diff --git a/.gitignore b/.gitignore
index 8f718aea18f8228889f4966d3e05d98422a63c57..5a12c9f6778a0f6d3d7e41243a29ccdc903a43d4 100644
--- a/.gitignore
+++ b/.gitignore
@@ -166,7 +166,7 @@ Desktop.ini
.tags
.tags_sorted_by_file
-Code/Mantid/Vates/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/LibHelper.h
+Vates/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/LibHelper.h
# Make sure Third_Party doesn't get checked into the main repository
diff --git a/Framework/API/inc/MantidAPI/AlgorithmProxy.h b/Framework/API/inc/MantidAPI/AlgorithmProxy.h
index ef45cafbbf59b8bce4303063b7ae87fb6a73fa05..cc2c06272044a8d3aee5889ffdb1da9975de73aa 100644
--- a/Framework/API/inc/MantidAPI/AlgorithmProxy.h
+++ b/Framework/API/inc/MantidAPI/AlgorithmProxy.h
@@ -116,6 +116,8 @@ public:
void setPropertyValue(const std::string &name, const std::string &value);
/// Do something after a property was set
void afterPropertySet(const std::string &);
+ /// Make m_properties point to the same PropertyManager as po.
+ void copyPropertiesFrom(const PropertyManagerOwner &po);
//@}
void cancel();
diff --git a/Framework/API/inc/MantidAPI/DeprecatedAlgorithm.h b/Framework/API/inc/MantidAPI/DeprecatedAlgorithm.h
index 68c8250521e5bb0c2d476a682a009ac44c851898..f48837d236cb6925ef562a70ff597d62b28fc7db 100644
--- a/Framework/API/inc/MantidAPI/DeprecatedAlgorithm.h
+++ b/Framework/API/inc/MantidAPI/DeprecatedAlgorithm.h
@@ -52,7 +52,7 @@ private:
/// Replacement version, -1 indicates latest
int m_replacementVersion;
/// The date that the algorithm was first deprecated.
- std::string m_deprecatdDate;
+ std::string m_deprecatedDate;
};
} // namespace API
diff --git a/Framework/API/inc/MantidAPI/IFunction1D.h b/Framework/API/inc/MantidAPI/IFunction1D.h
index 61f9ea1d1b7bc85ad7f934af6978782dfa420740..f40d2b454d6d8e75e3f252fc11caffee8d9a4249 100644
--- a/Framework/API/inc/MantidAPI/IFunction1D.h
+++ b/Framework/API/inc/MantidAPI/IFunction1D.h
@@ -12,9 +12,10 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
class Fit;
}
-
+}
namespace API {
//----------------------------------------------------------------------
@@ -88,7 +89,7 @@ protected:
static Kernel::Logger g_log;
/// Making a friend
- friend class CurveFitting::Fit;
+ friend class CurveFitting::Algorithms::Fit;
};
typedef boost::shared_ptr<IFunction1D> IFunction1D_sptr;
diff --git a/Framework/API/src/Algorithm.cpp b/Framework/API/src/Algorithm.cpp
index e95b083c084a4db9beba993a20643fbb9c1f1d85..860a17a3d66cb681fd368d2f87a4f69347f5af71 100644
--- a/Framework/API/src/Algorithm.cpp
+++ b/Framework/API/src/Algorithm.cpp
@@ -1278,11 +1278,13 @@ bool Algorithm::processGroups() {
// ---------- Create all the output workspaces ----------------------------
for (size_t owp = 0; owp < m_pureOutputWorkspaceProps.size(); owp++) {
Property *prop = dynamic_cast<Property *>(m_pureOutputWorkspaceProps[owp]);
- WorkspaceGroup_sptr outWSGrp = WorkspaceGroup_sptr(new WorkspaceGroup());
- outGroups.push_back(outWSGrp);
- // Put the GROUP in the ADS
- AnalysisDataService::Instance().addOrReplace(prop->value(), outWSGrp);
- outWSGrp->observeADSNotifications(false);
+ if (prop) {
+ WorkspaceGroup_sptr outWSGrp = WorkspaceGroup_sptr(new WorkspaceGroup());
+ outGroups.push_back(outWSGrp);
+ // Put the GROUP in the ADS
+ AnalysisDataService::Instance().addOrReplace(prop->value(), outWSGrp);
+ outWSGrp->observeADSNotifications(false);
+ }
}
// Go through each entry in the input group(s)
diff --git a/Framework/API/src/AlgorithmProxy.cpp b/Framework/API/src/AlgorithmProxy.cpp
index a400d76b3943ccaab4a31a82474c523b4be6f1b9..c1a77746b23d389a16f10c89c606aaa192430d24 100644
--- a/Framework/API/src/AlgorithmProxy.cpp
+++ b/Framework/API/src/AlgorithmProxy.cpp
@@ -218,6 +218,17 @@ void AlgorithmProxy::afterPropertySet(const std::string &name) {
copyPropertiesFrom(*m_alg);
}
+/**
+ * Copy properties from another property manager
+ * Making sure that the concrete alg is kept in sync
+ * @param po :: The property manager to copy
+ */
+void AlgorithmProxy::copyPropertiesFrom(const PropertyManagerOwner &po) {
+ PropertyManagerOwner::copyPropertiesFrom(po);
+ createConcreteAlg(true);
+ m_alg->copyPropertiesFrom(*this);
+}
+
//----------------------------------------------------------------------
// Private methods
//----------------------------------------------------------------------
diff --git a/Framework/API/src/DeprecatedAlgorithm.cpp b/Framework/API/src/DeprecatedAlgorithm.cpp
index 095b870de6dce2c5493b60e1b42277f86d52a730..804e2e0ca5c0caa89d57d3944d32415fcfd7f188 100644
--- a/Framework/API/src/DeprecatedAlgorithm.cpp
+++ b/Framework/API/src/DeprecatedAlgorithm.cpp
@@ -13,7 +13,7 @@ Kernel::Logger g_log("DeprecatedAlgorithm");
/// Does nothing other than make the compiler happy.
DeprecatedAlgorithm::DeprecatedAlgorithm()
- : m_replacementAlgorithm(), m_replacementVersion(-1), m_deprecatdDate() {}
+ : m_replacementAlgorithm(), m_replacementVersion(-1), m_deprecatedDate() {}
/// Does nothing other than make the compiler happy.
DeprecatedAlgorithm::~DeprecatedAlgorithm() {}
@@ -37,7 +37,7 @@ void DeprecatedAlgorithm::useAlgorithm(const std::string &replacement,
/// The date the algorithm was deprecated on
void DeprecatedAlgorithm::deprecatedDate(const std::string &date) {
- this->m_deprecatdDate = "";
+ this->m_deprecatedDate = "";
if (date.empty()) {
// TODO warn people that it wasn't set
return;
@@ -46,7 +46,7 @@ void DeprecatedAlgorithm::deprecatedDate(const std::string &date) {
// TODO warn people that it wasn't set
return;
}
- this->m_deprecatdDate = date;
+ this->m_deprecatedDate = date;
}
/// This merely prints the deprecation error for people to see.
@@ -57,8 +57,8 @@ const std::string DeprecatedAlgorithm::deprecationMsg(const IAlgorithm *algo) {
msg << "deprecated";
- if (!this->m_deprecatdDate.empty())
- msg << " (on " << this->m_deprecatdDate << ")";
+ if (!this->m_deprecatedDate.empty())
+ msg << " (on " << this->m_deprecatedDate << ")";
if (this->m_replacementAlgorithm.empty()) {
msg << " and has no replacement.";
diff --git a/Framework/API/src/ExperimentInfo.cpp b/Framework/API/src/ExperimentInfo.cpp
index 26a61864f6b9927aad85b761c5e985a894de8ce7..3ddd52bfdf0bbefe09fb0864bbf10fd4f1ba0e93 100644
--- a/Framework/API/src/ExperimentInfo.cpp
+++ b/Framework/API/src/ExperimentInfo.cpp
@@ -1149,7 +1149,7 @@ void ExperimentInfo::readParameterMap(const std::string ¶meterStr) {
// if( comp_name == prev_name ) continue; this blocks reading in different
// parameters of the same component. RNT
// prev_name = comp_name;
- const Geometry::IComponent *comp = 0;
+ const Geometry::IComponent *comp = NULL;
if (comp_name.find("detID:") != std::string::npos) {
int detID = atoi(comp_name.substr(6).c_str());
comp = instr->getDetector(detID).get();
@@ -1164,8 +1164,7 @@ void ExperimentInfo::readParameterMap(const std::string ¶meterStr) {
continue;
}
}
- if (!comp)
- continue;
+
// create parameter's value as a sum of all tokens with index 3 or larger
// this allow a parameter's value to contain ";"
std::string paramValue = tokens[3];
diff --git a/Framework/API/src/FunctionFactory.cpp b/Framework/API/src/FunctionFactory.cpp
index 5d2a0a1aad401f3cebf7326d1219a3edf99798c1..29a5ec54767c1b593c9cf2e3c028f262707968d6 100644
--- a/Framework/API/src/FunctionFactory.cpp
+++ b/Framework/API/src/FunctionFactory.cpp
@@ -192,6 +192,9 @@ CompositeFunction_sptr FunctionFactoryImpl::createComposite(
inputError(expr.str());
}
+ if (!cfun)
+ inputError(expr.str());
+
for (; it != terms.end(); ++it) {
const Expression &term = it->bracketsRemoved();
IFunction_sptr fun;
diff --git a/Framework/API/src/NumericAxis.cpp b/Framework/API/src/NumericAxis.cpp
index 819ad1a5445b13c0a0415db954d2b2650bfe0d60..d609325a2397082f50219cfd5610807e58ae826c 100644
--- a/Framework/API/src/NumericAxis.cpp
+++ b/Framework/API/src/NumericAxis.cpp
@@ -191,9 +191,9 @@ std::string NumericAxis::label(const std::size_t &index) const {
auto it = numberLabel.end() - 1;
for (; it != numberLabel.begin(); --it) {
if (*it == '0') {
- numberLabel.erase(it);
+ it = numberLabel.erase(it);
} else if (*it == '.') {
- numberLabel.erase(it);
+ it = numberLabel.erase(it);
break;
} else {
break;
diff --git a/Framework/API/src/WorkspaceOpOverloads.cpp b/Framework/API/src/WorkspaceOpOverloads.cpp
index cfd3595724a9d60b327e5565606e1b504442491d..f29bca1ca5fe27a3bd029a203c5169e2eb8c3897 100644
--- a/Framework/API/src/WorkspaceOpOverloads.cpp
+++ b/Framework/API/src/WorkspaceOpOverloads.cpp
@@ -5,11 +5,11 @@
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidKernel/Property.h"
-#include "MantidKernel/Exception.h"
+//#include "MantidKernel/Exception.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/IWorkspaceProperty.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidAPI/SpectraAxis.h"
+//#include "MantidAPI/SpectraAxis.h"
#include "MantidAPI/IMDWorkspace.h"
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidAPI/WorkspaceGroup_fwd.h"
@@ -67,30 +67,20 @@ ResultType executeBinaryOperation(const std::string &algorithmName,
alg->execute();
- if (alg->isExecuted()) {
- // Get the output workspace property
- if (child) {
- return alg->getProperty("OutputWorkspace");
- } else {
- API::Workspace_sptr result =
- API::AnalysisDataService::Instance().retrieve(
- alg->getPropertyValue("OutputWorkspace"));
- return boost::dynamic_pointer_cast<typename ResultType::element_type>(
- result);
- }
- } else {
+ if (!alg->isExecuted()) {
std::string message = "Error while executing operation: " + algorithmName;
throw std::runtime_error(message);
}
- throw Kernel::Exception::NotFoundError(
- "Required output workspace property not found on Child Algorithm",
- "OutputWorkspace");
-
- // Horendous code inclusion to satisfy compilers that all code paths return a
- // value
- // in reality the above code should either throw or return successfully.
- return ResultType();
+ // Get the output workspace property
+ if (child) {
+ return alg->getProperty("OutputWorkspace");
+ } else {
+ API::Workspace_sptr result = API::AnalysisDataService::Instance().retrieve(
+ alg->getPropertyValue("OutputWorkspace"));
+ return boost::dynamic_pointer_cast<typename ResultType::element_type>(
+ result);
+ }
}
template DLLExport MatrixWorkspace_sptr
@@ -169,14 +159,12 @@ bool equals(const MatrixWorkspace_sptr lhs, const MatrixWorkspace_sptr rhs,
// Rest: use default
alg->execute();
- if (alg->isExecuted()) {
- return (alg->getPropertyValue("Result") == "Success!");
- } else {
+ if (!alg->isExecuted()) {
std::string message =
"Error while executing operation: CheckWorkspacesMatch";
throw std::runtime_error(message);
}
- return false;
+ return (alg->getPropertyValue("Result") == "Success!");
}
/** Creates a temporary single value workspace the error is set to zero
@@ -512,17 +500,18 @@ bool WorkspaceHelpers::matchingBins(const MatrixWorkspace_const_sptr ws1,
if (!step)
step = 1;
for (size_t i = step; i < numHist; i += step) {
- const double firstWS =
+ const double firstWSLoop =
std::accumulate(ws1->readX(i).begin(), ws1->readX(i).end(), 0.);
- const double secondWS =
+ const double secondWSLoop =
std::accumulate(ws2->readX(i).begin(), ws2->readX(i).end(), 0.);
- if (std::abs(firstWS) < 1.0E-7 && std::abs(secondWS) < 1.0E-7) {
+ if (std::abs(firstWSLoop) < 1.0E-7 && std::abs(secondWSLoop) < 1.0E-7) {
for (size_t j = 0; j < ws1->readX(i).size(); j++) {
if (std::abs(ws1->readX(i)[j] - ws2->readX(i)[j]) > 1.0E-7)
return false;
}
- } else if (std::abs(firstWS - secondWS) /
- std::max<double>(std::abs(firstWS), std::abs(secondWS)) >
+ } else if (std::abs(firstWSLoop - secondWSLoop) /
+ std::max<double>(std::abs(firstWSLoop),
+ std::abs(secondWSLoop)) >
1.0E-7)
return false;
}
diff --git a/Framework/API/test/AlgorithmProxyTest.h b/Framework/API/test/AlgorithmProxyTest.h
index 8c50e2e0dcd53e09f3d9ce26df5d78dd7f952dd2..6e8cafd780007d1caedf0087baf6c4936736b8c6 100644
--- a/Framework/API/test/AlgorithmProxyTest.h
+++ b/Framework/API/test/AlgorithmProxyTest.h
@@ -212,6 +212,30 @@ public:
}
TS_ASSERT_EQUALS("InputWorkspace", alg->workspaceMethodInputProperty());
}
+
+ void test_copyPropertiesFrom() {
+ IAlgorithm_sptr alg =
+ AlgorithmManager::Instance().create("ToyAlgorithmProxy");
+ alg->initialize();
+ alg->setPropertyValue("prop1", "string");
+ alg->setPropertyValue("prop2", "1");
+ IAlgorithm_sptr algCopy =
+ AlgorithmManager::Instance().create("ToyAlgorithmProxy");
+
+ auto algProxy = boost::dynamic_pointer_cast<AlgorithmProxy>(alg);
+ auto algCopyProxy = boost::dynamic_pointer_cast<AlgorithmProxy>(algCopy);
+ algCopyProxy->copyPropertiesFrom(*algProxy);
+
+ int val = boost::lexical_cast<int>(algCopy->getPropertyValue("prop2"));
+
+ TS_ASSERT_EQUALS(val, 1);
+
+ // set another value and check the other value is unaffected
+ algCopy->setPropertyValue("prop1", "A difference");
+ int val2 = boost::lexical_cast<int>(algCopy->getPropertyValue("prop2"));
+
+ TS_ASSERT_EQUALS(val, val2);
+ }
};
#endif /*ALGORITHMPROXYTEST_H_*/
diff --git a/Framework/Algorithms/src/AlignDetectors.cpp b/Framework/Algorithms/src/AlignDetectors.cpp
index de941aea91cf913e25be29eb8cb537a740f617e7..b45eade446063828c8540bdce23008dce25026f6 100644
--- a/Framework/Algorithms/src/AlignDetectors.cpp
+++ b/Framework/Algorithms/src/AlignDetectors.cpp
@@ -151,7 +151,9 @@ const std::string AlignDetectors::summary() const {
}
/// (Empty) Constructor
-AlignDetectors::AlignDetectors() { this->tofToDmap = NULL; }
+AlignDetectors::AlignDetectors() : m_numberOfSpectra(0) {
+ this->tofToDmap = NULL;
+}
/// Destructor
AlignDetectors::~AlignDetectors() { delete this->tofToDmap; }
diff --git a/Framework/Algorithms/src/CorelliCrossCorrelate.cpp b/Framework/Algorithms/src/CorelliCrossCorrelate.cpp
index a6e0cb33adfc00ecba56d322c2c4855662b143b7..8a499988135764aab495cdd5a00cc597532619eb 100644
--- a/Framework/Algorithms/src/CorelliCrossCorrelate.cpp
+++ b/Framework/Algorithms/src/CorelliCrossCorrelate.cpp
@@ -168,6 +168,11 @@ void CorelliCrossCorrelate::exec() {
// Determine period from chopper frequency.
auto motorSpeed = dynamic_cast<TimeSeriesProperty<double> *>(
inputWS->run().getProperty("BL9:Chop:Skf4:MotorSpeed"));
+ if (!motorSpeed) {
+ throw Exception::NotFoundError(
+ "Could not find a log value for the motor speed",
+ "BL9:Chop:Skf4:MotorSpeed");
+ }
double period = 1e9 / static_cast<double>(motorSpeed->timeAverageValue());
g_log.information() << "Frequency = " << 1e9 / period
<< "Hz Period = " << period << "ns\n";
diff --git a/Framework/Algorithms/src/CreateDummyCalFile.cpp b/Framework/Algorithms/src/CreateDummyCalFile.cpp
index d7c9020aaf9ecfded65339768e765ff11d20f89b..a13e9ba5626e143f39053f6c44d5f3dea6f87ca6 100644
--- a/Framework/Algorithms/src/CreateDummyCalFile.cpp
+++ b/Framework/Algorithms/src/CreateDummyCalFile.cpp
@@ -111,7 +111,7 @@ void CreateDummyCalFile::exec() {
std::string filename = getProperty("CalFilename");
// Plan to overwrite file, so do not check if it exists
- bool overwrite = false;
+ const bool overwrite = false;
int number = 0;
Progress prog(this, 0.0, 0.8, assemblies.size());
diff --git a/Framework/Algorithms/src/FFT.cpp b/Framework/Algorithms/src/FFT.cpp
index f8e6db3c74314b67a7c712256543b0733b55e805..1d6f94e2bf38fe60405370cd002df6453f65d240 100644
--- a/Framework/Algorithms/src/FFT.cpp
+++ b/Framework/Algorithms/src/FFT.cpp
@@ -172,7 +172,7 @@ void FFT::exec() {
// centerShift == true means that the zero on the x axis is assumed to be in
// the data centre
// at point with index i = ySize/2. If shift == false the zero is at i = 0
- bool centerShift = true;
+ const bool centerShift = true;
API::TextAxis *tAxis = new API::TextAxis(nOut);
int iRe = 0;
diff --git a/Framework/Algorithms/src/FindPeakBackground.cpp b/Framework/Algorithms/src/FindPeakBackground.cpp
index f5de226028bff2fb6f34e25ccc26c37f68d85f66..047bb0748a29536e74291b11089fd189ca149331 100644
--- a/Framework/Algorithms/src/FindPeakBackground.cpp
+++ b/Framework/Algorithms/src/FindPeakBackground.cpp
@@ -157,7 +157,7 @@ void FindPeakBackground::exec() {
Statistics stats = getStatistics(maskedY);
Ymean = stats.mean;
Yvariance = stats.standard_deviation * stats.standard_deviation;
- Ysigma = std::sqrt((moment4(maskedY, n - l0, Ymean) -
+ Ysigma = std::sqrt((moment4(maskedY, static_cast<size_t>(xn), Ymean) -
(xn - 3.0) / (xn - 1.0) * Yvariance) /
xn);
MantidVec::const_iterator it =
diff --git a/Framework/Algorithms/src/MonitorEfficiencyCorUser.cpp b/Framework/Algorithms/src/MonitorEfficiencyCorUser.cpp
index 6b04c6163b6b0eb648f952a3611da0105d343efd..cd05823acf6c0f4b34c652dfc084c6bd9bd37545 100644
--- a/Framework/Algorithms/src/MonitorEfficiencyCorUser.cpp
+++ b/Framework/Algorithms/src/MonitorEfficiencyCorUser.cpp
@@ -19,7 +19,8 @@ DECLARE_ALGORITHM(MonitorEfficiencyCorUser)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-MonitorEfficiencyCorUser::MonitorEfficiencyCorUser() {}
+MonitorEfficiencyCorUser::MonitorEfficiencyCorUser()
+ : m_inputWS(), m_outputWS(), m_Ei(.0), m_monitorCounts(0) {}
//----------------------------------------------------------------------------------------------
/** Destructor
diff --git a/Framework/Algorithms/src/RemovePromptPulse.cpp b/Framework/Algorithms/src/RemovePromptPulse.cpp
index ceaecb85d4746b238478623d474eab6efed925c3..a5f338a5942b2314618d3c8f065e6214de340a89 100644
--- a/Framework/Algorithms/src/RemovePromptPulse.cpp
+++ b/Framework/Algorithms/src/RemovePromptPulse.cpp
@@ -72,7 +72,7 @@ void getTofRange(MatrixWorkspace_const_sptr wksp, double &tmin, double &tmax) {
DataObjects::EventWorkspace_const_sptr eventWksp =
boost::dynamic_pointer_cast<const DataObjects::EventWorkspace>(wksp);
- bool isEvent = false;
+ const bool isEvent = false;
if (isEvent) {
eventWksp->getEventXMinMax(tmin, tmax);
} else {
diff --git a/Framework/Crystal/src/FilterPeaks.cpp b/Framework/Crystal/src/FilterPeaks.cpp
index 8e398c2b0de67a54cfba1205285caa2be5a0808c..f60acecea9586ca7449801c11b174ecdbefd7e16 100644
--- a/Framework/Crystal/src/FilterPeaks.cpp
+++ b/Framework/Crystal/src/FilterPeaks.cpp
@@ -98,6 +98,8 @@ void FilterPeaks::exec() {
filterFunction = &intensity;
else if (FilterVariable == "Signal/Noise")
filterFunction = &SN;
+ else
+ throw std::invalid_argument("Unknown FilterVariable: " + FilterVariable);
const double FilterValue = getProperty("FilterValue");
const std::string Operator = getProperty("Operator");
diff --git a/Framework/Crystal/src/LoadIsawSpectrum.cpp b/Framework/Crystal/src/LoadIsawSpectrum.cpp
index 1020210a59d8f48c1c261685b9a4e787d7427f38..20e26e01cda8e944690d35d46093fef418e917bf 100644
--- a/Framework/Crystal/src/LoadIsawSpectrum.cpp
+++ b/Framework/Crystal/src/LoadIsawSpectrum.cpp
@@ -69,38 +69,24 @@ void LoadIsawSpectrum::exec() {
std::vector<std::vector<double>> spectra;
std::vector<std::vector<double>> time;
int iSpec = 0;
- if (iSpec == 1) {
- while (!infile.eof()) // To get you all the lines.
- {
- // Set up sizes. (HEIGHT x WIDTH)
- spectra.resize(a + 1);
- getline(infile, STRING); // Saves the line in STRING.
- infile >> spec[0] >> spec[1] >> spec[2] >> spec[3] >> spec[4] >>
- spec[5] >> spec[6] >> spec[7] >> spec[8] >> spec[9] >> spec[10];
- for (int i = 0; i < 11; i++)
- spectra[a].push_back(spec[i]);
- a++;
- }
- } else {
- for (int wi = 0; wi < 8; wi++)
- getline(infile, STRING); // Saves the line in STRING.
- while (!infile.eof()) // To get you all the lines.
- {
- time.resize(a + 1);
- spectra.resize(a + 1);
- getline(infile, STRING); // Saves the line in STRING.
- if (infile.eof())
- break;
- std::stringstream ss(STRING);
- if (STRING.find("Bank") == std::string::npos) {
- double time0, spectra0;
- ss >> time0 >> spectra0;
- time[a].push_back(time0);
- spectra[a].push_back(spectra0);
+ for (int wi = 0; wi < 8; wi++)
+ getline(infile, STRING); // Saves the line in STRING.
+ while (!infile.eof()) // To get you all the lines.
+ {
+ time.resize(a + 1);
+ spectra.resize(a + 1);
+ getline(infile, STRING); // Saves the line in STRING.
+ if (infile.eof())
+ break;
+ std::stringstream ss(STRING);
+ if (STRING.find("Bank") == std::string::npos) {
+ double time0, spectra0;
+ ss >> time0 >> spectra0;
+ time[a].push_back(time0);
+ spectra[a].push_back(spectra0);
- } else {
- a++;
- }
+ } else {
+ a++;
}
}
infile.close();
diff --git a/Framework/Crystal/src/SaveHKL.cpp b/Framework/Crystal/src/SaveHKL.cpp
index 531893ebf5181eaacb538ee2eb25602000c59645..3129a148080f65782324bc85faa06dc5f2a05247 100644
--- a/Framework/Crystal/src/SaveHKL.cpp
+++ b/Framework/Crystal/src/SaveHKL.cpp
@@ -230,37 +230,23 @@ void SaveHKL::exec() {
infile.open(spectraFile.c_str());
if (infile.is_open()) {
size_t a = 0;
- if (iSpec == 1) {
- while (!infile.eof()) // To get you all the lines.
- {
- // Set up sizes. (HEIGHT x WIDTH)
- spectra.resize(a + 1);
- getline(infile, STRING); // Saves the line in STRING.
- infile >> spec[0] >> spec[1] >> spec[2] >> spec[3] >> spec[4] >>
- spec[5] >> spec[6] >> spec[7] >> spec[8] >> spec[9] >> spec[10];
- for (int i = 0; i < 11; i++)
- spectra[a].push_back(spec[i]);
+ for (int wi = 0; wi < 8; wi++)
+ getline(infile, STRING); // Saves the line in STRING.
+ while (!infile.eof()) // To get you all the lines.
+ {
+ time.resize(a + 1);
+ spectra.resize(a + 1);
+ getline(infile, STRING); // Saves the line in STRING.
+ std::stringstream ss(STRING);
+ if (STRING.find("Bank") == std::string::npos) {
+ double time0, spectra0;
+ ss >> time0 >> spectra0;
+ time[a].push_back(time0);
+ spectra[a].push_back(spectra0);
+
+ } else {
a++;
}
- } else {
- for (int wi = 0; wi < 8; wi++)
- getline(infile, STRING); // Saves the line in STRING.
- while (!infile.eof()) // To get you all the lines.
- {
- time.resize(a + 1);
- spectra.resize(a + 1);
- getline(infile, STRING); // Saves the line in STRING.
- std::stringstream ss(STRING);
- if (STRING.find("Bank") == std::string::npos) {
- double time0, spectra0;
- ss >> time0 >> spectra0;
- time[a].push_back(time0);
- spectra[a].push_back(spectra0);
-
- } else {
- a++;
- }
- }
}
infile.close();
}
diff --git a/Framework/CurveFitting/CMakeLists.txt b/Framework/CurveFitting/CMakeLists.txt
index c7be58f1e72176eed23025ebda88c4a7e00aec8a..dfbff31c86c754d00670840aa2275393a8de0276 100644
--- a/Framework/CurveFitting/CMakeLists.txt
+++ b/Framework/CurveFitting/CMakeLists.txt
@@ -3,118 +3,119 @@ set ( SRC_FILES
# src/SCDPanelErrors.cpp
# src/ChebyshevPolynomialBackground.cpp
#src/RefinePowderInstrumentParameters.cpp
- src/Abragam.cpp
+ src/Algorithms/CalculateChiSquared.cpp
+ src/Algorithms/CalculateGammaBackground.cpp
+ src/Algorithms/CalculateMSVesuvio.cpp
+ src/Algorithms/ConvertToYSpace.cpp
+ src/Algorithms/ConvolveWorkspaces.cpp
+ src/Algorithms/EstimatePeakErrors.cpp
+ src/Algorithms/EvaluateFunction.cpp
+ src/Algorithms/Fit.cpp
+ src/Algorithms/Fit1D.cpp
+ src/Algorithms/FitPowderDiffPeaks.cpp
+ src/Algorithms/LeBailFit.cpp
+ src/Algorithms/LeBailFunction.cpp
+ src/Algorithms/NormaliseByPeakArea.cpp
+ src/Algorithms/PawleyFit.cpp
+ src/Algorithms/PlotPeakByLogValue.cpp
+ src/Algorithms/RefinePowderInstrumentParameters.cpp
+ src/Algorithms/RefinePowderInstrumentParameters3.cpp
+ src/Algorithms/SplineBackground.cpp
+ src/Algorithms/SplineInterpolation.cpp
+ src/Algorithms/SplineSmoothing.cpp
src/AugmentedLagrangianOptimizer.cpp
- src/BFGS_Minimizer.cpp
- src/BSpline.cpp
- src/BackToBackExponential.cpp
- src/BackgroundFunction.cpp
- src/BivariateNormal.cpp
- src/Bk2BkExpConvPV.cpp
- src/BoundaryConstraint.cpp
- src/CalculateChiSquared.cpp
- src/CalculateGammaBackground.cpp
- src/CalculateMSVesuvio.cpp
- src/ChebfunBase.cpp
- src/Chebyshev.cpp
- src/ComptonPeakProfile.cpp
- src/ComptonProfile.cpp
- src/ComptonScatteringCountRate.cpp
- src/ConvertToYSpace.cpp
- src/Convolution.cpp
- src/ConvolveWorkspaces.cpp
- src/CostFuncFitting.cpp
- src/CostFuncLeastSquares.cpp
- src/CostFuncRwp.cpp
- src/CostFuncUnweightedLeastSquares.cpp
- src/CubicSpline.cpp
- src/DampingMinimizer.cpp
- src/DeltaFunction.cpp
- src/DerivMinimizer.cpp
- src/DiffRotDiscreteCircle.cpp
- src/DiffSphere.cpp
- src/DynamicKuboToyabe.cpp
- src/EndErfc.cpp
- src/EstimatePeakErrors.cpp
- src/EvaluateFunction.cpp
- src/ExpDecay.cpp
- src/ExpDecayMuon.cpp
- src/ExpDecayOsc.cpp
- src/FABADAMinimizer.cpp
- src/FRConjugateGradientMinimizer.cpp
- src/Fit.cpp
- src/Fit1D.cpp
+ src/Constraints/BoundaryConstraint.cpp
+ src/CostFunctions/CostFuncFitting.cpp
+ src/CostFunctions/CostFuncLeastSquares.cpp
+ src/CostFunctions/CostFuncRwp.cpp
+ src/CostFunctions/CostFuncUnweightedLeastSquares.cpp
src/FitMW.cpp
- src/FitPowderDiffPeaks.cpp
- src/FlatBackground.cpp
- src/FullprofPolynomial.cpp
+ src/FuncMinimizers/BFGS_Minimizer.cpp
+ src/FuncMinimizers/DampingMinimizer.cpp
+ src/FuncMinimizers/DerivMinimizer.cpp
+ src/FuncMinimizers/FABADAMinimizer.cpp
+ src/FuncMinimizers/FRConjugateGradientMinimizer.cpp
+ src/FuncMinimizers/LevenbergMarquardtMDMinimizer.cpp
+ src/FuncMinimizers/LevenbergMarquardtMinimizer.cpp
+ src/FuncMinimizers/PRConjugateGradientMinimizer.cpp
+ src/FuncMinimizers/SimplexMinimizer.cpp
+ src/FuncMinimizers/SteepestDescentMinimizer.cpp
src/FunctionDomain1DSpectrumCreator.cpp
+ src/Functions/Abragam.cpp
+ src/Functions/BSpline.cpp
+ src/Functions/BackToBackExponential.cpp
+ src/Functions/BackgroundFunction.cpp
+ src/Functions/BivariateNormal.cpp
+ src/Functions/Bk2BkExpConvPV.cpp
+ src/Functions/ChebfunBase.cpp
+ src/Functions/Chebyshev.cpp
+ src/Functions/ComptonPeakProfile.cpp
+ src/Functions/ComptonProfile.cpp
+ src/Functions/ComptonScatteringCountRate.cpp
+ src/Functions/Convolution.cpp
+ src/Functions/CubicSpline.cpp
+ src/Functions/DeltaFunction.cpp
+ src/Functions/DiffRotDiscreteCircle.cpp
+ src/Functions/DiffSphere.cpp
+ src/Functions/DynamicKuboToyabe.cpp
+ src/Functions/EndErfc.cpp
+ src/Functions/ExpDecay.cpp
+ src/Functions/ExpDecayMuon.cpp
+ src/Functions/ExpDecayOsc.cpp
+ src/Functions/FlatBackground.cpp
+ src/Functions/FullprofPolynomial.cpp
+ src/Functions/GausDecay.cpp
+ src/Functions/GausOsc.cpp
+ src/Functions/Gaussian.cpp
+ src/Functions/GaussianComptonProfile.cpp
+ src/Functions/GramCharlierComptonProfile.cpp
+ src/Functions/IkedaCarpenterPV.cpp
+ src/Functions/LinearBackground.cpp
+ src/Functions/LogNormal.cpp
+ src/Functions/Lorentzian.cpp
+ src/Functions/Lorentzian1D.cpp
+ src/Functions/MuonFInteraction.cpp
+ src/Functions/NeutronBk2BkExpConvPVoigt.cpp
+ src/Functions/PawleyFunction.cpp
+ src/Functions/PeakParameterFunction.cpp
+ src/Functions/Polynomial.cpp
+ src/Functions/ProcessBackground.cpp
+ src/Functions/ProductFunction.cpp
+ src/Functions/ProductLinearExp.cpp
+ src/Functions/ProductQuadraticExp.cpp
+ src/Functions/PseudoVoigt.cpp
+ src/Functions/Quadratic.cpp
+ src/Functions/ReflectivityMulf.cpp
+ src/Functions/Resolution.cpp
+ src/Functions/SimpleChebfun.cpp
+ src/Functions/StaticKuboToyabe.cpp
+ src/Functions/StaticKuboToyabeTimesExpDecay.cpp
+ src/Functions/StaticKuboToyabeTimesGausDecay.cpp
+ src/Functions/StretchExp.cpp
+ src/Functions/StretchExpMuon.cpp
+ src/Functions/TabulatedFunction.cpp
+ src/Functions/ThermalNeutronBk2BkExpAlpha.cpp
+ src/Functions/ThermalNeutronBk2BkExpBeta.cpp
+ src/Functions/ThermalNeutronBk2BkExpConvPVoigt.cpp
+ src/Functions/ThermalNeutronBk2BkExpSigma.cpp
+ src/Functions/ThermalNeutronDtoTOFFunction.cpp
+ src/Functions/UserFunction.cpp
+ src/Functions/UserFunction1D.cpp
+ src/Functions/VesuvioResolution.cpp
+ src/Functions/Voigt.cpp
src/GSLFunctions.cpp
src/GSLMatrix.cpp
src/GSLVector.cpp
- src/GausDecay.cpp
- src/GausOsc.cpp
- src/Gaussian.cpp
- src/GaussianComptonProfile.cpp
- src/GramCharlierComptonProfile.cpp
src/IFittingAlgorithm.cpp
- src/IkedaCarpenterPV.cpp
src/LatticeDomainCreator.cpp
src/LatticeFunction.cpp
- src/LeBailFit.cpp
- src/LeBailFunction.cpp
- src/LevenbergMarquardtMDMinimizer.cpp
- src/LevenbergMarquardtMinimizer.cpp
- src/LinearBackground.cpp
- src/LogNormal.cpp
- src/Lorentzian.cpp
- src/Lorentzian1D.cpp
src/MSVesuvioHelpers.cpp
src/MultiDomainCreator.cpp
- src/MuonFInteraction.cpp
- src/NeutronBk2BkExpConvPVoigt.cpp
- src/NormaliseByPeakArea.cpp
- src/PRConjugateGradientMinimizer.cpp
src/ParDomain.cpp
src/ParameterEstimator.cpp
- src/PawleyFit.cpp
- src/PawleyFunction.cpp
- src/PeakParameterFunction.cpp
- src/PlotPeakByLogValue.cpp
- src/Polynomial.cpp
- src/ProcessBackground.cpp
- src/ProductFunction.cpp
- src/ProductLinearExp.cpp
- src/ProductQuadraticExp.cpp
- src/PseudoVoigt.cpp
- src/Quadratic.cpp
- src/RefinePowderInstrumentParameters3.cpp
- src/ReflectivityMulf.cpp
- src/Resolution.cpp
src/SeqDomain.cpp
src/SeqDomainSpectrumCreator.cpp
- src/SimpleChebfun.cpp
- src/SimplexMinimizer.cpp
src/SpecialFunctionHelper.cpp
- src/SplineBackground.cpp
- src/SplineInterpolation.cpp
- src/SplineSmoothing.cpp
- src/StaticKuboToyabe.cpp
- src/StaticKuboToyabeTimesExpDecay.cpp
- src/StaticKuboToyabeTimesGausDecay.cpp
- src/SteepestDescentMinimizer.cpp
- src/StretchExp.cpp
- src/StretchExpMuon.cpp
- src/TabulatedFunction.cpp
- src/ThermalNeutronBk2BkExpAlpha.cpp
- src/ThermalNeutronBk2BkExpBeta.cpp
- src/ThermalNeutronBk2BkExpConvPVoigt.cpp
- src/ThermalNeutronBk2BkExpSigma.cpp
- src/ThermalNeutronDtoTOFFunction.cpp
- src/UserFunction.cpp
- src/UserFunction1D.cpp
- src/VesuvioResolution.cpp
- src/Voigt.cpp
)
set ( SRC_UNITY_IGNORE_FILES src/Fit1D.cpp src/GSLFunctions.cpp )
@@ -124,235 +125,237 @@ set ( INC_FILES
# inc/MantidCurveFitting/SCDPanelErrors.h
# inc/MantidCurveFitting/ChebyshevPolynomialBackground.h
#inc/MantidCurveFitting/RefinePowderInstrumentParameters.h
- inc/MantidCurveFitting/Abragam.h
+ inc/MantidCurveFitting/Algorithms/CalculateChiSquared.h
+ inc/MantidCurveFitting/Algorithms/CalculateGammaBackground.h
+ inc/MantidCurveFitting/Algorithms/CalculateMSVesuvio.h
+ inc/MantidCurveFitting/Algorithms/ConvertToYSpace.h
+ inc/MantidCurveFitting/Algorithms/ConvolveWorkspaces.h
+ inc/MantidCurveFitting/Algorithms/EstimatePeakErrors.h
+ inc/MantidCurveFitting/Algorithms/EvaluateFunction.h
+ inc/MantidCurveFitting/Algorithms/Fit.h
+ inc/MantidCurveFitting/Algorithms/Fit1D.h
+ inc/MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h
+ inc/MantidCurveFitting/Algorithms/LeBailFit.h
+ inc/MantidCurveFitting/Algorithms/LeBailFunction.h
+ inc/MantidCurveFitting/Algorithms/NormaliseByPeakArea.h
+ inc/MantidCurveFitting/Algorithms/PawleyFit.h
+ inc/MantidCurveFitting/Algorithms/PlotPeakByLogValue.h
+ inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
+ inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h
+ inc/MantidCurveFitting/Algorithms/SplineBackground.h
+ inc/MantidCurveFitting/Algorithms/SplineInterpolation.h
+ inc/MantidCurveFitting/Algorithms/SplineSmoothing.h
inc/MantidCurveFitting/AugmentedLagrangianOptimizer.h
- inc/MantidCurveFitting/BFGS_Minimizer.h
- inc/MantidCurveFitting/BSpline.h
- inc/MantidCurveFitting/BackToBackExponential.h
- inc/MantidCurveFitting/BackgroundFunction.h
- inc/MantidCurveFitting/BivariateNormal.h
- inc/MantidCurveFitting/Bk2BkExpConvPV.h
- inc/MantidCurveFitting/BoundaryConstraint.h
- inc/MantidCurveFitting/CalculateChiSquared.h
- inc/MantidCurveFitting/CalculateGammaBackground.h
- inc/MantidCurveFitting/CalculateMSVesuvio.h
- inc/MantidCurveFitting/ChebfunBase.h
- inc/MantidCurveFitting/Chebyshev.h
- inc/MantidCurveFitting/ComptonPeakProfile.h
- inc/MantidCurveFitting/ComptonProfile.h
- inc/MantidCurveFitting/ComptonScatteringCountRate.h
- inc/MantidCurveFitting/ConvertToYSpace.h
- inc/MantidCurveFitting/Convolution.h
- inc/MantidCurveFitting/ConvolveWorkspaces.h
- inc/MantidCurveFitting/CostFuncFitting.h
- inc/MantidCurveFitting/CostFuncLeastSquares.h
- inc/MantidCurveFitting/CostFuncRwp.h
- inc/MantidCurveFitting/CostFuncUnweightedLeastSquares.h
- inc/MantidCurveFitting/CubicSpline.h
- inc/MantidCurveFitting/DampingMinimizer.h
- inc/MantidCurveFitting/DeltaFunction.h
- inc/MantidCurveFitting/DerivMinimizer.h
- inc/MantidCurveFitting/DiffRotDiscreteCircle.h
- inc/MantidCurveFitting/DiffSphere.h
+ inc/MantidCurveFitting/Constraints/BoundaryConstraint.h
+ inc/MantidCurveFitting/CostFunctions/CostFuncFitting.h
+ inc/MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h
+ inc/MantidCurveFitting/CostFunctions/CostFuncRwp.h
+ inc/MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h
inc/MantidCurveFitting/DllConfig.h
- inc/MantidCurveFitting/DynamicKuboToyabe.h
- inc/MantidCurveFitting/EndErfc.h
- inc/MantidCurveFitting/EstimatePeakErrors.h
- inc/MantidCurveFitting/EvaluateFunction.h
- inc/MantidCurveFitting/ExpDecay.h
- inc/MantidCurveFitting/ExpDecayMuon.h
- inc/MantidCurveFitting/ExpDecayOsc.h
- inc/MantidCurveFitting/FABADAMinimizer.h
- inc/MantidCurveFitting/FRConjugateGradientMinimizer.h
- inc/MantidCurveFitting/Fit.h
- inc/MantidCurveFitting/Fit1D.h
inc/MantidCurveFitting/FitMW.h
- inc/MantidCurveFitting/FitPowderDiffPeaks.h
- inc/MantidCurveFitting/FlatBackground.h
- inc/MantidCurveFitting/FullprofPolynomial.h
+ inc/MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/DampingMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/DerivMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h
+ inc/MantidCurveFitting/FuncMinimizers/SteepestDescentMinimizer.h
inc/MantidCurveFitting/FunctionDomain1DSpectrumCreator.h
+ inc/MantidCurveFitting/Functions/Abragam.h
+ inc/MantidCurveFitting/Functions/BSpline.h
+ inc/MantidCurveFitting/Functions/BackToBackExponential.h
+ inc/MantidCurveFitting/Functions/BackgroundFunction.h
+ inc/MantidCurveFitting/Functions/BivariateNormal.h
+ inc/MantidCurveFitting/Functions/Bk2BkExpConvPV.h
+ inc/MantidCurveFitting/Functions/ChebfunBase.h
+ inc/MantidCurveFitting/Functions/Chebyshev.h
+ inc/MantidCurveFitting/Functions/ComptonPeakProfile.h
+ inc/MantidCurveFitting/Functions/ComptonProfile.h
+ inc/MantidCurveFitting/Functions/ComptonScatteringCountRate.h
+ inc/MantidCurveFitting/Functions/Convolution.h
+ inc/MantidCurveFitting/Functions/CubicSpline.h
+ inc/MantidCurveFitting/Functions/DeltaFunction.h
+ inc/MantidCurveFitting/Functions/DiffRotDiscreteCircle.h
+ inc/MantidCurveFitting/Functions/DiffSphere.h
+ inc/MantidCurveFitting/Functions/DynamicKuboToyabe.h
+ inc/MantidCurveFitting/Functions/EndErfc.h
+ inc/MantidCurveFitting/Functions/ExpDecay.h
+ inc/MantidCurveFitting/Functions/ExpDecayMuon.h
+ inc/MantidCurveFitting/Functions/ExpDecayOsc.h
+ inc/MantidCurveFitting/Functions/FlatBackground.h
+ inc/MantidCurveFitting/Functions/FullprofPolynomial.h
+ inc/MantidCurveFitting/Functions/GausDecay.h
+ inc/MantidCurveFitting/Functions/GausOsc.h
+ inc/MantidCurveFitting/Functions/Gaussian.h
+ inc/MantidCurveFitting/Functions/GaussianComptonProfile.h
+ inc/MantidCurveFitting/Functions/GramCharlierComptonProfile.h
+ inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
+ inc/MantidCurveFitting/Functions/LinearBackground.h
+ inc/MantidCurveFitting/Functions/LogNormal.h
+ inc/MantidCurveFitting/Functions/Lorentzian.h
+ inc/MantidCurveFitting/Functions/Lorentzian1D.h
+ inc/MantidCurveFitting/Functions/MuonFInteraction.h
+ inc/MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h
+ inc/MantidCurveFitting/Functions/PawleyFunction.h
+ inc/MantidCurveFitting/Functions/PeakParameterFunction.h
+ inc/MantidCurveFitting/Functions/Polynomial.h
+ inc/MantidCurveFitting/Functions/ProcessBackground.h
+ inc/MantidCurveFitting/Functions/ProductFunction.h
+ inc/MantidCurveFitting/Functions/ProductLinearExp.h
+ inc/MantidCurveFitting/Functions/ProductQuadraticExp.h
+ inc/MantidCurveFitting/Functions/PseudoVoigt.h
+ inc/MantidCurveFitting/Functions/Quadratic.h
+ inc/MantidCurveFitting/Functions/ReflectivityMulf.h
+ inc/MantidCurveFitting/Functions/Resolution.h
+ inc/MantidCurveFitting/Functions/SimpleChebfun.h
+ inc/MantidCurveFitting/Functions/StaticKuboToyabe.h
+ inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h
+ inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h
+ inc/MantidCurveFitting/Functions/StretchExp.h
+ inc/MantidCurveFitting/Functions/StretchExpMuon.h
+ inc/MantidCurveFitting/Functions/TabulatedFunction.h
+ inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h
+ inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h
+ inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h
+ inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h
+ inc/MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h
+ inc/MantidCurveFitting/Functions/UserFunction.h
+ inc/MantidCurveFitting/Functions/UserFunction1D.h
+ inc/MantidCurveFitting/Functions/VesuvioResolution.h
+ inc/MantidCurveFitting/Functions/Voigt.h
inc/MantidCurveFitting/GSLFunctions.h
inc/MantidCurveFitting/GSLJacobian.h
inc/MantidCurveFitting/GSLMatrix.h
inc/MantidCurveFitting/GSLVector.h
- inc/MantidCurveFitting/GausDecay.h
- inc/MantidCurveFitting/GausOsc.h
- inc/MantidCurveFitting/Gaussian.h
- inc/MantidCurveFitting/GaussianComptonProfile.h
- inc/MantidCurveFitting/GramCharlierComptonProfile.h
inc/MantidCurveFitting/HalfComplex.h
inc/MantidCurveFitting/IFittingAlgorithm.h
- inc/MantidCurveFitting/IkedaCarpenterPV.h
inc/MantidCurveFitting/Jacobian.h
inc/MantidCurveFitting/LatticeDomainCreator.h
inc/MantidCurveFitting/LatticeFunction.h
- inc/MantidCurveFitting/LeBailFit.h
- inc/MantidCurveFitting/LeBailFunction.h
- inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h
- inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h
- inc/MantidCurveFitting/LinearBackground.h
- inc/MantidCurveFitting/LogNormal.h
- inc/MantidCurveFitting/Lorentzian.h
- inc/MantidCurveFitting/Lorentzian1D.h
inc/MantidCurveFitting/MSVesuvioHelpers.h
inc/MantidCurveFitting/MultiDomainCreator.h
- inc/MantidCurveFitting/MuonFInteraction.h
- inc/MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h
- inc/MantidCurveFitting/NormaliseByPeakArea.h
- inc/MantidCurveFitting/PRConjugateGradientMinimizer.h
inc/MantidCurveFitting/ParDomain.h
inc/MantidCurveFitting/ParameterEstimator.h
- inc/MantidCurveFitting/PawleyFit.h
- inc/MantidCurveFitting/PawleyFunction.h
- inc/MantidCurveFitting/PeakParameterFunction.h
- inc/MantidCurveFitting/PlotPeakByLogValue.h
- inc/MantidCurveFitting/Polynomial.h
- inc/MantidCurveFitting/ProcessBackground.h
- inc/MantidCurveFitting/ProductFunction.h
- inc/MantidCurveFitting/ProductLinearExp.h
- inc/MantidCurveFitting/ProductQuadraticExp.h
- inc/MantidCurveFitting/PseudoVoigt.h
- inc/MantidCurveFitting/Quadratic.h
- inc/MantidCurveFitting/RefinePowderInstrumentParameters3.h
- inc/MantidCurveFitting/ReflectivityMulf.h
- inc/MantidCurveFitting/Resolution.h
inc/MantidCurveFitting/SeqDomain.h
inc/MantidCurveFitting/SeqDomainSpectrumCreator.h
- inc/MantidCurveFitting/SimpleChebfun.h
- inc/MantidCurveFitting/SimplexMinimizer.h
inc/MantidCurveFitting/SpecialFunctionSupport.h
- inc/MantidCurveFitting/SplineBackground.h
- inc/MantidCurveFitting/SplineInterpolation.h
- inc/MantidCurveFitting/SplineSmoothing.h
- inc/MantidCurveFitting/StaticKuboToyabe.h
- inc/MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h
- inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h
- inc/MantidCurveFitting/SteepestDescentMinimizer.h
- inc/MantidCurveFitting/StretchExp.h
- inc/MantidCurveFitting/StretchExpMuon.h
- inc/MantidCurveFitting/TabulatedFunction.h
- inc/MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h
- inc/MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h
- inc/MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h
- inc/MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h
- inc/MantidCurveFitting/ThermalNeutronDtoTOFFunction.h
- inc/MantidCurveFitting/UserFunction.h
- inc/MantidCurveFitting/UserFunction1D.h
- inc/MantidCurveFitting/VesuvioResolution.h
- inc/MantidCurveFitting/Voigt.h
)
set ( TEST_FILES
# ChebyshevPolynomialBackgroundTest.h
# RefinePowderInstrumentParametersTest.h
#SCDPanelErrorsTest.h
- AbragamTest.h
+ Algorithms/CalculateChiSquaredTest.h
+ Algorithms/CalculateGammaBackgroundTest.h
+ Algorithms/CalculateMSVesuvioTest.h
+ Algorithms/ConvertToYSpaceTest.h
+ Algorithms/ConvolveWorkspacesTest.h
+ Algorithms/EstimatePeakErrorsTest.h
+ Algorithms/EvaluateFunctionTest.h
+ Algorithms/FitPowderDiffPeaksTest.h
+ Algorithms/FitTest.h
+ Algorithms/LeBailFitTest.h
+ Algorithms/LeBailFunctionTest.h
+ Algorithms/NormaliseByPeakAreaTest.h
+ Algorithms/PawleyFitTest.h
+ Algorithms/PlotPeakByLogValueTest.h
+ Algorithms/RefinePowderInstrumentParameters3Test.h
+ Algorithms/RefinePowderInstrumentParametersTest.h
+ Algorithms/SeqDomainSpectrumCreatorTest.h
+ Algorithms/SplineBackgroundTest.h
+ Algorithms/SplineInterpolationTest.h
+ Algorithms/SplineSmoothingTest.h
AugmentedLagrangianOptimizerTest.h
- BFGSTest.h
- BSplineTest.h
- BackToBackExponentialTest.h
- BivariateNormalTest.h
- Bk2BkExpConvPVTest.h
- BoundaryConstraintTest.h
- CalculateChiSquaredTest.h
- CalculateGammaBackgroundTest.h
- CalculateMSVesuvioTest.h
- ChebfunBaseTest.h
- ChebyshevTest.h
CompositeFunctionTest.h
- ComptonPeakProfileTest.h
- ComptonProfileTest.h
- ComptonScatteringCountRateTest.h
- ConvertToYSpaceTest.h
- ConvolutionTest.h
- ConvolveWorkspacesTest.h
- CostFuncUnweightedLeastSquaresTest.h
- CubicSplineTest.h
- DampingMinimizerTest.h
- DeltaFunctionTest.h
- DiffRotDiscreteCircleTest.h
- DiffSphereTest.h
- DynamicKuboToyabeTest.h
- EndErfcTest.h
- EstimatePeakErrorsTest.h
- EvaluateFunctionTest.h
- ExpDecayMuonTest.h
- ExpDecayOscTest.h
- ExpDecayTest.h
- FABADAMinimizerTest.h
- FRConjugateGradientTest.h
+ Constraints/BoundaryConstraintTest.h
+ CostFunctions/CostFuncUnweightedLeastSquaresTest.h
+ CostFunctions/LeastSquaresTest.h
FitMWTest.h
- FitPowderDiffPeaksTest.h
- FitTest.h
- FlatBackgroundTest.h
- FullprofPolynomialTest.h
+ FuncMinimizers/BFGSTest.h
+ FuncMinimizers/DampingMinimizerTest.h
+ FuncMinimizers/FABADAMinimizerTest.h
+ FuncMinimizers/FRConjugateGradientTest.h
+ FuncMinimizers/LevenbergMarquardtMDTest.h
+ FuncMinimizers/LevenbergMarquardtTest.h
+ FuncMinimizers/PRConjugateGradientTest.h
+ FuncMinimizers/SimplexTest.h
FunctionDomain1DSpectrumCreatorTest.h
FunctionFactoryConstraintTest.h
FunctionParameterDecoratorFitTest.h
+ Functions/AbragamTest.h
+ Functions/BSplineTest.h
+ Functions/BackToBackExponentialTest.h
+ Functions/BivariateNormalTest.h
+ Functions/Bk2BkExpConvPVTest.h
+ Functions/ChebfunBaseTest.h
+ Functions/ChebyshevTest.h
+ Functions/ComptonPeakProfileTest.h
+ Functions/ComptonProfileTest.h
+ Functions/ComptonScatteringCountRateTest.h
+ Functions/ConvolutionTest.h
+ Functions/CubicSplineTest.h
+ Functions/DeltaFunctionTest.h
+ Functions/DiffRotDiscreteCircleTest.h
+ Functions/DiffSphereTest.h
+ Functions/DynamicKuboToyabeTest.h
+ Functions/EndErfcTest.h
+ Functions/ExpDecayMuonTest.h
+ Functions/ExpDecayOscTest.h
+ Functions/ExpDecayTest.h
+ Functions/FlatBackgroundTest.h
+ Functions/FullprofPolynomialTest.h
+ Functions/GausDecayTest.h
+ Functions/GausOscTest.h
+ Functions/GaussianComptonProfileTest.h
+ Functions/GaussianTest.h
+ Functions/GramCharlierComptonProfileTest.h
+ Functions/IkedaCarpenterPVTest.h
+ Functions/LinearBackgroundTest.h
+ Functions/LogNormalTest.h
+ Functions/Lorentzian1DTest.h
+ Functions/LorentzianTest.h
+ Functions/MuonFInteractionTest.h
+ Functions/NeutronBk2BkExpConvPVoigtTest.h
+ Functions/PawleyFunctionTest.h
+ Functions/PeakParameterFunctionTest.h
+ Functions/PolynomialTest.h
+ Functions/ProcessBackgroundTest.h
+ Functions/ProductFunctionTest.h
+ Functions/ProductLinearExpTest.h
+ Functions/ProductQuadraticExpTest.h
+ Functions/PseudoVoigtTest.h
+ Functions/QuadraticTest.h
+ Functions/ReflectivityMulfTest.h
+ Functions/ResolutionTest.h
+ Functions/SimpleChebfunTest.h
+ Functions/StaticKuboToyabeTest.h
+ Functions/StaticKuboToyabeTimesExpDecayTest.h
+ Functions/StaticKuboToyabeTimesGausDecayTest.h
+ Functions/StretchExpMuonTest.h
+ Functions/StretchExpTest.h
+ Functions/TabulatedFunctionTest.h
+ Functions/ThermalNeutronBk2BkExpAlphaTest.h
+ Functions/ThermalNeutronBk2BkExpBetaTest.h
+ Functions/ThermalNeutronBk2BkExpConvPVoigtTest.h
+ Functions/ThermalNeutronBk2BkExpSigmaTest.h
+ Functions/ThermalNeutronDtoTOFFunctionTest.h
+ Functions/UserFunction1DTest.h
+ Functions/UserFunctionTest.h
+ Functions/VesuvioResolutionTest.h
+ Functions/VoigtTest.h
GSLMatrixTest.h
GSLVectorTest.h
- GausDecayTest.h
- GausOscTest.h
- GaussianComptonProfileTest.h
- GaussianTest.h
- GramCharlierComptonProfileTest.h
IPeakFunctionCentreParameterNameTest.h
IPeakFunctionIntensityTest.h
- IkedaCarpenterPVTest.h
LatticeDomainCreatorTest.h
LatticeFunctionTest.h
- LeBailFitTest.h
- LeBailFunctionTest.h
- LeastSquaresTest.h
- LevenbergMarquardtMDTest.h
- LevenbergMarquardtTest.h
- LinearBackgroundTest.h
- LogNormalTest.h
- Lorentzian1DTest.h
- LorentzianTest.h
MultiDomainCreatorTest.h
MultiDomainFunctionTest.h
- MuonFInteractionTest.h
- NeutronBk2BkExpConvPVoigtTest.h
- NormaliseByPeakAreaTest.h
- PRConjugateGradientTest.h
ParameterEstimatorTest.h
- PawleyFitTest.h
- PawleyFunctionTest.h
- PeakParameterFunctionTest.h
- PlotPeakByLogValueTest.h
- PolynomialTest.h
- ProcessBackgroundTest.h
- ProductFunctionTest.h
- ProductLinearExpTest.h
- ProductQuadraticExpTest.h
- PseudoVoigtTest.h
- QuadraticTest.h
- RefinePowderInstrumentParameters3Test.h
- ReflectivityMulfTest.h
- ResolutionTest.h
- SeqDomainSpectrumCreatorTest.h
- SimpleChebfunTest.h
- SimplexTest.h
SpecialFunctionSupportTest.h
- SplineBackgroundTest.h
- SplineInterpolationTest.h
- SplineSmoothingTest.h
- StaticKuboToyabeTest.h
- StaticKuboToyabeTimesExpDecayTest.h
- StaticKuboToyabeTimesGausDecayTest.h
- StretchExpMuonTest.h
- StretchExpTest.h
- TabulatedFunctionTest.h
- ThermalNeutronBk2BkExpAlphaTest.h
- ThermalNeutronBk2BkExpBetaTest.h
- ThermalNeutronBk2BkExpConvPVoigtTest.h
- ThermalNeutronBk2BkExpSigmaTest.h
- ThermalNeutronDtoTOFFunctionTest.h
- UserFunction1DTest.h
- UserFunctionTest.h
- VesuvioResolutionTest.h
- VoigtTest.h
)
if (COVERALLS)
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateChiSquared.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateChiSquared.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CalculateChiSquared.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateChiSquared.h
index 34d50d67839be92218d2d149aad8272f7c9ce575..867ec832b324d9ad2353e516c3235fc791d48ed4 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateChiSquared.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateChiSquared.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/**
@@ -51,6 +52,7 @@ private:
std::vector<size_t> m_fixedParameters;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateGammaBackground.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateGammaBackground.h
similarity index 87%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CalculateGammaBackground.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateGammaBackground.h
index 4cf7ebc54a20af54e0396148ebdf74ccbca95d21..ac575bb8035a120fd8e0e3cc51739cd693b26f2d 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateGammaBackground.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateGammaBackground.h
@@ -7,11 +7,14 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+struct ResolutionParams;
+}
+namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
-struct ResolutionParams;
/**
@@ -75,17 +78,17 @@ private:
void calculateBackgroundFromFoils(const size_t inputIndex,
const size_t outputIndex);
/// Compute expected background from single foil for spectrum at wsIndex
- void calculateBackgroundSingleFoil(std::vector<double> &ctfoil,
- const size_t wsIndex,
- const FoilInfo &foilInfo,
- const Kernel::V3D &detPos,
- const DetectorParams &detPar,
- const ResolutionParams &detRes);
+ void calculateBackgroundSingleFoil(
+ std::vector<double> &ctfoil, const size_t wsIndex,
+ const FoilInfo &foilInfo, const Kernel::V3D &detPos,
+ const DetectorParams &detPar,
+ const CurveFitting::Functions::ResolutionParams &detRes);
/// Compute a TOF spectrum for the given inputs & spectrum
- void calculateTofSpectrum(std::vector<double> &result,
- std::vector<double> &tmpWork, const size_t wsIndex,
- const DetectorParams &detpar,
- const ResolutionParams &respar);
+ void
+ calculateTofSpectrum(std::vector<double> &result,
+ std::vector<double> &tmpWork, const size_t wsIndex,
+ const DetectorParams &detpar,
+ const CurveFitting::Functions::ResolutionParams &respar);
/// Check and store appropriate input data
void retrieveInputs();
@@ -133,6 +136,7 @@ private:
API::Progress *m_progress;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateMSVesuvio.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateMSVesuvio.h
similarity index 93%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CalculateMSVesuvio.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateMSVesuvio.h
index 71b9767435f032f9d4564ec8ef53d4dd5ee160a6..96d84d452dadbbff40e58b32c09184768055420b 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CalculateMSVesuvio.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/CalculateMSVesuvio.h
@@ -9,16 +9,16 @@
namespace Mantid {
namespace CurveFitting {
-//-----------------------------------------------------------------------------
-// CurveFitting forward declarations
-//-----------------------------------------------------------------------------
-struct DetectorParams;
-struct ResolutionParams;
namespace MSVesuvioHelper {
class RandomNumberGenerator;
struct Simulation;
struct SimulationWithErrors;
}
+namespace Functions {
+struct ResolutionParams;
+}
+namespace Algorithms {
+struct DetectorParams;
/**
Calculates the multiple scattering & total scattering contributions
@@ -88,12 +88,13 @@ private:
void cacheInputs();
void calculateMS(const size_t wsIndex, API::ISpectrum &totalsc,
API::ISpectrum &multsc) const;
- void simulate(const DetectorParams &detpar, const ResolutionParams &respar,
+ void simulate(const DetectorParams &detpar,
+ const Functions::ResolutionParams &respar,
MSVesuvioHelper::Simulation &simulCounts) const;
void assignToOutput(const MSVesuvioHelper::SimulationWithErrors &avgCounts,
API::ISpectrum &totalsc, API::ISpectrum &multsc) const;
double calculateCounts(const DetectorParams &detpar,
- const ResolutionParams &respar,
+ const Functions::ResolutionParams &respar,
MSVesuvioHelper::Simulation &simulation) const;
// single-event helpers
@@ -116,7 +117,8 @@ private:
const double e1res) const;
// Member Variables
- MSVesuvioHelper::RandomNumberGenerator *m_randgen; // random number generator
+ CurveFitting::MSVesuvioHelper::RandomNumberGenerator *
+ m_randgen; // random number generator
size_t m_acrossIdx, m_upIdx, m_beamIdx; // indices of each direction
Kernel::V3D m_beamDir; // Directional vector for beam
@@ -136,6 +138,7 @@ private:
API::MatrixWorkspace_sptr m_inputWS;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ConvertToYSpace.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvertToYSpace.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ConvertToYSpace.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvertToYSpace.h
index c548e60ad362f48487a0dfdb134dc85c73cfccdd..6ed4648408a367518609fab46670ec8d4c4dbe18 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ConvertToYSpace.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvertToYSpace.h
@@ -5,6 +5,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/// Simple data structure to store nominal detector values
/// It avoids some functions taking a huge number of arguments
@@ -101,6 +102,7 @@ private:
API::MatrixWorkspace_sptr m_qOutputWS;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ConvolveWorkspaces.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvolveWorkspaces.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ConvolveWorkspaces.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvolveWorkspaces.h
index 30ad9f3f040bf284b2274e08dbd3753b665eff41..19fa08127b0e1a54c8fdd6a0a6594e1faba251ec 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ConvolveWorkspaces.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/ConvolveWorkspaces.h
@@ -9,12 +9,13 @@
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidCurveFitting/CubicSpline.h"
+#include "MantidCurveFitting/Functions/CubicSpline.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidAPI/IFunction1D.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** Convolution of two workspaces
Copyright © 2012 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
@@ -65,6 +66,7 @@ private:
API::Progress *prog;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/EstimatePeakErrors.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EstimatePeakErrors.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/EstimatePeakErrors.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EstimatePeakErrors.h
index fa886873c50b189aa5aab1cb5bc594f5b5a98c5b..c16a6b037959f973eed6c93204d73d11ed92ac45 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/EstimatePeakErrors.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EstimatePeakErrors.h
@@ -5,6 +5,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
//---------------------------------------------------------------------------
/**
@@ -44,6 +45,7 @@ private:
void exec();
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/EvaluateFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EvaluateFunction.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/EvaluateFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EvaluateFunction.h
index 48bfd7abe57983d68d45b5c817c6361fb06313fa..55be4b63901ced996a404c85b2980f8702f52d29 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/EvaluateFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/EvaluateFunction.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/**
@@ -44,6 +45,7 @@ private:
void execConcrete();
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Fit.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Fit.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit.h
index baaf264d06d012cfa0efda8169d7ae9181d28c68..20c76810d8a5affe143d42be189d9fd0b77ca9d6 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Fit.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit.h
@@ -20,6 +20,7 @@ class IFuncMinimizer;
}
namespace CurveFitting {
+namespace Algorithms {
/**
A generic fitting algorithm. It fits a function to some data in a workspace.
@@ -114,6 +115,7 @@ protected:
void copyMinimizerOutput(const API::IFuncMinimizer &minimizer);
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Fit1D.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit1D.h
similarity index 99%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Fit1D.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit1D.h
index 132ce49ede9e9ea965ca0537a32b2925355d4b0c..9cfc546a20c3023fc0d609560b8d3eece550cf72 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Fit1D.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit1D.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/**
Deprecation notice: instead of using this algorithm please use the Fit algorithm
instead.
@@ -140,6 +141,7 @@ protected:
friend struct FitData;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/FitPowderDiffPeaks.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h
similarity index 77%
rename from Framework/CurveFitting/inc/MantidCurveFitting/FitPowderDiffPeaks.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h
index 1fe1d2551ebe75f32516f0077b138a6c153f8fc3..5436f304f29d3fd7a7076d4dcfca9dab48dd0b03 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/FitPowderDiffPeaks.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h
@@ -8,13 +8,14 @@
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
-#include "MantidCurveFitting/Polynomial.h"
-#include "MantidCurveFitting/BackToBackExponential.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
+#include "MantidCurveFitting/Functions/BackToBackExponential.h"
#include "MantidGeometry/Crystal/UnitCell.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** FitPowderDiffPeaks : Fit peaks in powder diffraction pattern.
@@ -88,7 +89,7 @@ private:
void genPeaksFromTable(DataObjects::TableWorkspace_sptr peakparamws);
/// Generate a peak
- BackToBackExponential_sptr
+ Functions::BackToBackExponential_sptr
genPeak(std::map<std::string, int> hklmap,
std::map<std::string, double> parammap,
std::map<std::string, std::string> bk2bk2braggmap, bool &good,
@@ -114,62 +115,66 @@ private:
void fitPeaksRobust();
/// Fit a single peak
- bool fitPeak(BackToBackExponential_sptr peak,
- BackgroundFunction_sptr background, double leftdev,
+ bool fitPeak(Functions::BackToBackExponential_sptr peak,
+ Functions::BackgroundFunction_sptr background, double leftdev,
double rightdev, size_t m_wsIndex, double &chi2);
//---------------------------------------------------------------------------
/// Fit single peak in robust mode (no hint)
- bool fitSinglePeakRobust(BackToBackExponential_sptr peak,
- BackgroundFunction_sptr background, double leftdev,
- double rightdev,
- std::map<std::string, double> rightpeakparammap,
- double &finalchi2);
+ bool
+ fitSinglePeakRobust(Functions::BackToBackExponential_sptr peak,
+ Functions::BackgroundFunction_sptr backgroundfunction,
+ double leftdev, double rightdev,
+ std::map<std::string, double> rightpeakparammap,
+ double &finalchi2);
/// Fit signle peak by Monte Carlo/simulated annealing
- bool fitSinglePeakSimulatedAnnealing(BackToBackExponential_sptr peak,
- std::vector<std::string> paramtodomc);
+ bool
+ fitSinglePeakSimulatedAnnealing(Functions::BackToBackExponential_sptr peak,
+ std::vector<std::string> paramtodomc);
/// Fit peak with confidence of the centre
- bool fitSinglePeakConfidentX(BackToBackExponential_sptr peak);
+ bool fitSinglePeakConfidentX(Functions::BackToBackExponential_sptr peak);
/// Fit peak with trustful peak parameters
- bool fitSinglePeakConfident(BackToBackExponential_sptr peak,
- BackgroundFunction_sptr backgroundfunction,
- double leftbound, double rightbound, double &chi2,
- bool &annhilatedpeak);
+ bool
+ fitSinglePeakConfident(Functions::BackToBackExponential_sptr peak,
+ Functions::BackgroundFunction_sptr backgroundfunction,
+ double leftbound, double rightbound, double &chi2,
+ bool &annhilatedpeak);
/// Fit peak with confident parameters
bool fitSinglePeakConfidentY(DataObjects::Workspace2D_sptr dataws,
- BackToBackExponential_sptr peak,
+ Functions::BackToBackExponential_sptr peak,
double dampingfactor);
/// Fit peaks with confidence in fwhm and etc.
- bool fitOverlappedPeaks(std::vector<BackToBackExponential_sptr> peaks,
- BackgroundFunction_sptr backgroundfunction,
- double gfwhm);
+ bool
+ fitOverlappedPeaks(std::vector<Functions::BackToBackExponential_sptr> peaks,
+ Functions::BackgroundFunction_sptr backgroundfunction,
+ double gfwhm);
/// Fit multiple (overlapped) peaks
- bool doFitMultiplePeaks(DataObjects::Workspace2D_sptr dataws, size_t wsindex,
- API::CompositeFunction_sptr peaksfunc,
- std::vector<BackToBackExponential_sptr> peakfuncs,
- std::vector<bool> &vecfitgood,
- std::vector<double> &vecchi2s);
+ bool doFitMultiplePeaks(
+ DataObjects::Workspace2D_sptr dataws, size_t wsindex,
+ API::CompositeFunction_sptr peaksfunc,
+ std::vector<Functions::BackToBackExponential_sptr> peakfuncs,
+ std::vector<bool> &vecfitgood, std::vector<double> &vecchi2s);
/// Use Le Bail method to estimate and set the peak heights
- void estimatePeakHeightsLeBail(DataObjects::Workspace2D_sptr dataws,
- size_t wsindex,
- std::vector<BackToBackExponential_sptr> peaks);
+ void estimatePeakHeightsLeBail(
+ DataObjects::Workspace2D_sptr dataws, size_t wsindex,
+ std::vector<Functions::BackToBackExponential_sptr> peaks);
/// Set constraints on a group of overlapped peaks for fitting
- void
- setOverlappedPeaksConstraints(std::vector<BackToBackExponential_sptr> peaks);
+ void setOverlappedPeaksConstraints(
+ std::vector<Functions::BackToBackExponential_sptr> peaks);
/// Fit 1 peak by 1 minimizer of 1 call of minimzer (simple version)
bool doFit1PeakSimple(DataObjects::Workspace2D_sptr dataws,
size_t workspaceindex,
- BackToBackExponential_sptr peakfunction,
+ Functions::BackToBackExponential_sptr peakfunction,
std::string minimzername, size_t maxiteration,
double &chi2);
@@ -181,25 +186,26 @@ private:
// string minimzername, size_t maxiteration, double &chi2);
/// Fit single peak with background to raw data
- bool doFit1PeakBackground(DataObjects::Workspace2D_sptr dataws,
- size_t wsindex, BackToBackExponential_sptr peak,
- BackgroundFunction_sptr backgroundfunction,
- double &chi2);
+ bool
+ doFit1PeakBackground(DataObjects::Workspace2D_sptr dataws, size_t wsindex,
+ Functions::BackToBackExponential_sptr peak,
+ Functions::BackgroundFunction_sptr backgroundfunction,
+ double &chi2);
/// Fit 1 peak by using a sequential of minimizer
bool doFit1PeakSequential(DataObjects::Workspace2D_sptr dataws,
size_t workspaceindex,
- BackToBackExponential_sptr peakfunction,
+ Functions::BackToBackExponential_sptr peakfunction,
std::vector<std::string> minimzernames,
std::vector<size_t> maxiterations,
std::vector<double> dampfactors, double &chi2);
/// Fit N overlapped peaks in a simple manner
- bool doFitNPeaksSimple(DataObjects::Workspace2D_sptr dataws, size_t wsindex,
- API::CompositeFunction_sptr peaksfunc,
- std::vector<BackToBackExponential_sptr> peakfuncs,
- std::string minimizername, size_t maxiteration,
- double &chi2);
+ bool doFitNPeaksSimple(
+ DataObjects::Workspace2D_sptr dataws, size_t wsindex,
+ API::CompositeFunction_sptr peaksfunc,
+ std::vector<Functions::BackToBackExponential_sptr> peakfuncs,
+ std::string minimizername, size_t maxiteration, double &chi2);
/// Store the function's parameter values to a map
void storeFunctionParameters(API::IFunction_sptr function,
@@ -241,15 +247,15 @@ private:
// double leftbound, double rightbound);
/// Estimate the range of a single peak
- bool estimateSinglePeakRange(BackToBackExponential_sptr peak,
- BackgroundFunction_sptr background,
- BackToBackExponential_sptr rightpeak,
+ bool estimateSinglePeakRange(Functions::BackToBackExponential_sptr peak,
+ Functions::BackgroundFunction_sptr background,
+ Functions::BackToBackExponential_sptr rightpeak,
double fwhm, bool ismostright, size_t m_wsIndex,
double &chi2);
/// Observe peak range with hint from right peak's properties
- void observePeakRange(BackToBackExponential_sptr thispeak,
- BackToBackExponential_sptr rightpeak,
+ void observePeakRange(Functions::BackToBackExponential_sptr thispeak,
+ Functions::BackToBackExponential_sptr rightpeak,
double refpeakshift, double &peakleftbound,
double &peakrightbound);
@@ -266,17 +272,19 @@ private:
/// Fit background function by removing the peak properly
bool doFitBackground(DataObjects::Workspace2D_sptr dataws,
- BackgroundFunction_sptr background, double leftpeakbound,
- double rightpeakbound);
+ Functions::BackgroundFunction_sptr background,
+ double leftpeakbound, double rightpeakbound);
/// Fit single peak without background
- std::pair<bool, double> doFitPeak_Old(DataObjects::Workspace2D_sptr dataws,
- BackToBackExponential_sptr peak,
- double guessedfwhm, bool calchi2);
+ std::pair<bool, double>
+ doFitPeak_Old(DataObjects::Workspace2D_sptr dataws,
+ Functions::BackToBackExponential_sptr peak, double guessedfwhm,
+ bool calchi2);
- std::pair<bool, double> doFitPeak(DataObjects::Workspace2D_sptr dataws,
- BackToBackExponential_sptr peakfunction,
- double guessedfwhm);
+ std::pair<bool, double>
+ doFitPeak(DataObjects::Workspace2D_sptr dataws,
+ Functions::BackToBackExponential_sptr peakfunction,
+ double guessedfwhm);
/// Fit background-removed peak by Gaussian
bool doFitGaussianPeak(DataObjects::Workspace2D_sptr dataws, size_t m_wsIndex,
@@ -289,7 +297,7 @@ private:
/// Calcualte the value of a single peak in a given range.
void calculate1PeakGroup(std::vector<size_t> peakindexes,
- BackgroundFunction_sptr background);
+ Functions::BackgroundFunction_sptr background);
/// Parse the fitting result
std::string parseFitResult(API::IAlgorithm_sptr fitalg, double &chi2,
@@ -312,7 +320,7 @@ private:
/// Plot a single peak to output vector
void plotFunction(API::IFunction_sptr peakfunction,
- BackgroundFunction_sptr background,
+ Functions::BackgroundFunction_sptr background,
API::FunctionDomain1DVector domain);
//-----------------------------------------------------------------------------------------------
@@ -331,8 +339,9 @@ private:
// CurveFitting::BackToBackExponential_sptr> m_peaksmap;
/// Sorted vector for peaks. double = d_h, vector = (HKL), peak
- std::vector<std::pair<
- double, std::pair<std::vector<int>, BackToBackExponential_sptr>>>
+ std::vector<
+ std::pair<double, std::pair<std::vector<int>,
+ Functions::BackToBackExponential_sptr>>>
m_vecPeakFunctions;
/// Peak fitting information
@@ -415,7 +424,7 @@ inline double linearInterpolateY(double x0, double xf, double y0, double yf,
/// Estimate background for a pattern in a coarse mode
void estimateBackgroundCoarse(DataObjects::Workspace2D_sptr dataws,
- BackgroundFunction_sptr background,
+ Functions::BackgroundFunction_sptr background,
size_t wsindexraw, size_t wsindexbkgd,
size_t wsindexpeak);
@@ -434,6 +443,7 @@ size_t findMaxValue(API::MatrixWorkspace_sptr dataws, size_t wsindex,
/// Get function parameter name, value and etc information in string
std::string getFunctionInfo(API::IFunction_sptr function);
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFit.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFit.h
index cd60219519794d3d0e53e12965233f4402904dfb..dd92a572da7db455acf9c7552bbc80132b9fb799 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFit.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFit.h
@@ -3,19 +3,20 @@
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
-#include "MantidCurveFitting/LeBailFunction.h"
+#include "MantidCurveFitting/Algorithms/LeBailFunction.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidAPI/IFunction.h"
#include <gsl/gsl_sf_erf.h>
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** LeBailFit : Algorithm to do Le Bail Fit.
The workflow and architecture of this algorithm is different from LeBailFit,
@@ -136,7 +137,7 @@ private:
/// Examine whether the insturment parameter set to a peak can cause a valid
/// set of peak profile of that peak
bool examinInstrumentParameterValid(
- CurveFitting::ThermalNeutronBk2BkExpConvPVoigt_sptr peak, double &d_h,
+ Functions::ThermalNeutronBk2BkExpConvPVoigt_sptr peak, double &d_h,
double &tof_h, std::string &errmsg);
/// Set parameters to each peak
@@ -161,14 +162,13 @@ private:
/// Group peaks together
void groupPeaks(std::vector<std::vector<
- std::pair<double, CurveFitting::ThermalNeutronBk2BkExpConvPVoigt_sptr>>> &
+ std::pair<double, Functions::ThermalNeutronBk2BkExpConvPVoigt_sptr>>> &
peakgroupvec);
/// Calcualate the peak heights of a group of overlapped peaks
bool calculateGroupPeakIntensities(
std::vector<std::pair<
- double, CurveFitting::ThermalNeutronBk2BkExpConvPVoigt_sptr>>
- peakgroup,
+ double, Functions::ThermalNeutronBk2BkExpConvPVoigt_sptr>> peakgroup,
API::MatrixWorkspace_sptr dataws, size_t wsindex, bool zerobackground,
std::vector<double> &allpeaksvalues);
@@ -343,7 +343,7 @@ private:
-------------------------------*/
/// Background function
- CurveFitting::BackgroundFunction_sptr m_backgroundFunction;
+ Functions::BackgroundFunction_sptr m_backgroundFunction;
/// Function parameters updated by fit
std::map<std::string, Parameter>
@@ -474,6 +474,7 @@ void convertTableWorkspaceToMaps(
std::vector<std::map<std::string, std::string>> strmaps,
std::vector<std::map<std::string, double>> dblmaps);
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFunction.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LeBailFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFunction.h
index 3b46dfb4dd6b4312a2783cad39b6ece8344d76e7..656bdc5066bd66ef1a1f9d93a07be215c3e1447c 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LeBailFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/LeBailFunction.h
@@ -5,14 +5,17 @@
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAPI/IPowderDiffPeakFunction.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** LeBailFunction : LeBailFunction is to calculate peak intensities in a
composite
* function including neutron peak and background functions.
+ * Note: This is not a Mantid Fit Function, just a helper
+ * class to the algorithm
@date 2013-04-26 : original LeBailFunction is not used by any other functions.
And thus
@@ -174,7 +177,7 @@ private:
/// Composite functions for all peaks and background
API::CompositeFunction_sptr m_compsiteFunction;
/// Background function
- BackgroundFunction_sptr m_background;
+ Functions::BackgroundFunction_sptr m_background;
/// Parameters
std::map<std::string, double> m_functionParameters;
@@ -212,6 +215,7 @@ private:
typedef boost::shared_ptr<LeBailFunction> LeBailFunction_sptr;
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/NormaliseByPeakArea.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/NormaliseByPeakArea.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/NormaliseByPeakArea.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/NormaliseByPeakArea.h
index 56ae1b98d345e495576ea53cf04931ecaebae29d..4cfac079922ccc7d1b7579199dad4aae0f9fc293 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/NormaliseByPeakArea.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/NormaliseByPeakArea.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/**
@@ -87,6 +88,7 @@ private:
API::Progress *m_progress;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFit.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PawleyFit.h
similarity index 87%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PawleyFit.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PawleyFit.h
index c1c78b1044cd34e7e7a24c9d3277b1ae0b9098ba..7bddf3ec39884df67505bda3e8c5f800eda0ed2e 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFit.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PawleyFit.h
@@ -5,11 +5,12 @@
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidAPI/TableRow.h"
-#include "MantidCurveFitting/PawleyFunction.h"
+#include "MantidCurveFitting/Functions/PawleyFunction.h"
#include "MantidKernel/Unit.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** @class V3DFromHKLColumnExtractor
@@ -76,18 +77,18 @@ public:
protected:
double getTransformedCenter(double d, const Kernel::Unit_sptr &unit) const;
- void addHKLsToFunction(PawleyFunction_sptr &pawleyFn,
+ void addHKLsToFunction(Functions::PawleyFunction_sptr &pawleyFn,
const API::ITableWorkspace_sptr &tableWs,
const Kernel::Unit_sptr &unit, double startX,
double endX) const;
API::ITableWorkspace_sptr
- getLatticeFromFunction(const PawleyFunction_sptr &pawleyFn) const;
- API::ITableWorkspace_sptr
- getPeakParametersFromFunction(const PawleyFunction_sptr &pawleyFn) const;
+ getLatticeFromFunction(const Functions::PawleyFunction_sptr &pawleyFn) const;
+ API::ITableWorkspace_sptr getPeakParametersFromFunction(
+ const Functions::PawleyFunction_sptr &pawleyFn) const;
API::IFunction_sptr
- getCompositeFunction(const PawleyFunction_sptr &pawleyFn) const;
+ getCompositeFunction(const Functions::PawleyFunction_sptr &pawleyFn) const;
void init();
void exec();
@@ -95,6 +96,7 @@ protected:
Kernel::Unit_sptr m_dUnit;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PlotPeakByLogValue.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PlotPeakByLogValue.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PlotPeakByLogValue.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PlotPeakByLogValue.h
index 891f455c6e78482bd644cc1a74e8a563730eded7..0c0acc74d34543a09c5202729c92f1c91aebdfaf 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PlotPeakByLogValue.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/PlotPeakByLogValue.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/**
Takes a workspace group and fits the same spectrum in all workspaces with
@@ -119,6 +120,7 @@ private:
std::map<std::string, std::vector<std::string>> m_minimizerWorkspaces;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
similarity index 88%
rename from Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
index debe7054a8bbfc3ff26d11c0638cd687034fec87..9d3eeba57a4f02f257190c767a07f51f4f6f6df0 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
@@ -8,15 +8,16 @@
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
-#include "MantidCurveFitting/Polynomial.h"
-#include "MantidCurveFitting/BackToBackExponential.h"
-#include "MantidCurveFitting/ThermalNeutronDtoTOFFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
+#include "MantidCurveFitting/Functions/BackToBackExponential.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h"
#include "MantidAPI/FunctionDomain.h"
#include "MantidAPI/FunctionValues.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** RefinePowderInstrumentParameters : Algorithm to refine instrument geometry
parameters only.
@@ -151,43 +152,43 @@ private:
//--------------- Class Variables -------------------
/// Output Workspace containing the dspacing ~ TOF peak positions
- DataObjects::Workspace2D_sptr dataWS;
+ DataObjects::Workspace2D_sptr m_dataWS;
/// Map for all peaks to fit individually
- std::map<std::vector<int>, CurveFitting::BackToBackExponential_sptr> mPeaks;
+ std::map<std::vector<int>, Functions::BackToBackExponential_sptr> m_Peaks;
/// Map for all peaks' error (fitted vs. experimental): [HKL]: Chi^2
- std::map<std::vector<int>, double> mPeakErrors;
+ std::map<std::vector<int>, double> m_PeakErrors;
/// Map for function (instrument parameter)
- std::map<std::string, double> mFuncParameters;
+ std::map<std::string, double> m_FuncParameters;
/// Map to store the original (input) parameters
- std::map<std::string, double> mOrigParameters;
+ std::map<std::string, double> m_OrigParameters;
/// Peak function parameter names
- std::vector<std::string> mPeakFunctionParameterNames;
+ std::vector<std::string> m_PeakFunctionParameterNames;
/// N sets of the peak parameter values for the best N chi2 for MC. It is
/// paired with mPeakFunctionParameterNames
- std::vector<std::pair<double, std::vector<double>>> mBestMCParameters;
+ std::vector<std::pair<double, std::vector<double>>> m_BestMCParameters;
/// N sets of the peak parameter values for the best N chi2 for MC. It is
/// paired with mPeakFunctionParameterNames
- std::vector<std::pair<double, std::vector<double>>> mBestFitParameters;
+ std::vector<std::pair<double, std::vector<double>>> m_BestFitParameters;
/// N sets of the homemade chi2 and gsl chi2
- std::vector<std::pair<double, double>> mBestFitChi2s;
+ std::vector<std::pair<double, double>> m_BestFitChi2s;
/// Best Chi2 ever
- double mBestGSLChi2;
+ double m_BestGSLChi2;
/// Minimum allowed sigma of a peak
- double mMinSigma;
+ double m_MinSigma;
/// Minimum number of fitted peaks for refinement
- size_t mMinNumFittedPeaks;
+ size_t m_MinNumFittedPeaks;
/// Maximum number of data stored
- size_t mMaxNumberStoredParameters;
+ size_t m_MaxNumberStoredParameters;
/// Modelling function
- CurveFitting::ThermalNeutronDtoTOFFunction_sptr mFunction;
+ Functions::ThermalNeutronDtoTOFFunction_sptr m_Function;
};
/** Formular for linear iterpolation: X = [(xf-x0)*Y - (xf*y0-x0*yf)]/(yf-y0)
@@ -206,6 +207,7 @@ inline double linearInterpolateY(double x0, double xf, double y0, double yf,
return y;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters3.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters3.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h
index 3af13a083e66cdfd186c9115c029b3ade0b6a252..56875c6c88568c1c49d67c13d29018a34627fb3b 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/RefinePowderInstrumentParameters3.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h
@@ -8,12 +8,13 @@
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
-#include "MantidCurveFitting/LeBailFit.h"
-#include "MantidCurveFitting/ThermalNeutronDtoTOFFunction.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/LeBailFit.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** RefinePowderInstrumentParameters3 :
@@ -183,7 +184,7 @@ private:
std::map<std::string, Parameter> m_profileParameters;
/// My function for peak positions
- ThermalNeutronDtoTOFFunction_sptr m_positionFunc;
+ Functions::ThermalNeutronDtoTOFFunction_sptr m_positionFunc;
/// Damping factor
double m_dampingFactor;
@@ -226,6 +227,7 @@ double calculateFunctionChiSquare(const std::vector<double> &modelY,
const std::vector<double> &dataY,
const std::vector<double> &dataE);
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SplineBackground.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineBackground.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SplineBackground.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineBackground.h
index 53d877e613b3670c049e7683fa8f5c8c83114ca1..9aa91c96228c809036a56bac61cf5da9e9e01a36 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SplineBackground.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineBackground.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** SplineBackground
@@ -61,6 +62,7 @@ private:
void exec();
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SplineInterpolation.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineInterpolation.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SplineInterpolation.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineInterpolation.h
index b75259124c0cd45b1a657154a0b15d23a784cbe2..fbb797729d6c07784b7d6fa7efed53a4bfec8d2f 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SplineInterpolation.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineInterpolation.h
@@ -3,10 +3,11 @@
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
-#include "MantidCurveFitting/CubicSpline.h"
+#include "MantidCurveFitting/Functions/CubicSpline.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** Takes two workspaces as input. One contain a set of points which define a
spline,
@@ -62,7 +63,7 @@ private:
void exec();
/// CubicSpline member used to perform interpolation
- boost::shared_ptr<CubicSpline> m_cspline;
+ boost::shared_ptr<Functions::CubicSpline> m_cspline;
/// setup an output workspace using meta data from inws and taking a number of
/// spectra
@@ -91,6 +92,7 @@ private:
int order) const;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SplineSmoothing.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineSmoothing.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SplineSmoothing.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineSmoothing.h
index 3c95fe4d0f927d458811de8854ffba1ab3ea2b70..ee17aa3dca0fb55f9ece30aee9b9fb5fc0cc8503 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SplineSmoothing.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/SplineSmoothing.h
@@ -4,10 +4,11 @@
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidCurveFitting/BSpline.h"
+#include "MantidCurveFitting/Functions/BSpline.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/** Takes a 2D workspace and produces an output workspace containing a smoothed
version of the data by selecting
@@ -106,7 +107,7 @@ private:
void performAdditionalFitting(API::MatrixWorkspace_sptr ws, const int row);
/// CubicSpline member used to perform smoothing
- boost::shared_ptr<BSpline> m_cspline;
+ boost::shared_ptr<Functions::BSpline> m_cspline;
/// pointer to the input workspace
API::MatrixWorkspace_sptr m_inputWorkspace;
/// pointer to the input workspace converted to point data
@@ -117,6 +118,7 @@ private:
API::MatrixWorkspace_sptr m_outputWorkspace;
};
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BoundaryConstraint.h b/Framework/CurveFitting/inc/MantidCurveFitting/Constraints/BoundaryConstraint.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BoundaryConstraint.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Constraints/BoundaryConstraint.h
index 2b3301fa8ea844eea8951a2583b47df936d45c83..ef798c50e1afbe87ad21d94ee77fdd088c0bfa47 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BoundaryConstraint.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Constraints/BoundaryConstraint.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Constraints {
//----------------------------------------------------------------------
// Forward Declaration
//----------------------------------------------------------------------
@@ -142,6 +143,7 @@ private:
double m_upperBound;
};
+} // namespace Constraints
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncFitting.h b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncFitting.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CostFuncFitting.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncFitting.h
index 7bbc76c8bb8e07885624d8244efddb334a28d9d0..41cc8170906b0b63a589a46c417aa0fb4442a974 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncFitting.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncFitting.h
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
/** A semi-abstract class for a cost function for fitting functions.
Implement val(), deriv(), and valAndDeriv() methods in a concrete class.
@@ -100,6 +101,7 @@ protected:
mutable bool m_dirtyHessian; /// dirty hessian flag
};
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncIgnorePosPeaks.h b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncIgnorePosPeaks.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CostFuncIgnorePosPeaks.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncIgnorePosPeaks.h
index ffef9d6666730776e3cc435975acfafa650cf799..2a38310ecf35d42be1781cc744f35b342ffdfbb6 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncIgnorePosPeaks.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncIgnorePosPeaks.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
/** Cost function which allows positive peaks to be ignored and is suitable
for e.g. fitting the background
@@ -61,6 +62,7 @@ private:
const std::string m_name;
};
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h
index be05dae8779b0db76f5cd7ba9060ae7850cb4e99..9478d2ab3be0dd7fc4ee4b47e5d147f139741c96 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncLeastSquares.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h
@@ -4,7 +4,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncFitting.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
#include "MantidCurveFitting/GSLMatrix.h"
#include "MantidCurveFitting/GSLVector.h"
@@ -13,6 +13,7 @@ namespace CurveFitting {
class SeqDomain;
class ParDomain;
+namespace CostFunctions {
/** Cost function for least squares
@author Anders Markvardsen, ISIS, RAL
@@ -101,12 +102,13 @@ protected:
mutable double m_pushedValue;
mutable GSLVector m_pushedParams;
- friend class SeqDomain;
- friend class ParDomain;
+ friend class CurveFitting::SeqDomain;
+ friend class CurveFitting::ParDomain;
double m_factor;
};
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncRwp.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncRwp.h
index a58da7c674ccf477b2ff508921c8a133308e392d..4c5b04e99c27543c1150e0f06421ed9d57d418fb 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncRwp.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncRwp.h
@@ -4,7 +4,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidCurveFitting/GSLMatrix.h"
#include "MantidCurveFitting/GSLVector.h"
@@ -16,6 +16,8 @@ namespace CurveFitting {
class SeqDomain;
class ParDomain;
+namespace CostFunctions {
+
/** Cost function for Rwp = (sum_i (( obs_i - cal_i )/sigma_i)**2 ) / (sum_i
(obs_i/sigma_i)**2)
@@ -68,6 +70,7 @@ private:
double calSqrtW(API::FunctionValues_sptr values) const;
};
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncUnweightedLeastSquares.h b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CostFuncUnweightedLeastSquares.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h
index 17fc016bb426d6e2c37c534c89f796124d3bb7a5..85f979e8876e3206414b27f2a3173d1c7f0f20bf 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CostFuncUnweightedLeastSquares.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h
@@ -2,10 +2,11 @@
#define MANTID_CURVEFITTING_COSTFUNCUNWEIGHTEDLEASTSQUARES_H_
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
/** @class CostFuncUnweightedLeastSquares
*
@@ -53,6 +54,7 @@ protected:
double getResidualVariance() const;
};
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BFGS_Minimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BFGS_Minimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h
index dbafd43e1a5452b7c3d9efdf9a74de52dbb6a3aa..137e3f2f08b1f4fd5f36f13a801eda26cb229bf1 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BFGS_Minimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h
@@ -5,10 +5,11 @@
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/DerivMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/DerivMinimizer.h"
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm
by wrapping the IFuncMinimizer interface around the GSL implementation of
this algorithm.
@@ -52,6 +53,7 @@ protected:
static Kernel::Logger &g_log;
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DampingMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DampingMinimizer.h
similarity index 92%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DampingMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DampingMinimizer.h
index 4c8be89a8f28e194246585da2ad52351ad28abb4..a09325d17a0556d65ff8fe3c8f925ccfd394c18d 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DampingMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DampingMinimizer.h
@@ -10,8 +10,10 @@
namespace Mantid {
namespace CurveFitting {
-
+namespace CostFunctions {
class CostFuncLeastSquares;
+} // namespace CostFunctions
+namespace FuncMinimisers {
/**
Implements a least squares minimization algorithm with damping.
@@ -56,13 +58,13 @@ public:
private:
/// Pointer to the cost function. Must be the least squares.
- boost::shared_ptr<CostFuncLeastSquares> m_leastSquares;
+ boost::shared_ptr<CostFunctions::CostFuncLeastSquares> m_leastSquares;
/// Relative tolerance.
double m_relTol;
/// The damping mu parameter in the Levenberg-Marquardt method.
// double m_damping;
};
-
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DerivMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DerivMinimizer.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DerivMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DerivMinimizer.h
index f894626253e6974c47a3a924af6c6d0923f3c67a..2da8b40ba41cf1e55c5a3a9fe27ba0822cc7e428 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DerivMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/DerivMinimizer.h
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** A wrapper around the GSL functions implementing a minimizer using
derivatives.
Concrete classes must implement the getGSLMinimizerType() method.
@@ -94,6 +95,7 @@ private:
void initGSLMMin();
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/FABADAMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h
similarity index 93%
rename from Framework/CurveFitting/inc/MantidCurveFitting/FABADAMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h
index 751e195e233676fd8a9f8be9af86c8a123189af1..c2c5b5ebfb75a997919a933003aff9b3beee60ea 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/FABADAMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h
@@ -10,7 +10,16 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
+/// Forward Declaration
class CostFuncLeastSquares;
+}
+}
+}
+
+namespace Mantid {
+namespace CurveFitting {
+namespace FuncMinimisers {
/** FABADA : TODO: DESCRIPTION
@@ -56,7 +65,7 @@ private:
/// Pointer to the cost function. Must be the least squares.
/// Intentar encontrar una manera de sacar aqui el numero de parametros que
/// no sea necesaria la cost function
- boost::shared_ptr<CostFuncLeastSquares> m_leastSquares;
+ boost::shared_ptr<CostFunctions::CostFuncLeastSquares> m_leastSquares;
/// The number of iterations done.
size_t m_counter;
///
@@ -88,6 +97,8 @@ private:
/// Maximum number of iterations
size_t m_max_iter;
};
+
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/FRConjugateGradientMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/FRConjugateGradientMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h
index cbe9ac8d9d7f1af2789f5a2aa0a1377a517d15ed..683b3a8c3b0521ab38b2be2e29d0831b84f844a3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/FRConjugateGradientMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h
@@ -5,10 +5,11 @@
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/DerivMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/DerivMinimizer.h"
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing Fletcher-Reeves flavour of the conjugate gradient algorithm
by wrapping the IFuncMinimizer interface around the GSL implementation of
this algorithm.
@@ -51,6 +52,7 @@ protected:
virtual const gsl_multimin_fdfminimizer_type *getGSLMinimizerType();
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h
similarity index 93%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h
index 5d39606ed1f013a8041f9abb79ea943fe2c3f2c1..139b82aff0229675b5193519173860073e388008 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMDMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h
@@ -10,9 +10,11 @@
namespace Mantid {
namespace CurveFitting {
-
+namespace CostFunctions {
class CostFuncLeastSquares;
+} // namespace CostFunctions
+namespace FuncMinimisers {
/** Implementing Levenberg-Marquardt algorithm. Uses the normal system calculate
the corrections to the parameters. Expects a cost function that can evaluate
the value, the derivatives and the hessian matrix.
@@ -57,7 +59,7 @@ public:
private:
/// Pointer to the cost function. Must be the least squares.
- boost::shared_ptr<CostFuncLeastSquares> m_leastSquares;
+ boost::shared_ptr<CostFunctions::CostFuncLeastSquares> m_leastSquares;
/// The tau parameter in the Levenberg-Marquardt method.
double m_tau;
/// The damping mu parameter in the Levenberg-Marquardt method.
@@ -71,6 +73,7 @@ private:
std::vector<double> m_D;
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h
index a5af8ed98820db924555df0d58ef32974ad5c18c..e2c786adb32c18a7f1b32bb90f7d2813405df4c3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LevenbergMarquardtMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h
@@ -11,6 +11,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing Levenberg-Marquardt by wrapping the IFuncMinimizer interface
around the GSL implementation of this algorithm.
@@ -79,6 +80,7 @@ private:
double m_relError;
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PRConjugateGradientMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PRConjugateGradientMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h
index 80d5feaf207f6260087c35404fed96b97c6de952..99f37e47c2b7f46d35eb3fb2e36c7b0b9040e846 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PRConjugateGradientMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h
@@ -5,10 +5,11 @@
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/DerivMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/DerivMinimizer.h"
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing Polak-Ribiere flavour of the conjugate gradient algorithm
by wrapping the IFuncMinimizer interface around the GSL implementation of
this algorithm.
@@ -49,6 +50,7 @@ protected:
virtual const gsl_multimin_fdfminimizer_type *getGSLMinimizerType();
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SimplexMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SimplexMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h
index 5ca099ae2b281a22b1d70aecade9fea5fb4a732f..14e637fd956804ea8580a0ebd7a6cc656b9c1942 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SimplexMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing Simplex by wrapping the IFuncMinimizer interface
around the GSL implementation of this algorithm.
@@ -87,6 +88,7 @@ private:
gsl_multimin_function gslContainer;
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SteepestDescentMinimizer.h b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SteepestDescentMinimizer.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SteepestDescentMinimizer.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SteepestDescentMinimizer.h
index 7e319e65c8427794ee1d1ee9eefac848983f0e82..a251a9eae3b7ec077233b9ce66b96812aead1e81 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SteepestDescentMinimizer.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/FuncMinimizers/SteepestDescentMinimizer.h
@@ -5,10 +5,11 @@
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/DerivMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/DerivMinimizer.h"
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Implementing the steepest descent algorithm
by wrapping the IFuncMinimizer interface around the GSL implementation of
this algorithm.
@@ -51,6 +52,7 @@ protected:
static Kernel::Logger &g_log;
};
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Abragam.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Abragam.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Abragam.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Abragam.h
index 426c69d337e2ee0bc9964f7d04a401f4aca6fcaf..0bfcade021dcda28e4a3e875a4fcb048d8bc1c48 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Abragam.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Abragam.h
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Abragam fitting function for muon scientists
@@ -64,6 +65,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BSpline.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BSpline.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BSpline.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/BSpline.h
index a2a59dad6354494d31ddefa4cb73735db5244192..b45302749aaad9b49e7ca5082d9f4dbe64c7afc5 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BSpline.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BSpline.h
@@ -4,7 +4,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include <boost/shared_ptr.hpp>
#include <gsl/gsl_errno.h>
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
A wrapper around GSL functions implementing a B-spline.
@@ -75,6 +76,7 @@ private:
m_bsplineDerivWorkspace;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BackToBackExponential.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackToBackExponential.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BackToBackExponential.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackToBackExponential.h
index 103d8679b413e23627156e4151a577b52331b48b..83910c281dbe962f7dcfabaad1d381c90f90ffcf 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BackToBackExponential.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackToBackExponential.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide BackToBackExponential peak shape function interface to IPeakFunction.
That is the function:
@@ -87,6 +88,7 @@ protected:
typedef boost::shared_ptr<BackToBackExponential> BackToBackExponential_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BackgroundFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackgroundFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BackgroundFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackgroundFunction.h
index 46f9f2f25c32946dd9b517e80a2f24b58f67ecff..fc373fc1331bff0219d8f2d477db154ef6c9c97b 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BackgroundFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BackgroundFunction.h
@@ -13,6 +13,7 @@ class Parser;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
A background function. Functions that are intended to be used as backgrounds
should inherit from this class to enable certain features. E.g. querying
@@ -74,6 +75,7 @@ public:
typedef boost::shared_ptr<BackgroundFunction> BackgroundFunction_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/BivariateNormal.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BivariateNormal.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/BivariateNormal.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/BivariateNormal.h
index 5404e669d06fa3f1f9909bf8350dfd6d46f01481..59fd0db97239581ebaa53d4a3a430e70b2536390 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/BivariateNormal.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/BivariateNormal.h
@@ -4,15 +4,16 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/IFunctionMW.h"
#include "MantidAPI/IFunction1D.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidKernel/cow_ptr.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
* Provide peak shape function interface a Peak shape on one time slice of a
@@ -176,6 +177,7 @@ protected:
expCoeffxy; //<Other common values used in calculating values and
//<derivatives
};
+} // namespace Functions
}
}
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Bk2BkExpConvPV.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Bk2BkExpConvPV.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Bk2BkExpConvPV.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Bk2BkExpConvPV.h
index f7511c3810a8eda9e2cdd4fda957c04f9d581253..be7ed03f4ad95d00407a788af69241ca74bbe386 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Bk2BkExpConvPV.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Bk2BkExpConvPV.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** Bk2BkExpConvPV : Peak profile as tback-to-back exponential convoluted with
pseudo-Voigt.
@@ -92,6 +93,7 @@ private:
typedef boost::shared_ptr<Bk2BkExpConvPV> Bk2BkExpConvPV_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ChebfunBase.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ChebfunBase.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ChebfunBase.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ChebfunBase.h
index 37eafa709eb65aa33d783d805ca48f5ed320a53d..92dd84b3ddf1deda279dc2435e33092d12c71afa 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ChebfunBase.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ChebfunBase.h
@@ -1,8 +1,8 @@
#ifndef MANTID_CURVEFITTING_CHEBFUNBASE_H
#define MANTID_CURVEFITTING_CHEBFUNBASE_H
-#include "DllConfig.h"
-#include "GSLMatrix.h"
+#include "MantidCurveFitting/DllConfig.h"
+#include "MantidCurveFitting/GSLMatrix.h"
#include <boost/shared_ptr.hpp>
#include <vector>
@@ -15,6 +15,7 @@ class IFunction;
}
namespace CurveFitting {
+namespace Functions {
/// Type of the approximated function
typedef std::function<double(double)> ChebfunFunctionType;
@@ -213,6 +214,7 @@ boost::shared_ptr<ChebfunBase> ChebfunBase::bestFitAnyTolerance(
return ChebfunBase_sptr();
}
+} // namespace Functions
} // CurveFitting
} // Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Chebyshev.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Chebyshev.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Chebyshev.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Chebyshev.h
index 100a00197e1a218cf4d7016a7c45d16e38430f72..0b4209636d5883ea7112815e5e7d0e2369da0144 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Chebyshev.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Chebyshev.h
@@ -4,11 +4,12 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include <valarray>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Implements Chebyshev polynomial expansion.
@@ -72,6 +73,7 @@ private:
typedef boost::shared_ptr<Chebyshev> Chebyshev_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonPeakProfile.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonPeakProfile.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ComptonPeakProfile.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonPeakProfile.h
index 22d9514f8f6749ea7e5a5d9d6153613673be7005..a3a8d2dfb1853fa9ef4fa58a698c0702fc809f7d 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonPeakProfile.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonPeakProfile.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
This implements a resolution function for fitting a single mass in a compton
scattering spectrum. The
@@ -81,6 +82,7 @@ private:
double m_hwhmLorentz;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonProfile.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonProfile.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ComptonProfile.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonProfile.h
index c533219940a0172149577792504bae5ea9c88330..58f9e65ab1ff2aaad49b01da28636e012b8158dd 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonProfile.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonProfile.h
@@ -2,18 +2,21 @@
#define MANTID_CURVEFITTING_COMPTONPROFILE_H_
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/VesuvioResolution.h"
+#include "MantidCurveFitting/Functions/VesuvioResolution.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAPI/ParamFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
+}
+namespace Functions {
/**
This class serves as a base-class for ComptonProfile type functions. @see
GaussianComptonProfile, GramCharlierComptonProfile
@@ -59,13 +62,14 @@ public:
/// Pre-calculate the Y-space values with specified resolution parameters
void cacheYSpaceValues(const std::vector<double> &tseconds,
- const bool isHistogram, const DetectorParams &detpar,
+ const bool isHistogram,
+ const Algorithms::DetectorParams &detpar,
const ResolutionParams &respar);
/// Pre-calculate the Y-space values
virtual void cacheYSpaceValues(const std::vector<double> &tseconds,
const bool isHistogram,
- const DetectorParams &detpar);
+ const Algorithms::DetectorParams &detpar);
/// Turn off logger
void disableLogging() { m_log.setEnabled(false); }
///@}
@@ -133,6 +137,7 @@ protected:
///@}
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonScatteringCountRate.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonScatteringCountRate.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ComptonScatteringCountRate.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonScatteringCountRate.h
index 1b3c42cfd9cf84997e60c8a747676fe23bfe542f..a34ee169656166cbcd099378c4ca6a7214c248cc 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ComptonScatteringCountRate.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ComptonScatteringCountRate.h
@@ -2,12 +2,13 @@
#define MANTID_CURVEFITTING_COMPTONSCATTERINGCOUNTRATE_H_
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/ComptonProfile.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
#include "MantidKernel/ClassMacros.h"
#include "MantidKernel/Matrix.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Implements a specialized function that encapsulates the combination of
@@ -92,6 +93,7 @@ private:
std::vector<double> m_dataErrorRatio;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Convolution.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Convolution.h
similarity index 99%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Convolution.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Convolution.h
index 499d426d8bbcccc70ac5f21e8e8c68a572c651b9..b1e5791269a82fcdc5fbef17b757ab8b22b24a85 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Convolution.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Convolution.h
@@ -11,6 +11,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Performes convolution of two functions.
@@ -151,6 +152,7 @@ private:
mutable std::vector<double> m_resolution;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/CubicSpline.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/CubicSpline.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/CubicSpline.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/CubicSpline.h
index 0ad0f34ccc00de17b46e5f28653f5e07a34d4ccc..3dbaa2c4dc2cbae2236fac99393de0856a271c1d 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/CubicSpline.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/CubicSpline.h
@@ -4,7 +4,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include <boost/scoped_array.hpp>
#include <gsl/gsl_errno.h>
@@ -13,6 +13,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
A wrapper around GSL functions implementing cubic spline interpolation.
@@ -117,6 +118,7 @@ private:
typedef boost::shared_ptr<CubicSpline> CubicSpline_sptr;
typedef const boost::shared_ptr<CubicSpline> CubicSpline_const_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DeltaFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DeltaFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DeltaFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/DeltaFunction.h
index 1f0b682f088492ab13765438ac147bfd7f53aecb..9f98b9cafbcffd02ce3fa9281323ae05918054c5 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DeltaFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DeltaFunction.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Delta function. Makes sence in Convolution only.
@@ -78,6 +79,7 @@ protected:
}
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DiffRotDiscreteCircle.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffRotDiscreteCircle.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DiffRotDiscreteCircle.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffRotDiscreteCircle.h
index 8b1c38f194acfe816aa5e15788132eb720c86413..0157a963217c46f6cc209ebef4c09d2e9e195b5d 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DiffRotDiscreteCircle.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffRotDiscreteCircle.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
@author Jose Borreguero, NScD
@date December 02 2013
@@ -125,6 +126,7 @@ private:
boost::shared_ptr<InelasticDiffRotDiscreteCircle> m_inelastic;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DiffSphere.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffSphere.h
similarity index 99%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DiffSphere.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffSphere.h
index 7db3b4e805332c1280f709fc4f2da9b277e82a66..b7eeb4b57e017333dd7ac416b11752691c7693f2 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DiffSphere.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DiffSphere.h
@@ -14,6 +14,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
@author Jose Borreguero, NScD
@date 11/14/2011
@@ -172,6 +173,7 @@ private:
m_inelastic; // inelastic intensity of the DiffSphere structure factor
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/DynamicKuboToyabe.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DynamicKuboToyabe.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/DynamicKuboToyabe.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/DynamicKuboToyabe.h
index 7b24a53770f71e84d18c280f07f50843b2764987..9865dd6b967b0f8104c7d4c385ac8fe4a9265fb9 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/DynamicKuboToyabe.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/DynamicKuboToyabe.h
@@ -11,6 +11,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Dynamic Kubo Toyabe function interface to IFunction1D for muon
scientists.
@@ -87,6 +88,7 @@ private:
double m_minEps, m_maxEps;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/EndErfc.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/EndErfc.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/EndErfc.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/EndErfc.h
index 490ab7dba3c2a0c120b0f083e356e2437ebca4f7..1519739ca40c79dbaa5616264e928a7407fed088 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/EndErfc.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/EndErfc.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Errore function erfc()for calibrating the end of a tube.
@@ -57,6 +58,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecay.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecay.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ExpDecay.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecay.h
index 60ccb117530cc9b2da7b49617b9eb27e012aa7e6..45732a7d1124801438877998d3b7e6b93e8df03a 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecay.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecay.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide exponential decay function: h*exp(-(x-c)/t)
@@ -56,6 +57,7 @@ protected:
const size_t nData);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayMuon.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayMuon.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayMuon.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayMuon.h
index b12e4e30a1224464520fb86898ae1df7dda76562..7a42e6a9aaf3058eda3bf8a9ab9877feb10150c4 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayMuon.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayMuon.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide exponential decay function: h*exp(-lambda.x)
@@ -59,6 +60,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayOsc.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayOsc.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayOsc.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayOsc.h
index 9f896924044cb2578fda36b0e6a93e150e60d760..07d3ad4d03a47a66ed337c142a60e9cf21012683 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ExpDecayOsc.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ExpDecayOsc.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide oscillating exponential decay function:
h*exp(-lambda.x)*(cos(2pi*f*x+phi))
@@ -61,6 +62,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/FlatBackground.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/FlatBackground.h
similarity index 93%
rename from Framework/CurveFitting/inc/MantidCurveFitting/FlatBackground.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/FlatBackground.h
index 1de1aba3bd9ee7a9c61ee04dd1151e4e9381fa3b..cb1add3374562c945fe024946ec3079fdb382742 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/FlatBackground.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/FlatBackground.h
@@ -1,11 +1,12 @@
#ifndef MANTID_CURVEFITTING_FLATBACKGROUND_H_
#define MANTID_CURVEFITTING_FLATBACKGROUND_H_
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include "MantidKernel/System.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** FlatBackground : TODO: DESCRIPTION
@@ -47,6 +48,7 @@ private:
void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/FullprofPolynomial.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/FullprofPolynomial.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/FullprofPolynomial.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/FullprofPolynomial.h
index 114437e08a4a6e6aee0465c1d92866fd9822b91e..8a5f52c3953d950f5b62cf7a0b981b4f84c2e7ad 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/FullprofPolynomial.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/FullprofPolynomial.h
@@ -2,10 +2,11 @@
#define MANTID_CURVEFITTING_FULLPROFPOLYNOMIAL_H_
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** FullprofPolynomial : Polynomial background defined in Fullprof
@@ -75,6 +76,7 @@ private:
typedef boost::shared_ptr<FullprofPolynomial> FullprofPolynomial_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GausDecay.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausDecay.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/GausDecay.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausDecay.h
index ac17d7122184a9f52292a9c78d746ff4437fde4f..053d65163a9f60a0e561be628579b227d1035913 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GausDecay.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausDecay.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide gaussian decay function: A*exp(-(sigma.x)^2))
@@ -59,6 +60,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GausOsc.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausOsc.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/GausOsc.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausOsc.h
index a80e5df087e7bc3e06fb5704268eab30bfc6731d..b54279a77ada4db8cfb55bbf53a1d1fe9b482049 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GausOsc.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GausOsc.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide gaussian decay function: A*exp(-(sigma.x)^2))
@@ -59,6 +60,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Gaussian.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Gaussian.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Gaussian.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Gaussian.h
index da8d2b4914c7e01e33c5ef83cd1e7e2944a40f29..c56f8618d54c3feca5e7bbc3937ae6456b771c58 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Gaussian.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Gaussian.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide gaussian peak shape function interface to IPeakFunction.
I.e. the function: Height*exp(-0.5*((x-PeakCentre)/Sigma)^2).
@@ -79,6 +80,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GaussianComptonProfile.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GaussianComptonProfile.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/GaussianComptonProfile.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/GaussianComptonProfile.h
index 4030a64cac4039f4307b3b07fd9ed045985d06dc..60c6ffe5f6266ade00fef84d9785ab66e12588ea 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GaussianComptonProfile.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GaussianComptonProfile.h
@@ -2,10 +2,11 @@
#define MANTID_CURVEFITTING_GAUSSIANCOMPTONPROFILE_H_
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/ComptonProfile.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Implements a function to calculate the Compton profile of a nucleus using a
@@ -64,6 +65,7 @@ private:
const double amplitude) const;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GramCharlierComptonProfile.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GramCharlierComptonProfile.h
similarity index 94%
rename from Framework/CurveFitting/inc/MantidCurveFitting/GramCharlierComptonProfile.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/GramCharlierComptonProfile.h
index bc8e1b4fd01d4ac647b5c2afd8812084adbd850b..14cbb33b841dfca79fb96e8da8705c1d25da2012 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GramCharlierComptonProfile.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/GramCharlierComptonProfile.h
@@ -2,10 +2,11 @@
#define MANTID_CURVEFITTING_GRAMCHARLIERCOMPTONPROFILE_H_
#include "MantidCurveFitting/DllConfig.h"
-#include "MantidCurveFitting/ComptonProfile.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Implements a function to calculate the Compton profile of a nucleus using a
@@ -75,7 +76,8 @@ private:
size_t wi, double startX, double endX);
/// Pre-calculate the Y-space values
void cacheYSpaceValues(const std::vector<double> &tseconds,
- const bool isHistogram, const DetectorParams &detpar);
+ const bool isHistogram,
+ const Algorithms::DetectorParams &detpar);
/// The active hermite coefficents
std::vector<short> m_hermite;
@@ -95,6 +97,7 @@ private:
bool m_userFixedFSE;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/IkedaCarpenterPV.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/IkedaCarpenterPV.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
index ecb2f57bc9166e4d8232bfdd9bc90ef2208496eb..bc8cc43f3e66a697a9e61977a4b8c037736306bb 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/IkedaCarpenterPV.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Ikeda-Carpenter-pseudo-Voigt peak shape function interface to
IPeakFunction. See wiki
@@ -96,6 +97,7 @@ private:
double &eta) const;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LinearBackground.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/LinearBackground.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LinearBackground.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/LinearBackground.h
index 3919c08b16233c0625e92ec5e7496e8280a9ce86..e8ba0edd4443cd9bf9277159cf528a001dd62fb9 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LinearBackground.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/LinearBackground.h
@@ -4,10 +4,11 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide linear function interface to IFunction.
I.e. the function: A0+A1*x.
@@ -61,6 +62,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LogNormal.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/LogNormal.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/LogNormal.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/LogNormal.h
index 6816b53db955c049ce4ae2e8d83230f99e43eb47..90273384e73961fbff8ab34e0fea5f01e0bb5adf 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LogNormal.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/LogNormal.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Log Normal function: h*exp(-(log(x)-t)^2 / (2*b^2) )/x
@@ -54,6 +55,7 @@ protected:
const size_t nData);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian.h
index b6b816d9d1fbd762e8d01d271bfa37ed305b06e3..132408dee74bf59f15c532d86ac917d00b2d32da 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide lorentzian peak shape function interface to IPeakFunction.
I.e. the function: \f$ \frac{A}{\pi}( \Gamma/2((x-PeakCentre)^2+(\Gamma/2)^2)
@@ -69,6 +70,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian1D.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian1D.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian1D.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian1D.h
index 66fb65e18476ca6e7ad6bb53eb9cd19e8b8b7bc0..6211f2d053b617abcf03f5084cc31ee7966ec979 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Lorentzian1D.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Lorentzian1D.h
@@ -4,10 +4,11 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Fit1D.h"
+#include "MantidCurveFitting/Algorithms/Fit1D.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Deprecation notice: instead of using this algorithm please use the Fit algorithm
where the Function parameter of this algorithm is used
@@ -50,7 +51,7 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DLLExport Lorentzian1D : public Fit1D {
+class DLLExport Lorentzian1D : public Algorithms::Fit1D {
public:
/// Destructor
virtual ~Lorentzian1D(){};
@@ -80,6 +81,7 @@ private:
const double *xValues, const size_t nData);
};
+} // namespace Functions
} // namespace Algorithm
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/MuonFInteraction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/MuonFInteraction.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/MuonFInteraction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/MuonFInteraction.h
index 508ea9d2279cf4635302d25f6a90425c4bb7a156..f474266b5605ce12a87c96a79e392d5410ac75dc 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/MuonFInteraction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/MuonFInteraction.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Muon F Interaction fitting function
@@ -57,6 +58,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h
index 93933ea8871a7327b1b0ceee740fc07591c25cc5..7ddc907fdabb05231397f386d2bff50dab3e7d54 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** NeutronBk2BkExpConvPVoigt : Back-to-back exponential function convoluted
with pseudo-voigt
@@ -128,6 +129,7 @@ private:
mutable double m_N;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PawleyFunction.h
similarity index 99%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PawleyFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/PawleyFunction.h
index a9e3214fd494c581db6725e82b1b4c62cd5ca66d..a56373b31075af5abccf29966b2c68b123f557a1 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PawleyFunction.h
@@ -13,6 +13,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** @class PawleyParameterFunction
@@ -173,6 +174,7 @@ protected:
typedef boost::shared_ptr<PawleyFunction> PawleyFunction_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PeakParameterFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PeakParameterFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PeakParameterFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/PeakParameterFunction.h
index 22621031ef1242d457f5d30003eb08aeec097836..e0d34610fbf5f7bd3b948b584c0691614dc68058 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PeakParameterFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PeakParameterFunction.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** PeakParameterFunction :
@@ -62,6 +63,7 @@ protected:
API::IPeakFunction_sptr m_peakFunction;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Polynomial.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Polynomial.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Polynomial.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Polynomial.h
index 94cfa29b53e326a109883a9d444bfd66183698fc..fcb944652788d7d91509eb50452853cf582f13ea 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Polynomial.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Polynomial.h
@@ -2,11 +2,12 @@
#define MANTID_CURVEFITTING_POLYNOMIAL_H_
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** Polynomial : N-th polynomial background function.
@@ -73,6 +74,7 @@ private:
typedef boost::shared_ptr<Polynomial> Polynomial_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ProcessBackground.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProcessBackground.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ProcessBackground.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProcessBackground.h
index 3b9c09886fefe4018ceac089427213d4f95f24a2..e5b8e1dd27201ed2404d63fb88e4992e592dcea6 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ProcessBackground.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProcessBackground.h
@@ -3,7 +3,7 @@
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidKernel/ArrayProperty.h"
@@ -13,6 +13,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
class RemovePeaks {
public:
@@ -141,6 +142,7 @@ private:
void fitBackgroundFunction(std::string bkgdfunctiontype);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ProductFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ProductFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductFunction.h
index 83ca1c3239d57117d8822d75ee2ed884e5f1adc7..cef21a282322ecfe74c8250d2db5ac344b69a72f 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ProductFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductFunction.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Allow user to create a fit function which is the product of two or
more other fit functions.
@@ -62,6 +63,7 @@ protected:
virtual void init(){};
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ProductLinearExp.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductLinearExp.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ProductLinearExp.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductLinearExp.h
index b49be7f9b1dfbc992b354277ca51ef82959c2d33..2e54ad0d69c2253c092fe8008ab60508fb24dd51 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ProductLinearExp.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductLinearExp.h
@@ -7,6 +7,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ProductLinearExp : Function that evauates the product of an exponential and
linear function.
@@ -49,6 +50,7 @@ protected:
const size_t nData) const;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ProductQuadraticExp.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductQuadraticExp.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ProductQuadraticExp.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductQuadraticExp.h
index 257482ed18ecc744075382591895133bad6913d8..ac047a16d192d738949c4ad1af2bc1485e970f4f 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ProductQuadraticExp.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ProductQuadraticExp.h
@@ -7,6 +7,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ProductQuadraticExp : Function that evauates the product of an exponential
and quadratic function.
@@ -49,6 +50,7 @@ protected:
const size_t nData) const;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/PseudoVoigt.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PseudoVoigt.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/PseudoVoigt.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/PseudoVoigt.h
index 6c970c4b17c2b18b4f6ae5c6e8780428e36b3164..53a3f331d2bd26ced8e7eca0260cb55ed230009f 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/PseudoVoigt.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/PseudoVoigt.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** PseudoVoigt
@@ -71,6 +72,7 @@ protected:
void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Quadratic.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Quadratic.h
similarity index 95%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Quadratic.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Quadratic.h
index 0e1e6f08553667bcb36cc7f9f922da615d2d5cbd..41eb1812f44767733cd18005bc0c6b2a9147a8c1 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Quadratic.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Quadratic.h
@@ -4,10 +4,11 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide quadratic function interface to IFunction.
I.e. the function: A0+A1*x+A2*x^2
@@ -60,6 +61,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ReflectivityMulf.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ReflectivityMulf.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ReflectivityMulf.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ReflectivityMulf.h
index 0ccf77e23f6d2639013ba29334afbcaa7794d71c..b1c6fb99b986b55055e602d648be001b8ab03b76 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ReflectivityMulf.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ReflectivityMulf.h
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ReflectivityMulf : Calculate the ReflectivityMulf from a simple layer model.
@@ -59,6 +60,7 @@ private:
typedef boost::shared_ptr<ReflectivityMulf> ReflectivityMulf_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Resolution.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Resolution.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Resolution.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Resolution.h
index fd7237629dd03edb73858578fc5fa931afc2ab55..bfb2f49bc06f0f68c352223eca731199f136b809 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Resolution.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Resolution.h
@@ -4,10 +4,11 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/TabulatedFunction.h"
+#include "MantidCurveFitting/Functions/TabulatedFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Resolution function. It is implemented in terms of TabulatedFunction but doesn't
inherit form it.
@@ -67,6 +68,7 @@ private:
TabulatedFunction m_fun;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SimpleChebfun.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/SimpleChebfun.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/SimpleChebfun.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/SimpleChebfun.h
index 5da29131ea0bbc5f41d67d8e7ef924dde747f6a2..e05bfbcd112c0541933de0e440b03217a2e6d67c 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SimpleChebfun.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/SimpleChebfun.h
@@ -2,10 +2,11 @@
#define MANTID_CURVEFITTING_SIMPLECHEBFUN_H_
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/ChebfunBase.h"
+#include "MantidCurveFitting/Functions/ChebfunBase.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** SimpleChebfun : approximates smooth 1d functions and
provides methods to manipulate them.
@@ -94,6 +95,7 @@ private:
bool m_badFit;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabe.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabe.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabe.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabe.h
index b959aa5ecf47e81356d1188da75598381b6fe764..b6beff8a18a795ef96eb64ab6cc427a7f5336910 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabe.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabe.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide static Kubo Toyabe fitting function
@@ -57,6 +58,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h
index 143973e3c742846f82b86e3963db8aa2314f8173..0ceebf0aa2ecec4259996780b29d09d45a8dc251 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
StaticKuboToyabeTimesExpDecay fitting function
@@ -51,6 +52,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h
index 0b4d63300dcb6c717fbc06db0986a5ace4c70838..6f9370af94cadbeff4d3fa1b48fd050e2d6901d3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
StaticKuboToyabeTimesGausDecay fitting function.
@@ -51,6 +52,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/StretchExp.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExp.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/StretchExp.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExp.h
index 7f61f545b008744c2e7a173de94ea3ad86e473cc..43677513e130aeb2df4d37dcc7753d5f06b417f3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/StretchExp.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExp.h
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide Streteched Exponential fitting function: h*exp(-(x/t)^b )
@@ -55,6 +56,7 @@ protected:
const size_t nData);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/StretchExpMuon.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExpMuon.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/StretchExpMuon.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExpMuon.h
index 433965a34874a6ce489df33ee7a2d1317bd2711b..4816212d1a4a8840e2538c9e249c829f96f39e43 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/StretchExpMuon.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/StretchExpMuon.h
@@ -8,6 +8,7 @@
#include "MantidAPI/IFunction1D.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Provide stetch exponential function for Muon scientists
@@ -52,6 +53,7 @@ protected:
virtual void init();
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/TabulatedFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/TabulatedFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/TabulatedFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/TabulatedFunction.h
index 2fe8d9ae5d15127e1e7f3e2687d4dfe2a3b0fcc9..a4e4812efbeb5b7ca51bc888c8f604f1af4503da 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/TabulatedFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/TabulatedFunction.h
@@ -19,6 +19,7 @@ class MatrixWorkspace;
}
namespace CurveFitting {
+namespace Functions {
/**
A function which takes its values from a file or a workspace. The values atr
@@ -124,6 +125,7 @@ private:
mutable bool m_setupFinished;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h
index a8b2aee386cb1ee75b40be77b19b5085fd089919..5ee5b6e50b500c5dfa5e7a0c9b76294195214587 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h
@@ -7,6 +7,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ThermalNeutronBk2BkExpAlpha : Function to calculate Alpha of Bk2Bk
Exponential function from
@@ -71,6 +72,7 @@ private:
typedef boost::shared_ptr<ThermalNeutronBk2BkExpAlpha>
ThermalNeutronBk2BkExpAlpha_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h
index f88f29f5001131df88a7b0030389647467642562..31e1d7efd7975e0257a0fab7d6865f37a9225fa5 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h
@@ -7,6 +7,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ThermalNeutronBk2BkExpBETA : Function to calculate Beta of Bk2Bk Exponential
function from
@@ -71,6 +72,7 @@ private:
typedef boost::shared_ptr<ThermalNeutronBk2BkExpBeta>
ThermalNeutronBk2BkExpBeta_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h
similarity index 99%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h
index e36a938cb9b8f0b12cad3306ff2d0a6112d73ba2..267f3ab7819f647cbdf717fe422fcc9a1315e0a1 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ThermalNeutronBk2BkExpConvPVoigt :
Back-to-back exponential convoluted with pseudo Voigt for thermal neutron
@@ -196,6 +197,7 @@ inline double calCubicDSpace(double a, int h, int k, int l)
/// Integral for Gamma
// std::complex<double> E1X(std::complex<double> z);
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h
index c4534681d1b727069a4d88299628dae824655d1e..412ea0d44021b1cacac2edfdc884cf7a9b61e604 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h
@@ -7,6 +7,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ThermalNeutronBk2BkExpSIGMA : Function to calculate Sigma of Bk2Bk
Exponential function from
@@ -70,6 +71,7 @@ private:
typedef boost::shared_ptr<ThermalNeutronBk2BkExpSigma>
ThermalNeutronBk2BkExpSigma_sptr;
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronDtoTOFFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronDtoTOFFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h
index 0fef3abbf8c1175838de6a4166e51d3bc25ea1f2..8d0c4a2ed846b5bcd0b3636a287ceb33606ef2a5 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronDtoTOFFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h
@@ -14,6 +14,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/** ThermalNeutronDtoTOFFunction : TODO: DESCRIPTION
@@ -98,6 +99,7 @@ inline double calThermalNeutronTOF(double dh, double dtt1, double dtt1t,
return tof_h;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/UserFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/UserFunction.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction.h
index ca9c41550d92e490dab933ad1a5f55767af82f58..cd6e468fee151c7a2463f3e30729b01f0a54bcb3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/UserFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction.h
@@ -14,6 +14,7 @@ class Parser;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
A user defined function.
@@ -95,6 +96,7 @@ private:
static double *AddVariable(const char *varName, void *pufun);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/UserFunction1D.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction1D.h
similarity index 97%
rename from Framework/CurveFitting/inc/MantidCurveFitting/UserFunction1D.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction1D.h
index 1c27d36a0a15df1a6b5f40eae0db12c9faefbef0..fefde7f6549aa277abcce768ea6d1d2a5f6d7a43 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/UserFunction1D.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction1D.h
@@ -4,12 +4,13 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Fit1D.h"
+#include "MantidCurveFitting/Algorithms/Fit1D.h"
#include "MantidGeometry/muParser_Silent.h"
#include <boost/shared_array.hpp>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Deprecation notice: instead of using this algorithm please use the Fit algorithm
where the Function parameter of this algorithm is used
@@ -70,7 +71,7 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class UserFunction1D : public Fit1D {
+class UserFunction1D : public Algorithms::Fit1D {
public:
/// Constructor
UserFunction1D()
@@ -121,6 +122,7 @@ private:
boost::shared_array<double> m_tmp1;
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/VesuvioResolution.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/VesuvioResolution.h
similarity index 96%
rename from Framework/CurveFitting/inc/MantidCurveFitting/VesuvioResolution.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/VesuvioResolution.h
index 02f62fb838f4303c62d893c1d86b769f6dedb560..18576a11ca4f5a8cbb79c07d2bd034470e901cd3 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/VesuvioResolution.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/VesuvioResolution.h
@@ -8,10 +8,13 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
+}
+namespace Functions {
//---------------------------------------------------------------------------
/// Simple data structure to store resolution parameter values
@@ -81,7 +84,7 @@ public:
setMatrixWorkspace(boost::shared_ptr<const API::MatrixWorkspace> workspace,
size_t wi, double startX, double endX);
/// Pre-calculate the resolution components values
- void cacheResolutionComponents(const DetectorParams &detpar,
+ void cacheResolutionComponents(const Algorithms::DetectorParams &detpar,
const ResolutionParams &respar);
/// Turn off logger
void disableLogging() { m_log.setEnabled(false); }
@@ -118,6 +121,7 @@ private:
///@}
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Voigt.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Voigt.h
similarity index 98%
rename from Framework/CurveFitting/inc/MantidCurveFitting/Voigt.h
rename to Framework/CurveFitting/inc/MantidCurveFitting/Functions/Voigt.h
index 192bcb12d02833b47a6b2e1defb1d34e1f80c41f..780771239cdf771d7854ff0918fab2af18cf2ab4 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Voigt.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/Voigt.h
@@ -6,6 +6,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
/**
Implements an analytical approximation to the Voigt function.
@@ -66,6 +67,7 @@ private:
void setFwhm(const double value);
};
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GSLFunctions.h b/Framework/CurveFitting/inc/MantidCurveFitting/GSLFunctions.h
index 259599a19010f6dc76c6e803aef871e5763c01d4..bde389d04c861786ba31393bf215c6d456523b21 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GSLFunctions.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/GSLFunctions.h
@@ -7,7 +7,7 @@
#include <gsl/gsl_blas.h>
#include "MantidAPI/IFunction.h"
#include "MantidAPI/ICostFunction.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
namespace Mantid {
namespace CurveFitting {
@@ -85,7 +85,7 @@ public:
/// Structure to contain least squares data and used by GSL
struct GSL_FitData {
/// Constructor
- GSL_FitData(boost::shared_ptr<CostFuncLeastSquares> cf);
+ GSL_FitData(boost::shared_ptr<CostFunctions::CostFuncLeastSquares> cf);
/// Destructor
~GSL_FitData();
/// number of points to be fitted (size of X, Y and sqrtWeightData arrays)
@@ -94,14 +94,14 @@ struct GSL_FitData {
size_t p;
/// Pointer to the function
API::IFunction_sptr function;
- boost::shared_ptr<CostFuncLeastSquares> costFunction;
+ boost::shared_ptr<CostFunctions::CostFuncLeastSquares> costFunction;
/// Initial function parameters
gsl_vector *initFuncParams;
/// Jacobi matrix interface
JacobianImpl1 J;
// this is presently commented out in the implementation
- // gsl_matrix *holdCalculatedJacobian; ///< cache of the claculated jacobian
+ // gsl_matrix *holdCalculatedJacobian; ///< cache of the calculated jacobian
};
int gsl_f(const gsl_vector *x, void *params, gsl_vector *f);
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/GSLMatrix.h b/Framework/CurveFitting/inc/MantidCurveFitting/GSLMatrix.h
index e9e35f7ac6e9d915984bba1aa8a17d91f7c10955..9add0ff7f666e5946222020673c31a24eb6c58d6 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/GSLMatrix.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/GSLMatrix.h
@@ -241,6 +241,7 @@ inline GSLMatrixMult3 operator*(const GSLMatrixMult2 &mm, const Tr &m) {
/// The << operator. Prints a matrix in rows.
inline std::ostream &operator<<(std::ostream &ostr, const GSLMatrix &m) {
+ std::ios::fmtflags fflags(ostr.flags());
ostr << std::scientific << std::setprecision(6);
for (size_t i = 0; i < m.size1(); ++i) {
for (size_t j = 0; j < m.size2(); ++j) {
@@ -248,6 +249,7 @@ inline std::ostream &operator<<(std::ostream &ostr, const GSLMatrix &m) {
}
ostr << std::endl;
}
+ ostr.flags(fflags);
return ostr;
}
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/LatticeFunction.h b/Framework/CurveFitting/inc/MantidCurveFitting/LatticeFunction.h
index dda2fcf1d8358f0e60023c855a4eb5080a758447..3c8886b0b648fe6475b0312904f2987fe694581e 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/LatticeFunction.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/LatticeFunction.h
@@ -4,7 +4,7 @@
#include "MantidKernel/System.h"
#include "MantidAPI/ILatticeFunction.h"
-#include "MantidCurveFitting/PawleyFunction.h"
+#include "MantidCurveFitting/Functions/PawleyFunction.h"
namespace Mantid {
namespace CurveFitting {
@@ -61,7 +61,7 @@ protected:
void beforeDecoratedFunctionSet(const API::IFunction_sptr &fn);
private:
- PawleyParameterFunction_sptr m_cellParameters;
+ Functions::PawleyParameterFunction_sptr m_cellParameters;
};
typedef boost::shared_ptr<LatticeFunction> LatticeFunction_sptr;
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/MultiBG.h b/Framework/CurveFitting/inc/MantidCurveFitting/MultiBG.h
deleted file mode 100644
index 506d7e7f047a3cc6dccba054d32ed6ec93e21e94..0000000000000000000000000000000000000000
--- a/Framework/CurveFitting/inc/MantidCurveFitting/MultiBG.h
+++ /dev/null
@@ -1,110 +0,0 @@
-#ifndef MANTID_CURVEFITTING_MULTIBG_H_
-#define MANTID_CURVEFITTING_MULTIBG_H_
-
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
-#include "MantidAPI/CompositeFunction.h"
-#include "MantidAPI/IFunctionMW.h"
-#include "MantidAPI/MatrixWorkspace_fwd.h"
-
-#ifdef _WIN32
-#pragma warning(disable : 4250)
-#endif
-
-namespace Mantid {
-
-namespace API {
-class WorkspaceGroup;
-}
-
-namespace CurveFitting {
-/** A composite function.
-
- @author Roman Tolchenov, Tessella Support Services plc
- @date 19/08/2011
-
- Copyright © 2009 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
- National Laboratory & European Spallation Source
-
- This file is part of Mantid.
-
- Mantid is free software; you can redistribute it and/or modify
- it under the terms of the GNU General Public License as published by
- the Free Software Foundation; either version 3 of the License, or
- (at your option) any later version.
-
- Mantid is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
-
- You should have received a copy of the GNU General Public License
- along with this program. If not, see <http://www.gnu.org/licenses/>.
-
- File change history is stored at: <https://github.com/mantidproject/mantid>.
- Code Documentation is available at: <http://doxygen.mantidproject.org>
-*/
-class DLLExport MultiBG : public API::CompositeFunction {
-public:
- /// Default constructor
- MultiBG() : API::CompositeFunction() {}
- /// Destructor
- virtual ~MultiBG();
-
- /* Overriden methods */
-
- using CompositeFunction::setWorkspace;
- virtual void setWorkspace(boost::shared_ptr<const API::Workspace>) {}
- /// Set the workspace
- void setWorkspace(boost::shared_ptr<const API::Workspace> ws, bool copyData);
- void setSlicing(const std::string &slicing);
- virtual boost::shared_ptr<const API::Workspace> getWorkspace() const {
- return m_spectra[0].first;
- }
- /// Returns the function's name
- std::string name() const { return "MultiBG"; }
- /// Returns the function's category
- virtual const std::string category() const { return "Background"; }
-
- virtual void function(API::FunctionDomain &) const {}
-
- /// Returns the size of the fitted data (number of double values returned by
- /// the function)
- virtual size_t dataSize() const { return m_data.size(); }
- /// Returns a reference to the fitted data. These data are taken from the
- /// workspace set by setWorkspace() method.
- virtual const double *getData() const { return &m_data[0]; }
- virtual const double *getWeights() const { return &m_weights[0]; }
- /// Function you want to fit to.
- void function(double *out) const;
- /// Derivatives of function with respect to active parameters
- void functionDeriv(API::Jacobian *out);
- void functionDeriv(API::FunctionDomain &domain, API::Jacobian &jacobian) {
- API::IFunction::functionDeriv(domain, jacobian);
- }
-
-protected:
- boost::shared_ptr<API::WorkspaceGroup> createCalculatedWorkspaceGroup(
- const std::vector<double> &sd = std::vector<double>());
-
- boost::shared_ptr<const API::MatrixWorkspace> m_workspace;
-
- /// to collect different workspaces found in child functions
- std::vector<std::pair<boost::shared_ptr<const API::MatrixWorkspace>, size_t>>
- m_spectra;
- /// to store function indices to workspaces: m_funIndex[i] gives vector of
- /// indexes of m_spectra for function i
- std::vector<std::vector<size_t>> m_funIndex;
- /// the data vector which is a composition of all fitted spectra
- std::vector<double> m_data;
- /// the vector of fitting weights, one for each value in m_data
- std::vector<double> m_weights;
- /// offsets of particular workspaces in the m_data and m_weights arrays
- std::vector<size_t> m_offset;
-};
-
-} // namespace CurveFitting
-} // namespace Mantid
-
-#endif /*MANTID_CURVEFITTING_MULTIBG_H_*/
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/ParDomain.h b/Framework/CurveFitting/inc/MantidCurveFitting/ParDomain.h
index bda5ec1da7cc7a89ee1a20eeb634b7eca1a483a7..c695e7c06bdb07dae06f7888c0898215e8318819 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/ParDomain.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/ParDomain.h
@@ -43,12 +43,13 @@ public:
virtual void getDomainAndValues(size_t i, API::FunctionDomain_sptr &domain,
API::FunctionValues_sptr &values) const;
/// Calculate the value of a least squares cost function
- virtual void leastSquaresVal(const CostFuncLeastSquares &leastSquares);
+ virtual void
+ leastSquaresVal(const CostFunctions::CostFuncLeastSquares &leastSquares);
/// Calculate the value, first and second derivatives of a least squares cost
/// function
- virtual void
- leastSquaresValDerivHessian(const CostFuncLeastSquares &leastSquares,
- bool evalDeriv, bool evalHessian);
+ virtual void leastSquaresValDerivHessian(
+ const CostFunctions::CostFuncLeastSquares &leastSquares, bool evalDeriv,
+ bool evalHessian);
};
} // namespace CurveFitting
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h b/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
index 5e451efdf3324c3b6d47fd4e9a35f32f9550336f..7066b276f113f0883a8e7dc08376f473dfead9ec 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/SeqDomain.h
@@ -8,8 +8,8 @@
#include "MantidAPI/FunctionDomain.h"
#include "MantidAPI/FunctionValues.h"
#include "MantidAPI/IDomainCreator.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/CostFuncRwp.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncRwp.h"
#include <stdexcept>
#include <vector>
@@ -57,16 +57,17 @@ public:
/// Add new domain creator
void addCreator(API::IDomainCreator_sptr creator);
/// Calculate the value of a least squares cost function
- virtual void leastSquaresVal(const CostFuncLeastSquares &leastSquares);
+ virtual void
+ leastSquaresVal(const CostFunctions::CostFuncLeastSquares &leastSquares);
/// Calculate the value, first and second derivatives of a least squares cost
/// function
- virtual void
- leastSquaresValDerivHessian(const CostFuncLeastSquares &leastSquares,
- bool evalDeriv, bool evalHessian);
+ virtual void leastSquaresValDerivHessian(
+ const CostFunctions::CostFuncLeastSquares &leastSquares, bool evalDeriv,
+ bool evalHessian);
/// Calculate the value of a Rwp cost function
- void rwpVal(const CostFuncRwp &rwp);
+ void rwpVal(const CostFunctions::CostFuncRwp &rwp);
/// Calculate the value, first and second derivatives of a RWP cost function
- void rwpValDerivHessian(const CostFuncRwp &rwp, bool evalDeriv,
+ void rwpValDerivHessian(const CostFunctions::CostFuncRwp &rwp, bool evalDeriv,
bool evalHessian);
/// Create an instance of SeqDomain in one of two forms: either SeqDomain for
diff --git a/Framework/CurveFitting/src/CalculateChiSquared.cpp b/Framework/CurveFitting/src/Algorithms/CalculateChiSquared.cpp
similarity index 98%
rename from Framework/CurveFitting/src/CalculateChiSquared.cpp
rename to Framework/CurveFitting/src/Algorithms/CalculateChiSquared.cpp
index 0f65e00127775c1c352363f77ef26f0476887d81..17104a9e4b23dd8223a42f8cc5647bc397ee9d10 100644
--- a/Framework/CurveFitting/src/CalculateChiSquared.cpp
+++ b/Framework/CurveFitting/src/Algorithms/CalculateChiSquared.cpp
@@ -1,16 +1,18 @@
-#include "MantidCurveFitting/CalculateChiSquared.h"
+#include "MantidCurveFitting/Algorithms/CalculateChiSquared.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidAPI/Column.h"
#include "MantidAPI/TableRow.h"
-#include "MantidCurveFitting/ChebfunBase.h"
+#include "MantidCurveFitting/Functions/ChebfunBase.h"
#include "MantidCurveFitting/GSLJacobian.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
-using namespace Mantid::Kernel;
-using namespace Mantid::API;
+using namespace Kernel;
+using namespace API;
+using namespace Functions;
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(CalculateChiSquared)
@@ -651,5 +653,6 @@ void CalculateChiSquared::refixParameters() {
}
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CalculateGammaBackground.cpp b/Framework/CurveFitting/src/Algorithms/CalculateGammaBackground.cpp
similarity index 95%
rename from Framework/CurveFitting/src/CalculateGammaBackground.cpp
rename to Framework/CurveFitting/src/Algorithms/CalculateGammaBackground.cpp
index d4dfeb2503d74d64dcf47b5655128fc95fc281c3..a6281e12576ea6a561de2189adf28c38e98ac59f 100644
--- a/Framework/CurveFitting/src/CalculateGammaBackground.cpp
+++ b/Framework/CurveFitting/src/Algorithms/CalculateGammaBackground.cpp
@@ -1,7 +1,7 @@
-#include "MantidCurveFitting/CalculateGammaBackground.h"
-#include "MantidCurveFitting/ComptonProfile.h"
-#include "MantidCurveFitting/ConvertToYSpace.h"
-#include "MantidCurveFitting/VesuvioResolution.h"
+#include "MantidCurveFitting/Algorithms/CalculateGammaBackground.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
+#include "MantidCurveFitting/Functions/VesuvioResolution.h"
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/FunctionProperty.h"
@@ -16,8 +16,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace API;
using namespace Kernel;
+using namespace CurveFitting;
+using namespace CurveFitting::Functions;
+using namespace BOOST_FUNCTION_STD_NS;
using namespace std;
// Subscription
@@ -227,8 +231,9 @@ void CalculateGammaBackground::calculateSpectrumFromDetector(
// -- Setup detector & resolution parameters --
DetectorParams detPar =
ConvertToYSpace::getDetectorParameters(m_inputWS, inputIndex);
- ResolutionParams detRes =
- VesuvioResolution::getResolutionParameters(m_inputWS, inputIndex);
+ CurveFitting::Functions::ResolutionParams detRes =
+ CurveFitting::Functions::VesuvioResolution::getResolutionParameters(
+ m_inputWS, inputIndex);
// Compute a time of flight spectrum convolved with a Voigt resolution
// function for each mass
@@ -254,8 +259,9 @@ void CalculateGammaBackground::calculateBackgroundFromFoils(
// -- Setup detector & resolution parameters --
DetectorParams detPar =
ConvertToYSpace::getDetectorParameters(m_inputWS, inputIndex);
- ResolutionParams detRes =
- VesuvioResolution::getResolutionParameters(m_inputWS, inputIndex);
+ CurveFitting::Functions::ResolutionParams detRes =
+ CurveFitting::Functions::VesuvioResolution::getResolutionParameters(
+ m_inputWS, inputIndex);
const size_t nxvalues = m_backgroundWS->blocksize();
std::vector<double> foilSpectrum(nxvalues);
@@ -320,7 +326,7 @@ void CalculateGammaBackground::calculateBackgroundSingleFoil(
// Structs to hold geometry & resolution information
DetectorParams foilPar = detPar; // copy
foilPar.t0 = 0.0;
- ResolutionParams foilRes = detRes; // copy
+ CurveFitting::Functions::ResolutionParams foilRes = detRes; // copy
foilRes.dEnGauss = foilInfo.gaussWidth;
foilRes.dEnLorentz = foilInfo.lorentzWidth;
@@ -388,8 +394,9 @@ void CalculateGammaBackground::calculateTofSpectrum(
FunctionFactory::Instance().createInitialized(m_profileFunction));
for (size_t i = 0; i < m_npeaks; ++i) {
- auto profile = boost::dynamic_pointer_cast<ComptonProfile>(
- profileFunction->getFunction(i));
+ auto profile =
+ boost::dynamic_pointer_cast<CurveFitting::Functions::ComptonProfile>(
+ profileFunction->getFunction(i));
profile->disableLogging();
profile->setUpForFit();
profile->cacheYSpaceValues(tseconds, false, detpar, respar);
@@ -422,8 +429,9 @@ void CalculateGammaBackground::retrieveInputs() {
boost::dynamic_pointer_cast<CompositeFunction>(profileFunction)) {
m_npeaks = composite->nFunctions();
for (size_t i = 0; i < m_npeaks; ++i) {
- auto single = boost::dynamic_pointer_cast<ComptonProfile>(
- composite->getFunction(i));
+ auto single =
+ boost::dynamic_pointer_cast<CurveFitting::Functions::ComptonProfile>(
+ composite->getFunction(i));
if (!single) {
throw std::invalid_argument("Invalid function. Composite must contain "
"only ComptonProfile functions");
@@ -595,5 +603,6 @@ std::pair<double, double> CalculateGammaBackground::calculateThetaRange(
return std::make_pair(theta - dtheta, theta + dtheta);
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CalculateMSVesuvio.cpp b/Framework/CurveFitting/src/Algorithms/CalculateMSVesuvio.cpp
similarity index 96%
rename from Framework/CurveFitting/src/CalculateMSVesuvio.cpp
rename to Framework/CurveFitting/src/Algorithms/CalculateMSVesuvio.cpp
index 1b9aea72dde7c708db9ec294cd7861830a9b50c6..c34d6b66b7caf69f416a7fb04af6a6f341c9a881 100644
--- a/Framework/CurveFitting/src/CalculateMSVesuvio.cpp
+++ b/Framework/CurveFitting/src/Algorithms/CalculateMSVesuvio.cpp
@@ -1,11 +1,11 @@
//-----------------------------------------------------------------------------
// Includes
//-----------------------------------------------------------------------------
-#include "MantidCurveFitting/CalculateMSVesuvio.h"
+#include "MantidCurveFitting/Algorithms/CalculateMSVesuvio.h"
// Use helpers for storing detector/resolution parameters
-#include "MantidCurveFitting/ConvertToYSpace.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
#include "MantidCurveFitting/MSVesuvioHelpers.h"
-#include "MantidCurveFitting/VesuvioResolution.h"
+#include "MantidCurveFitting/Functions/VesuvioResolution.h"
#include "MantidAPI/SampleShapeValidator.h"
#include "MantidAPI/WorkspaceValidators.h"
@@ -25,8 +25,11 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace API;
using namespace Kernel;
+using namespace CurveFitting;
+using namespace CurveFitting::Functions;
using Geometry::Link;
using Geometry::ParameterMap;
using Geometry::Track;
@@ -137,7 +140,8 @@ void CalculateMSVesuvio::exec() {
MatrixWorkspace_sptr multsc = WorkspaceFactory::Instance().create(m_inputWS);
// Initialize random number generator
- m_randgen = new MSVesuvioHelper::RandomNumberGenerator(getProperty("Seed"));
+ m_randgen = new CurveFitting::MSVesuvioHelper::RandomNumberGenerator(
+ getProperty("Seed"));
// Setup progress
const size_t nhist = m_inputWS->getNumberHistograms();
@@ -319,11 +323,11 @@ void CalculateMSVesuvio::calculateMS(const size_t wsIndex,
DetectorParams detpar =
ConvertToYSpace::getDetectorParameters(m_inputWS, wsIndex);
detpar.t0 *= 1e6; // t0 in microseconds here
- ResolutionParams respar =
- VesuvioResolution::getResolutionParameters(m_inputWS, wsIndex);
+ Functions::ResolutionParams respar =
+ Functions::VesuvioResolution::getResolutionParameters(m_inputWS, wsIndex);
// Final counts averaged over all simulations
- MSVesuvioHelper::SimulationAggregator accumulator(m_nruns);
+ CurveFitting::MSVesuvioHelper::SimulationAggregator accumulator(m_nruns);
for (size_t i = 0; i < m_nruns; ++i) {
m_progress->report("MS calculation: idx=" +
boost::lexical_cast<std::string>(wsIndex) + ", run=" +
@@ -338,7 +342,8 @@ void CalculateMSVesuvio::calculateMS(const size_t wsIndex,
}
// Average over all runs and assign to output workspaces
- MSVesuvioHelper::SimulationWithErrors avgCounts = accumulator.average();
+ CurveFitting::MSVesuvioHelper::SimulationWithErrors avgCounts =
+ accumulator.average();
avgCounts.normalise();
assignToOutput(avgCounts, totalsc, multsc);
}
@@ -354,7 +359,7 @@ void CalculateMSVesuvio::calculateMS(const size_t wsIndex,
*/
void CalculateMSVesuvio::simulate(
const DetectorParams &detpar, const ResolutionParams &respar,
- MSVesuvioHelper::Simulation &simulCounts) const {
+ CurveFitting::MSVesuvioHelper::Simulation &simulCounts) const {
for (size_t i = 0; i < m_nevents; ++i) {
calculateCounts(detpar, respar, simulCounts);
}
@@ -369,7 +374,7 @@ void CalculateMSVesuvio::simulate(
* scattering contribution
*/
void CalculateMSVesuvio::assignToOutput(
- const MSVesuvioHelper::SimulationWithErrors &avgCounts,
+ const CurveFitting::MSVesuvioHelper::SimulationWithErrors &avgCounts,
API::ISpectrum &totalsc, API::ISpectrum &multsc) const {
// Sum up all multiple scatter events
auto &msscatY = multsc.dataY();
@@ -404,7 +409,7 @@ void CalculateMSVesuvio::assignToOutput(
*/
double CalculateMSVesuvio::calculateCounts(
const DetectorParams &detpar, const ResolutionParams &respar,
- MSVesuvioHelper::Simulation &simulation) const {
+ CurveFitting::MSVesuvioHelper::Simulation &simulation) const {
double weightSum(0.0);
// moderator coord in lab frame
@@ -785,13 +790,14 @@ double CalculateMSVesuvio::generateE1(const double angle, const double e1nom,
const double randv = m_randgen->flat();
if (e1nom < 5000.0) {
if (angle > 90.0)
- return MSVesuvioHelper::finalEnergyAuDD(randv);
+ return CurveFitting::MSVesuvioHelper::finalEnergyAuDD(randv);
else
- return MSVesuvioHelper::finalEnergyAuYap(randv);
+ return CurveFitting::MSVesuvioHelper::finalEnergyAuYap(randv);
} else {
- return MSVesuvioHelper::finalEnergyUranium(randv);
+ return CurveFitting::MSVesuvioHelper::finalEnergyUranium(randv);
}
}
} // namespace Algorithms
+} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ConvertToYSpace.cpp b/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
similarity index 98%
rename from Framework/CurveFitting/src/ConvertToYSpace.cpp
rename to Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
index e7c099c6f5d44cb04c4c958dc3115f5c79776928..1124ff0504e39bf341dc6e2d45f958ec507eeda8 100644
--- a/Framework/CurveFitting/src/ConvertToYSpace.cpp
+++ b/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ConvertToYSpace.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
#include "MantidAPI/WorkspaceValidators.h"
#include "MantidGeometry/Instrument/DetectorGroup.h"
@@ -8,6 +8,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(ConvertToYSpace)
@@ -299,5 +300,6 @@ void ConvertToYSpace::cacheInstrumentGeometry() {
m_samplePos = sample->getPos();
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ConvolveWorkspaces.cpp b/Framework/CurveFitting/src/Algorithms/ConvolveWorkspaces.cpp
similarity index 92%
rename from Framework/CurveFitting/src/ConvolveWorkspaces.cpp
rename to Framework/CurveFitting/src/Algorithms/ConvolveWorkspaces.cpp
index c8bc4034617b52b04c993398b9051a33012d4ca1..860d527201a1ef0c1501070ca0fb35f7b680b631 100644
--- a/Framework/CurveFitting/src/ConvolveWorkspaces.cpp
+++ b/Framework/CurveFitting/src/Algorithms/ConvolveWorkspaces.cpp
@@ -1,9 +1,9 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/ConvolveWorkspaces.h"
-#include "MantidCurveFitting/Convolution.h"
-#include "MantidCurveFitting/TabulatedFunction.h"
+#include "MantidCurveFitting/Algorithms/ConvolveWorkspaces.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
+#include "MantidCurveFitting/Functions/TabulatedFunction.h"
#include <sstream>
#include <gsl/gsl_errno.h>
#include <gsl/gsl_fft_real.h>
@@ -11,6 +11,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(ConvolveWorkspaces)
@@ -25,6 +26,7 @@ using namespace Kernel;
using namespace API;
using namespace DataObjects;
using namespace Geometry;
+using namespace Functions;
void ConvolveWorkspaces::init() {
declareProperty(
@@ -96,4 +98,5 @@ void ConvolveWorkspaces::exec() {
}
} // namespace Algorithms
+} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/EstimatePeakErrors.cpp b/Framework/CurveFitting/src/Algorithms/EstimatePeakErrors.cpp
similarity index 97%
rename from Framework/CurveFitting/src/EstimatePeakErrors.cpp
rename to Framework/CurveFitting/src/Algorithms/EstimatePeakErrors.cpp
index f9f0903ea3654a519c2d13286627ca44b6275f50..3990ef3fbabf9c2d809877eac4c9ca43622d12b0 100644
--- a/Framework/CurveFitting/src/EstimatePeakErrors.cpp
+++ b/Framework/CurveFitting/src/Algorithms/EstimatePeakErrors.cpp
@@ -1,6 +1,6 @@
-#include "MantidCurveFitting/EstimatePeakErrors.h"
+#include "MantidCurveFitting/Algorithms/EstimatePeakErrors.h"
#include "MantidCurveFitting/GSLMatrix.h"
-#include "MantidCurveFitting/PeakParameterFunction.h"
+#include "MantidCurveFitting/Functions/PeakParameterFunction.h"
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/FunctionProperty.h"
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace API;
using namespace Kernel;
using namespace std;
@@ -164,5 +165,6 @@ void EstimatePeakErrors::exec() {
setProperty("OutputWorkspace", results);
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/EvaluateFunction.cpp b/Framework/CurveFitting/src/Algorithms/EvaluateFunction.cpp
similarity index 94%
rename from Framework/CurveFitting/src/EvaluateFunction.cpp
rename to Framework/CurveFitting/src/Algorithms/EvaluateFunction.cpp
index d5c5e9e7099de52de4bcca1fd6203f2ed22cc061..9e072bd88875299e3e259ac3f7b024717c91d27e 100644
--- a/Framework/CurveFitting/src/EvaluateFunction.cpp
+++ b/Framework/CurveFitting/src/Algorithms/EvaluateFunction.cpp
@@ -1,7 +1,8 @@
-#include "MantidCurveFitting/EvaluateFunction.h"
+#include "MantidCurveFitting/Algorithms/EvaluateFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace Mantid::Kernel;
using namespace Mantid::API;
@@ -55,5 +56,6 @@ void EvaluateFunction::execConcrete() {
setProperty("OutputWorkspace", outputWS);
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Fit.cpp b/Framework/CurveFitting/src/Algorithms/Fit.cpp
similarity index 97%
rename from Framework/CurveFitting/src/Fit.cpp
rename to Framework/CurveFitting/src/Algorithms/Fit.cpp
index c37debe935c3074b8cce0224b27cff1c2ae5a4a2..b10b66a8a918dca32327fc32d80a04a0136e399e 100644
--- a/Framework/CurveFitting/src/Fit.cpp
+++ b/Framework/CurveFitting/src/Algorithms/Fit.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/CostFuncFitting.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -18,6 +18,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
// Register the class into the algorithm factory
DECLARE_ALGORITHM(Fit)
@@ -63,7 +64,7 @@ void Fit::initConcrete() {
API::CostFunctionFactory::Instance().getKeys();
// select only CostFuncFitting variety
for (auto it = costFuncOptions.begin(); it != costFuncOptions.end(); ++it) {
- auto costFunc = boost::dynamic_pointer_cast<CostFuncFitting>(
+ auto costFunc = boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
API::CostFunctionFactory::Instance().create(*it));
if (!costFunc) {
*it = "";
@@ -152,8 +153,8 @@ void Fit::execConcrete() {
const size_t maxIterations = static_cast<size_t>(intMaxIterations);
// get the cost function which must be a CostFuncFitting
- boost::shared_ptr<CostFuncFitting> costFunc =
- boost::dynamic_pointer_cast<CostFuncFitting>(
+ boost::shared_ptr<CostFunctions::CostFuncFitting> costFunc =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
API::CostFunctionFactory::Instance().create(
getPropertyValue("CostFunction")));
@@ -362,5 +363,6 @@ void Fit::execConcrete() {
progress(1.0);
}
-} // namespace Algorithm
+} // namespace Algorithms
+} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Fit1D.cpp b/Framework/CurveFitting/src/Algorithms/Fit1D.cpp
similarity index 99%
rename from Framework/CurveFitting/src/Fit1D.cpp
rename to Framework/CurveFitting/src/Algorithms/Fit1D.cpp
index d6db35e872a292e107331397fa707c1a23b3e5bd..3f3db8ff573c4ba24d9da29b069138b950125401 100644
--- a/Framework/CurveFitting/src/Fit1D.cpp
+++ b/Framework/CurveFitting/src/Algorithms/Fit1D.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Fit1D.h"
+#include "MantidCurveFitting/Algorithms/Fit1D.h"
#include <sstream>
#include <numeric>
#include <cmath>
@@ -20,6 +20,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace Kernel;
using API::WorkspaceProperty;
@@ -776,5 +777,6 @@ FitData::FitData(Fit1D *fit, const std::string &fixed)
J.m_map[i] = -1;
}
-} // namespace Algorithm
+} // namespace Algorithms
+} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FitPowderDiffPeaks.cpp b/Framework/CurveFitting/src/Algorithms/FitPowderDiffPeaks.cpp
similarity index 99%
rename from Framework/CurveFitting/src/FitPowderDiffPeaks.cpp
rename to Framework/CurveFitting/src/Algorithms/FitPowderDiffPeaks.cpp
index e24430a6d96c91e439b21d0938cc7e25b45582ab..87801460543315e7aaccd4501e43e74facf27e8f 100644
--- a/Framework/CurveFitting/src/FitPowderDiffPeaks.cpp
+++ b/Framework/CurveFitting/src/Algorithms/FitPowderDiffPeaks.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/FitPowderDiffPeaks.h"
+#include "MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/ArrayProperty.h"
@@ -16,16 +16,16 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/TextAxis.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
-#include "MantidCurveFitting/ThermalNeutronDtoTOFFunction.h"
-#include "MantidCurveFitting/Polynomial.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/BackToBackExponential.h"
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h"
-#include "MantidCurveFitting/DampingMinimizer.h"
-#include "MantidCurveFitting/CostFuncFitting.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/BackToBackExponential.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/FuncMinimizers/DampingMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
#include <boost/algorithm/string.hpp>
#include <boost/algorithm/string/split.hpp>
@@ -50,11 +50,14 @@ using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace Mantid::DataObjects;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Constraints;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
DECLARE_ALGORITHM(FitPowderDiffPeaks)
@@ -590,7 +593,7 @@ void FitPowderDiffPeaks::observePeakRange(BackToBackExponential_sptr thispeak,
* Assumption:
* 1. peak must be in the range of [input peak center - leftdev, + rightdev]
*
- * Prerequisit:
+ * Prerequisites:
* ---- NONE!
*
* Algorithms:
@@ -1853,10 +1856,9 @@ bool FitPowderDiffPeaks::doFitGaussianPeak(DataObjects::Workspace2D_sptr dataws,
// b) Constraint
double centerleftend = in_center - leftfwhm * 0.5;
double centerrightend = in_center + rightfwhm * 0.5;
- CurveFitting::BoundaryConstraint *centerbound =
- new CurveFitting::BoundaryConstraint(gaussianpeak.get(), "PeakCentre",
- centerleftend, centerrightend,
- false);
+ Constraints::BoundaryConstraint *centerbound =
+ new Constraints::BoundaryConstraint(gaussianpeak.get(), "PeakCentre",
+ centerleftend, centerrightend, false);
gaussianpeak->addConstraint(centerbound);
// 3. Fit
@@ -2019,7 +2021,6 @@ bool FitPowderDiffPeaks::doFitMultiplePeaks(
// 1. Fit peaks intensities first
const size_t numpeaks = peakfuncs.size();
map<string, double> peaksfuncparams;
- bool evergood = true;
// a) Set up fit/fix
vector<string> peakparnames = peakfuncs[0]->getParameterNames();
@@ -2043,7 +2044,7 @@ bool FitPowderDiffPeaks::doFitMultiplePeaks(
double chi2;
bool fitgood = doFitNPeaksSimple(dataws, wsindex, peaksfunc, peakfuncs,
"Levenberg-MarquardtMD", 1000, chi2);
- evergood = evergood || fitgood;
+ bool evergood = fitgood;
// c) Process result
if (!fitgood) {
@@ -2811,7 +2812,7 @@ FitPowderDiffPeaks::genPeak(map<string, int> hklmap,
map<string, string> bk2bk2braggmap, bool &good,
vector<int> &hkl, double &d_h) {
// Generate a peak function
- CurveFitting::BackToBackExponential newpeak;
+ BackToBackExponential newpeak;
newpeak.initialize();
BackToBackExponential_sptr newpeakptr =
boost::make_shared<BackToBackExponential>(newpeak);
@@ -3447,5 +3448,6 @@ size_t findMaxValue(MatrixWorkspace_sptr dataws, size_t wsindex,
return imax;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LeBailFit.cpp b/Framework/CurveFitting/src/Algorithms/LeBailFit.cpp
similarity index 99%
rename from Framework/CurveFitting/src/LeBailFit.cpp
rename to Framework/CurveFitting/src/Algorithms/LeBailFit.cpp
index 9996f8049856bb1e88c279037da696b41d2c2f57..21d6e9af3d6c32ae3b6a07aa2cd14487ad0aac60 100644
--- a/Framework/CurveFitting/src/LeBailFit.cpp
+++ b/Framework/CurveFitting/src/Algorithms/LeBailFit.cpp
@@ -4,15 +4,15 @@
* COMMIT NOTES */
-#include "MantidCurveFitting/LeBailFit.h"
+#include "MantidCurveFitting/Algorithms/LeBailFit.h"
#include "MantidKernel/ListValidator.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/VisibleWhenProperty.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
#include "MantidAPI/TextAxis.h"
#include <boost/algorithm/string.hpp>
@@ -43,6 +43,7 @@ using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
const Rfactor badR(DBL_MAX, DBL_MAX);
@@ -340,7 +341,7 @@ void LeBailFit::exec() {
case FIT:
// LeBail Fit
g_log.notice() << "Function: Do LeBail Fit ==> Monte Carlo.\n";
-
+ // fall through
case MONTECARLO:
// Monte carlo Le Bail refinement
g_log.notice("Function: Do LeBail Fit By Monte Carlo Random Walk.");
@@ -2691,5 +2692,6 @@ void writeRfactorsToFile(vector<double> vecX, vector<Rfactor> vecR,
return;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LeBailFunction.cpp b/Framework/CurveFitting/src/Algorithms/LeBailFunction.cpp
similarity index 99%
rename from Framework/CurveFitting/src/LeBailFunction.cpp
rename to Framework/CurveFitting/src/Algorithms/LeBailFunction.cpp
index bed2bfd968fe5c19504ed0b82621c91502ef595e..0d9ee16925a41aaa4efb24ce3524080ca49365b9 100644
--- a/Framework/CurveFitting/src/LeBailFunction.cpp
+++ b/Framework/CurveFitting/src/Algorithms/LeBailFunction.cpp
@@ -1,9 +1,9 @@
#include "MantidAPI/Algorithm.h"
-#include "MantidCurveFitting/LeBailFunction.h"
+#include "MantidCurveFitting/Algorithms/LeBailFunction.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include <sstream>
@@ -18,6 +18,7 @@ const double NEG_DBL_MAX(-1. * DBL_MAX);
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
namespace {
const double PEAKRANGECONSTANT = 5.0;
@@ -894,7 +895,8 @@ void LeBailFunction::addBackgroundFunction(
// Create background function from factory
auto background = FunctionFactory::Instance().createFunction(backgroundtype);
- m_background = boost::dynamic_pointer_cast<BackgroundFunction>(background);
+ m_background =
+ boost::dynamic_pointer_cast<Functions::BackgroundFunction>(background);
// Set order and initialize
m_background->setAttributeValue("n", static_cast<int>(order));
@@ -946,7 +948,7 @@ void LeBailFunction::setFitProfileParameter(string paramname, double minvalue,
std::stringstream parss;
parss << "f0." << paramname;
string parnamef0 = parss.str();
- CurveFitting::BoundaryConstraint *bc = new BoundaryConstraint(
+ Constraints::BoundaryConstraint *bc = new Constraints::BoundaryConstraint(
m_compsiteFunction.get(), parnamef0, minvalue, maxvalue);
m_compsiteFunction->addConstraint(bc);
@@ -1153,4 +1155,5 @@ double LeBailFunction::getPeakMaximumValue(std::vector<int> hkl,
}
} // namespace Mantid
+} // namespace Algorithms
} // namespace CurveFitting
diff --git a/Framework/CurveFitting/src/NormaliseByPeakArea.cpp b/Framework/CurveFitting/src/Algorithms/NormaliseByPeakArea.cpp
similarity index 99%
rename from Framework/CurveFitting/src/NormaliseByPeakArea.cpp
rename to Framework/CurveFitting/src/Algorithms/NormaliseByPeakArea.cpp
index f3a7522bbfac8b7f93e12d9980b70f9c502b4814..780f0feb4261bf251d0c137fae577124e818ec44 100644
--- a/Framework/CurveFitting/src/NormaliseByPeakArea.cpp
+++ b/Framework/CurveFitting/src/Algorithms/NormaliseByPeakArea.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/NormaliseByPeakArea.h"
+#include "MantidCurveFitting/Algorithms/NormaliseByPeakArea.h"
#include "MantidAPI/IFunction.h"
#include "MantidAPI/FunctionFactory.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
/// Starting value of peak position in y-space for fit
double PEAK_POS_GUESS = -0.1;
@@ -381,5 +382,6 @@ void NormaliseByPeakArea::symmetriseYSpace() {
}
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PawleyFit.cpp b/Framework/CurveFitting/src/Algorithms/PawleyFit.cpp
similarity index 94%
rename from Framework/CurveFitting/src/PawleyFit.cpp
rename to Framework/CurveFitting/src/Algorithms/PawleyFit.cpp
index 19cfd18fd2cbb7d9e1c079d6d2aa2c33ddde2979..22b87ff3efafd815630d8527b13152414abfe9cc 100644
--- a/Framework/CurveFitting/src/PawleyFit.cpp
+++ b/Framework/CurveFitting/src/Algorithms/PawleyFit.cpp
@@ -1,7 +1,7 @@
-#include "MantidCurveFitting/PawleyFit.h"
+#include "MantidCurveFitting/Algorithms/PawleyFit.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/PawleyFunction.h"
+#include "MantidCurveFitting/Functions/PawleyFunction.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
@@ -14,6 +14,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace API;
using namespace Kernel;
@@ -62,7 +63,7 @@ double PawleyFit::getTransformedCenter(double d, const Unit_sptr &unit) const {
* @param startX :: Lowest allowed x-value for reflection position.
* @param endX :: Highest allowed x-value for reflection position.
*/
-void PawleyFit::addHKLsToFunction(PawleyFunction_sptr &pawleyFn,
+void PawleyFit::addHKLsToFunction(Functions::PawleyFunction_sptr &pawleyFn,
const ITableWorkspace_sptr &tableWs,
const Unit_sptr &unit, double startX,
double endX) const {
@@ -105,8 +106,8 @@ void PawleyFit::addHKLsToFunction(PawleyFunction_sptr &pawleyFn,
/// Creates a table containing the cell parameters stored in the supplied
/// function.
-ITableWorkspace_sptr
-PawleyFit::getLatticeFromFunction(const PawleyFunction_sptr &pawleyFn) const {
+ITableWorkspace_sptr PawleyFit::getLatticeFromFunction(
+ const Functions::PawleyFunction_sptr &pawleyFn) const {
if (!pawleyFn) {
throw std::invalid_argument(
"Cannot extract lattice parameters from null function.");
@@ -119,7 +120,7 @@ PawleyFit::getLatticeFromFunction(const PawleyFunction_sptr &pawleyFn) const {
latticeParameterTable->addColumn("double", "Value");
latticeParameterTable->addColumn("double", "Error");
- PawleyParameterFunction_sptr parameters =
+ Functions::PawleyParameterFunction_sptr parameters =
pawleyFn->getPawleyParameterFunction();
for (size_t i = 0; i < parameters->nParams(); ++i) {
@@ -133,7 +134,7 @@ PawleyFit::getLatticeFromFunction(const PawleyFunction_sptr &pawleyFn) const {
/// Extracts all profile parameters from the supplied function.
ITableWorkspace_sptr PawleyFit::getPeakParametersFromFunction(
- const PawleyFunction_sptr &pawleyFn) const {
+ const Functions::PawleyFunction_sptr &pawleyFn) const {
if (!pawleyFn) {
throw std::invalid_argument(
"Cannot extract peak parameters from null function.");
@@ -167,8 +168,8 @@ ITableWorkspace_sptr PawleyFit::getPeakParametersFromFunction(
/// Returns a composite function consisting of the Pawley function and Chebyshev
/// background if enabled in the algorithm.
-IFunction_sptr
-PawleyFit::getCompositeFunction(const PawleyFunction_sptr &pawleyFn) const {
+IFunction_sptr PawleyFit::getCompositeFunction(
+ const Functions::PawleyFunction_sptr &pawleyFn) const {
CompositeFunction_sptr composite = boost::make_shared<CompositeFunction>();
composite->addFunction(pawleyFn);
@@ -271,8 +272,9 @@ void PawleyFit::init() {
/// Execution of algorithm.
void PawleyFit::exec() {
// Setup PawleyFunction with cell from input parameters
- PawleyFunction_sptr pawleyFn = boost::dynamic_pointer_cast<PawleyFunction>(
- FunctionFactory::Instance().createFunction("PawleyFunction"));
+ Functions::PawleyFunction_sptr pawleyFn =
+ boost::dynamic_pointer_cast<Functions::PawleyFunction>(
+ FunctionFactory::Instance().createFunction("PawleyFunction"));
g_log.information() << "Setting up Pawley function..." << std::endl;
std::string profileFunction = getProperty("PeakProfileFunction");
@@ -286,7 +288,7 @@ void PawleyFit::exec() {
<< std::endl;
pawleyFn->setUnitCell(getProperty("InitialCell"));
- PawleyParameterFunction_sptr pawleyParameterFunction =
+ Functions::PawleyParameterFunction_sptr pawleyParameterFunction =
pawleyFn->getPawleyParameterFunction();
g_log.information()
<< " Initial unit cell: "
@@ -416,5 +418,6 @@ V3D V3DFromHKLColumnExtractor::getHKLFromString(
return hkl;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PlotPeakByLogValue.cpp b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
similarity index 99%
rename from Framework/CurveFitting/src/PlotPeakByLogValue.cpp
rename to Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
index 152331bab772848b2fb6d7efc2446d16b335564e..1478d845126c02fd1f1acc413dd612f3e9d521e8 100644
--- a/Framework/CurveFitting/src/PlotPeakByLogValue.cpp
+++ b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
@@ -10,7 +10,7 @@
#include <boost/lexical_cast.hpp>
#include <boost/algorithm/string/replace.hpp>
-#include "MantidCurveFitting/PlotPeakByLogValue.h"
+#include "MantidCurveFitting/Algorithms/PlotPeakByLogValue.h"
#include "MantidAPI/IFuncMinimizer.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -35,6 +35,7 @@ Mantid::Kernel::Logger g_log("PlotPeakByLogValue");
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
using namespace Kernel;
using namespace API;
@@ -618,5 +619,6 @@ PlotPeakByLogValue::getMinimizerString(const std::string &wsName,
return format;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/RefinePowderInstrumentParameters.cpp b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
similarity index 82%
rename from Framework/CurveFitting/src/RefinePowderInstrumentParameters.cpp
rename to Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
index f47bdf5eac157d3ebd042ce8bcabb098e9374eca..80d4fdec61c340ed49b564399931f1824e76dc26 100644
--- a/Framework/CurveFitting/src/RefinePowderInstrumentParameters.cpp
+++ b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/RefinePowderInstrumentParameters.h"
+#include "MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/ArrayProperty.h"
@@ -14,11 +14,11 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/TextAxis.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/BackgroundFunction.h"
-#include "MantidCurveFitting/Polynomial.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Gaussian.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
#include "MantidGeometry/Crystal/UnitCell.h"
@@ -33,18 +33,24 @@ using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace Mantid::DataObjects;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Constraints;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
DECLARE_ALGORITHM(RefinePowderInstrumentParameters)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-RefinePowderInstrumentParameters::RefinePowderInstrumentParameters() {}
+RefinePowderInstrumentParameters::RefinePowderInstrumentParameters()
+ : m_BestGSLChi2(0.0), m_MinSigma(0.0), m_MinNumFittedPeaks(0),
+ m_MaxNumberStoredParameters(0) {}
//----------------------------------------------------------------------------------------------
/** Destructor
@@ -141,7 +147,7 @@ void RefinePowderInstrumentParameters::exec() {
DataObjects::TableWorkspace_sptr parameterWS =
this->getProperty("InstrumentParameterWorkspace");
- mMinSigma = getProperty("MinSigma");
+ m_MinSigma = getProperty("MinSigma");
int tempint = getProperty("MinNumberFittedPeaks");
if (tempint <= 1) {
@@ -149,13 +155,13 @@ void RefinePowderInstrumentParameters::exec() {
<< " is too small. " << endl;
throw std::invalid_argument("Input MinNumberFittedPeaks is too small.");
}
- mMinNumFittedPeaks = static_cast<size_t>(tempint);
+ m_MinNumFittedPeaks = static_cast<size_t>(tempint);
tempint = getProperty("NumberBestFitRecorded");
if (tempint <= 0)
throw runtime_error(
"Input NumberBestFitRecorded cannot be less and equal to 0. ");
- mMaxNumberStoredParameters = static_cast<size_t>(tempint);
+ m_MaxNumberStoredParameters = static_cast<size_t>(tempint);
string algoption = getProperty("RefinementAlgorithm");
if (algoption.compare("DirectFit") == 0)
@@ -168,14 +174,14 @@ void RefinePowderInstrumentParameters::exec() {
// 2. Parse input table workspace
genPeaksFromTable(peakWS);
- importParametersFromTable(parameterWS, mFuncParameters);
- mOrigParameters = mFuncParameters;
+ importParametersFromTable(parameterWS, m_FuncParameters);
+ m_OrigParameters = m_FuncParameters;
// 3. Generate a cener workspace as function of d-spacing.
bool usemc = false;
if (refinealgorithm == MonteCarlo)
usemc = true;
- genPeakCentersWorkspace(usemc, mMaxNumberStoredParameters);
+ genPeakCentersWorkspace(usemc, m_MaxNumberStoredParameters);
// 4. Fit instrument geometry function
stringstream errss;
@@ -204,7 +210,7 @@ void RefinePowderInstrumentParameters::exec() {
}
// 5. Set output workspace
- this->setProperty("OutputWorkspace", dataWS);
+ this->setProperty("OutputWorkspace", m_dataWS);
// 6. Output new instrument parameters
DataObjects::TableWorkspace_sptr fitparamws =
@@ -223,18 +229,17 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
<< endl;
// 1. Initialize the fitting function
- CurveFitting::ThermalNeutronDtoTOFFunction rawfunc;
- mFunction =
- boost::make_shared<CurveFitting::ThermalNeutronDtoTOFFunction>(rawfunc);
- mFunction->initialize();
+ ThermalNeutronDtoTOFFunction rawfunc;
+ m_Function = boost::make_shared<ThermalNeutronDtoTOFFunction>(rawfunc);
+ m_Function->initialize();
- API::FunctionDomain1DVector domain(dataWS->readX(1));
+ API::FunctionDomain1DVector domain(m_dataWS->readX(1));
API::FunctionValues values(domain);
- const MantidVec &rawY = dataWS->readY(0);
- const MantidVec &rawE = dataWS->readE(0);
+ const MantidVec &rawY = m_dataWS->readY(0);
+ const MantidVec &rawE = m_dataWS->readE(0);
// 2. Set up parameters values
- std::vector<std::string> funparamnames = mFunction->getParameterNames();
+ std::vector<std::string> funparamnames = m_Function->getParameterNames();
std::vector<std::string> paramtofit = getProperty("ParametersToFit");
std::sort(paramtofit.begin(), paramtofit.end());
@@ -244,22 +249,22 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
std::map<std::string, double>::iterator paramiter;
for (size_t i = 0; i < funparamnames.size(); ++i) {
string parname = funparamnames[i];
- paramiter = mFuncParameters.find(parname);
- if (paramiter == mFuncParameters.end()) {
+ paramiter = m_FuncParameters.find(parname);
+ if (paramiter == m_FuncParameters.end()) {
// Not found and thus skip
continue;
}
double parvalue = paramiter->second;
- mFunction->setParameter(parname, parvalue);
+ m_Function->setParameter(parname, parvalue);
msgss << setw(10) << parname << " = " << parvalue << endl;
}
cout << msgss.str();
// 2b. Calculate the statistic of the starting values
- double gslchi2 = calculateFunctionStatistic(mFunction, dataWS, 0);
+ double gslchi2 = calculateFunctionStatistic(m_Function, m_dataWS, 0);
double homchi2 =
- calculateD2TOFFunction(mFunction, domain, values, rawY, rawE);
+ calculateD2TOFFunction(m_Function, domain, values, rawY, rawE);
cout << "Fit Starting Value: Chi^2 (GSL) = " << gslchi2
<< ", Chi2^2 (Home) = " << homchi2 << endl;
@@ -271,9 +276,9 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
vsiter = std::find(paramtofit.begin(), paramtofit.end(), parname);
if (vsiter == paramtofit.end())
- mFunction->fix(i);
+ m_Function->fix(i);
else
- mFunction->unfix(i);
+ m_Function->unfix(i);
}
// 4. Select minimizer. Use Simplex for more than 1 parameters to fit.
@@ -285,13 +290,13 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
g_log.information() << "Fit use minizer: " << minimizer << endl;
// 5. Create and setup fit algorithm
- g_log.information() << "Fit instrument geometry: " << mFunction->asString()
+ g_log.information() << "Fit instrument geometry: " << m_Function->asString()
<< std::endl;
stringstream outss;
- for (size_t i = 0; i < dataWS->readX(0).size(); ++i)
- outss << dataWS->readX(0)[i] << "\t\t" << dataWS->readY(0)[i] << "\t\t"
- << dataWS->readE(0)[i] << endl;
+ for (size_t i = 0; i < m_dataWS->readX(0).size(); ++i)
+ outss << m_dataWS->readX(0)[i] << "\t\t" << m_dataWS->readY(0)[i] << "\t\t"
+ << m_dataWS->readE(0)[i] << endl;
cout << "Input Peak Position Workspace To Fit: " << endl
<< outss.str() << endl;
@@ -299,8 +304,8 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
fitalg->initialize();
fitalg->setProperty("Function",
- boost::dynamic_pointer_cast<API::IFunction>(mFunction));
- fitalg->setProperty("InputWorkspace", dataWS);
+ boost::dynamic_pointer_cast<API::IFunction>(m_Function));
+ fitalg->setProperty("InputWorkspace", m_dataWS);
fitalg->setProperty("WorkspaceIndex", 0);
fitalg->setProperty("Minimizer", minimizer);
fitalg->setProperty("CostFunction", "Least squares");
@@ -323,31 +328,31 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
API::IFunction_sptr fitfunc = fitalg->getProperty("Function");
// 4. Set the output data (model and diff)
- mFunction->function(domain, values);
+ m_Function->function(domain, values);
for (size_t i = 0; i < domain.size(); ++i) {
- dataWS->dataY(1)[i] = values[i];
- dataWS->dataY(2)[i] = dataWS->readY(0)[i] - values[i];
+ m_dataWS->dataY(1)[i] = values[i];
+ m_dataWS->dataY(2)[i] = m_dataWS->readY(0)[i] - values[i];
}
double selfchi2 =
- calculateD2TOFFunction(mFunction, domain, values, rawY, rawE);
+ calculateD2TOFFunction(m_Function, domain, values, rawY, rawE);
cout << "Homemade Chi^2 = " << selfchi2 << endl;
// 5. Update fitted parameters
for (size_t i = 0; i < funparamnames.size(); ++i) {
std::string parname = funparamnames[i];
double parvalue = fitfunc->getParameter(parname);
- mFuncParameters[parname] = parvalue;
+ m_FuncParameters[parname] = parvalue;
}
// 6. Pretty screen output
stringstream dbss;
dbss << "************ Fit Parameter Result *************" << std::endl;
- for (paramiter = mFuncParameters.begin(); paramiter != mFuncParameters.end();
- ++paramiter) {
+ for (paramiter = m_FuncParameters.begin();
+ paramiter != m_FuncParameters.end(); ++paramiter) {
std::string parname = paramiter->first;
- double inpparvalue = mOrigParameters[parname];
+ double inpparvalue = m_OrigParameters[parname];
double parvalue = paramiter->second;
dbss << setw(20) << parname << " = " << setw(15) << setprecision(6)
<< parvalue << "\t\tFrom " << setw(15) << setprecision(6)
@@ -359,18 +364,18 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
// 7. Play with Zscore: template<typename TYPE>
// std::vector<double> getZscore(const std::vector<TYPE>& data, const bool
// sorted=false);
- vector<double> z0 = Kernel::getZscore(dataWS->readY(0));
- vector<double> z1 = Kernel::getZscore(dataWS->readY(1));
- vector<double> z2 = Kernel::getZscore(dataWS->readY(2));
+ vector<double> z0 = Kernel::getZscore(m_dataWS->readY(0));
+ vector<double> z1 = Kernel::getZscore(m_dataWS->readY(1));
+ vector<double> z2 = Kernel::getZscore(m_dataWS->readY(2));
stringstream zss;
zss << setw(20) << "d_h" << setw(20) << "Z DataY" << setw(20) << "Z ModelY"
<< setw(20) << "Z DiffY" << setw(20) << "DiffY" << endl;
for (size_t i = 0; i < z0.size(); ++i) {
- double d_h = dataWS->readX(0)[i];
+ double d_h = m_dataWS->readX(0)[i];
double zdatay = z0[i];
double zmodely = z1[i];
double zdiffy = z2[i];
- double diffy = dataWS->readY(2)[i];
+ double diffy = m_dataWS->readY(2)[i];
zss << setw(20) << d_h << setw(20) << zdatay << setw(20) << zmodely
<< setw(20) << zdiffy << setw(20) << diffy << endl;
}
@@ -389,7 +394,7 @@ bool RefinePowderInstrumentParameters::fitFunction(IFunction_sptr func,
fitalg->setProperty("Function",
boost::dynamic_pointer_cast<API::IFunction>(func));
- fitalg->setProperty("InputWorkspace", dataWS);
+ fitalg->setProperty("InputWorkspace", m_dataWS);
fitalg->setProperty("WorkspaceIndex", 0);
fitalg->setProperty("Minimizer", "Simplex");
fitalg->setProperty("CostFunction", "Least squares");
@@ -459,19 +464,20 @@ double RefinePowderInstrumentParameters::calculateFunctionStatistic(
void RefinePowderInstrumentParameters::refineInstrumentParametersMC(
TableWorkspace_sptr parameterWS, bool fit2) {
// 1. Get function's parameter names
- getD2TOFFuncParamNames(mPeakFunctionParameterNames);
+ getD2TOFFuncParamNames(m_PeakFunctionParameterNames);
// 2. Parse parameter (table) workspace
vector<double> stepsizes, lowerbounds, upperbounds;
- importMonteCarloParametersFromTable(parameterWS, mPeakFunctionParameterNames,
+ importMonteCarloParametersFromTable(parameterWS, m_PeakFunctionParameterNames,
stepsizes, lowerbounds, upperbounds);
stringstream dbss;
- for (size_t i = 0; i < mPeakFunctionParameterNames.size(); ++i) {
- dbss << setw(20) << mPeakFunctionParameterNames[i] << ": Min = " << setw(15)
- << setprecision(6) << lowerbounds[i] << ", Max = " << setw(15)
- << setprecision(6) << upperbounds[i] << ", Step Size = " << setw(15)
- << setprecision(6) << stepsizes[i] << endl;
+ for (size_t i = 0; i < m_PeakFunctionParameterNames.size(); ++i) {
+ dbss << setw(20) << m_PeakFunctionParameterNames[i]
+ << ": Min = " << setw(15) << setprecision(6) << lowerbounds[i]
+ << ", Max = " << setw(15) << setprecision(6) << upperbounds[i]
+ << ", Step Size = " << setw(15) << setprecision(6) << stepsizes[i]
+ << endl;
}
g_log.notice() << "Monte Carlo Parameters: " << endl
<< dbss.str();
@@ -491,33 +497,33 @@ void RefinePowderInstrumentParameters::refineInstrumentParametersMC(
double stepsizescalefactor = 1.1;
// 5. Monte Carlo simulation
- doParameterSpaceRandomWalk(mPeakFunctionParameterNames, lowerbounds,
+ doParameterSpaceRandomWalk(m_PeakFunctionParameterNames, lowerbounds,
upperbounds, stepsizes, maxsteps,
stepsizescalefactor, fit2);
// 6. Record the result
- const MantidVec &X = dataWS->readX(0);
- const MantidVec &Y = dataWS->readY(0);
- const MantidVec &E = dataWS->readE(0);
+ const MantidVec &X = m_dataWS->readX(0);
+ const MantidVec &Y = m_dataWS->readY(0);
+ const MantidVec &E = m_dataWS->readE(0);
FunctionDomain1DVector domain(X);
FunctionValues values(domain);
- for (size_t i = 0; i < mBestFitParameters.size(); ++i) {
+ for (size_t i = 0; i < m_BestFitParameters.size(); ++i) {
// a. Set the function with the
- for (size_t j = 0; j < mPeakFunctionParameterNames.size(); ++j) {
- mFunction->setParameter(mPeakFunctionParameterNames[j],
- mBestFitParameters[i].second[j]);
+ for (size_t j = 0; j < m_PeakFunctionParameterNames.size(); ++j) {
+ m_Function->setParameter(m_PeakFunctionParameterNames[j],
+ m_BestFitParameters[i].second[j]);
}
// b. Calculate
- calculateD2TOFFunction(mFunction, domain, values, Y, E);
+ calculateD2TOFFunction(m_Function, domain, values, Y, E);
vector<double> vec_n;
- calculateThermalNeutronSpecial(mFunction, X, vec_n);
+ calculateThermalNeutronSpecial(m_Function, X, vec_n);
// c. Put the data to output workspace
- MantidVec &newY = dataWS->dataY(3 * i + 1);
- MantidVec &newD = dataWS->dataY(3 * i + 2);
- MantidVec &newN = dataWS->dataY(3 * i + 3);
+ MantidVec &newY = m_dataWS->dataY(3 * i + 1);
+ MantidVec &newD = m_dataWS->dataY(3 * i + 2);
+ MantidVec &newN = m_dataWS->dataY(3 * i + 3);
for (size_t j = 0; j < newY.size(); ++j) {
newY[j] = values[j];
newD[j] = Y[j] - values[j];
@@ -545,30 +551,30 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
<< setw(20) << "Upper Boundary" << setw(20) << "Step Size" << endl;
for (size_t i = 0; i < parnames.size(); ++i)
inpinfo << setw(20) << parnames[i] << setw(20) <<
- mFuncParