS->setProperty("DataY", Y);
+ createWS->setProperty("DataE", E);
+ createWS->setProperty("NSpec", static_cast<int>(nspec));
+ createWS->setPropertyValue("OutputWorkspace", "ws");
+ createWS->execute();
+ MatrixWorkspace_sptr ws = createWS->getProperty("OutputWorkspace");
+
+ return ws;
+ }
};
#endif /*MUONREMOVEEXPDECAYTEST_H_*/
diff --git a/Framework/CurveFitting/src/ParameterEstimator.cpp b/Framework/CurveFitting/src/ParameterEstimator.cpp
index 93c46fd68fbb9ae0690fbf296458a5f3bb20b7c4..db682fa12c32e3fce6170d9e4ca8c7a28725dfcd 100644
--- a/Framework/CurveFitting/src/ParameterEstimator.cpp
+++ b/Framework/CurveFitting/src/ParameterEstimator.cpp
@@ -7,6 +7,8 @@
#include "MantidKernel/Logger.h"
+#include <Poco/Mutex.h>
+
#include <cmath>
namespace Mantid {
@@ -18,20 +20,44 @@ using namespace Functions;
/// The logger.
Kernel::Logger g_log("ParameterEstimator");
+namespace {
+/// Mutex to prevent simultaneous access to functionMap
+Poco::Mutex FUNCTION_MAP_MUTEX;
+}
+
enum Function { None, Gaussian, Lorentzian, BackToBackExponential };
typedef std::map<std::string, std::pair<size_t, Function>> FunctionMapType;
//----------------------------------------------------------------------------------------------
+
+/// Initializes a FunctionMapType object
+/// @param functionMapType :: the function map to initialize
+void initFunctionLookup(FunctionMapType &functionMapType) {
+ assert(functionMapType.empty());
+
+ functionMapType["Gaussian"] = std::make_pair(2, Gaussian);
+ functionMapType["Lorentzian"] = std::make_pair(2, Lorentzian);
+ functionMapType["BackToBackExponential"] =
+ std::make_pair(4, BackToBackExponential);
+}
+
+/// Returns a reference to the static functionMapType
+/// @returns :: a const reference to the functionMapType
+const FunctionMapType &getFunctionMapType() {
+
+ Poco::Mutex::ScopedLock lock(FUNCTION_MAP_MUTEX);
+
+ static FunctionMapType functionMapType;
+
+ if (functionMapType.empty())
+ initFunctionLookup(functionMapType);
+ return functionMapType;
+}
+
/// Return a function code for a function if it needs setting values or None
/// otherwise.
Function whichFunction(const API::IFunction &function) {
- static FunctionMapType functionMap;
- if (functionMap.empty()) {
- functionMap["Gaussian"] = std::make_pair(2, Gaussian);
- functionMap["Lorentzian"] = std::make_pair(2, Lorentzian);
- functionMap["BackToBackExponential"] =
- std::make_pair(4, BackToBackExponential);
- }
+ const FunctionMapType &functionMap = getFunctionMapType();
auto index = functionMap.find(function.name());
if (index != functionMap.end()) {
if (!function.isExplicitlySet(index->second.first))
diff --git a/Framework/Geometry/inc/MantidGeometry/Crystal/HKLGenerator.h b/Framework/Geometry/inc/MantidGeometry/Crystal/HKLGenerator.h
index e95bcdadc77a64621bc4906b6e030a09ac9cffd4..bbfde3fc99b3695b9b254245c192691d762ce50c 100644
--- a/Framework/Geometry/inc/MantidGeometry/Crystal/HKLGenerator.h
+++ b/Framework/Geometry/inc/MantidGeometry/Crystal/HKLGenerator.h
@@ -113,8 +113,7 @@ public:
: public boost::iterator_facade<const_iterator, const Kernel::V3D &,
boost::forward_traversal_tag> {
public:
- /// Default constructor, requirement from boost::iterator_facade
- const_iterator() {}
+ const_iterator();
explicit const_iterator(const Kernel::V3D ¤t);
diff --git a/Framework/Geometry/src/Crystal/HKLGenerator.cpp b/Framework/Geometry/src/Crystal/HKLGenerator.cpp
index 0156cd97045b0a347af482893774907c011935c0..05a153674c612074fa06a4dd936f6285092284da 100644
--- a/Framework/Geometry/src/Crystal/HKLGenerator.cpp
+++ b/Framework/Geometry/src/Crystal/HKLGenerator.cpp
@@ -59,6 +59,11 @@ V3D HKLGenerator::getEndHKL() const {
return V3D(m_hklMax.X() + 1, m_hklMin.Y(), m_hklMin.Z());
}
+/// Default constructor, requirement from boost::iterator_facade
+HKLGenerator::const_iterator::const_iterator()
+ : m_h(0), m_k(0), m_l(0), m_hkl(V3D(0, 0, 0)), m_hMin(0), m_hMax(0),
+ m_kMin(0), m_kMax(0), m_lMin(0), m_lMax(0) {}
+
/// Return an iterator with min = max = current.
HKLGenerator::const_iterator::const_iterator(const V3D ¤t)
: m_h(static_cast<int>(current.X())), m_k(static_cast<int>(current.Y())),
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ConvFit.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ConvFit.h
index ed25cc6eed04b5788c3f2a4eb7fad4e11b2c3eeb..6ec99813345874f90ebcfe5d3f91ee85d5af963e 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ConvFit.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Indirect/ConvFit.h
@@ -77,6 +77,9 @@ private:
QStringList m_fitStrings;
QString m_previousFit;
QString m_baseName;
+ int m_runMin;
+ int m_runMax;
+
};
} // namespace IDA
} // namespace CustomInterfaces
diff --git a/MantidQt/CustomInterfaces/src/Indirect/ConvFit.cpp b/MantidQt/CustomInterfaces/src/Indirect/ConvFit.cpp
index 8af4d002b29daed1fbcea4c0495aa2a709a07156..07fef6447c8a24678b514740f03f64a9664d855f 100644
--- a/MantidQt/CustomInterfaces/src/Indirect/ConvFit.cpp
+++ b/MantidQt/CustomInterfaces/src/Indirect/ConvFit.cpp
@@ -35,6 +35,8 @@ ConvFit::ConvFit(QWidget *parent)
void ConvFit::setup() {
// Create Property Managers
m_stringManager = new QtStringPropertyManager();
+ m_runMin = 0;
+ m_runMax = 0;
// Initialise fitTypeStrings
m_fitStrings = QStringList() << ""
@@ -237,6 +239,8 @@ void ConvFit::run() {
std::string function = std::string(func->asString());
std::string stX = m_properties["StartX"]->valueText().toStdString();
std::string enX = m_properties["EndX"]->valueText().toStdString();
+ m_runMin = m_uiForm.spSpectraMin->value();
+ m_runMax = m_uiForm.spSpectraMax->value();
std::string specMin = m_uiForm.spSpectraMin->text().toStdString();
std::string specMax = m_uiForm.spSpectraMax->text().toStdString();
int maxIterations =
@@ -984,22 +988,23 @@ void ConvFit::updatePlot() {
}
// If there is a result plot then plot it
- std::string groupName = m_baseName.toStdString() + "_Workspaces";
+ std::string groupName = m_baseName.toStdString() + "_Workspaces";
if (AnalysisDataService::Instance().doesExist(groupName)) {
WorkspaceGroup_sptr outputGroup =
- AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(
- groupName);
- if (specNo >= static_cast<int>(outputGroup->size()))
+ AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(groupName);
+ if (specNo - m_runMin >= static_cast<int>(outputGroup->size()))
return;
- MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
- outputGroup->getItem(specNo));
- if (ws) {
- m_uiForm.ppPlot->addSpectrum("Fit", ws, 1, Qt::red);
- m_uiForm.ppPlot->addSpectrum("Diff", ws, 2, Qt::blue);
- if(m_uiForm.ckPlotGuess->isChecked()){
- m_uiForm.ppPlot->removeSpectrum("Guess");
- m_uiForm.ckPlotGuess->setChecked(false);
- }
+ if ((specNo - m_runMin) >= 0) {
+ MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ outputGroup->getItem(specNo- m_runMin));
+ if (ws) {
+ m_uiForm.ppPlot->addSpectrum("Fit", ws, 1, Qt::red);
+ m_uiForm.ppPlot->addSpectrum("Diff", ws, 2, Qt::blue);
+ if (m_uiForm.ckPlotGuess->isChecked()) {
+ m_uiForm.ppPlot->removeSpectrum("Guess");
+ m_uiForm.ckPlotGuess->setChecked(false);
+ }
+ }
}
}
}
diff --git a/docs/source/algorithms/RemoveExpDecay-v1.rst b/docs/source/algorithms/RemoveExpDecay-v1.rst
index 7307a59b69f6df06cd07ce3e4b48d5faa0791848..099f5988544139bcfb50a2bec4e27a834ad1fb42 100644
--- a/docs/source/algorithms/RemoveExpDecay-v1.rst
+++ b/docs/source/algorithms/RemoveExpDecay-v1.rst
@@ -9,8 +9,9 @@
Description
-----------
-This algorithm removes the exponential time decay from a specified muon
-spectra. By default, all the spectra in a workspace will be corrected.
+This algorithm removes the exponential time decay from the specified muon
+spectra, leaving the rest unchanged. By default, all the spectra
+in a workspace will be corrected.
The formula for removing the exponential decay is given by: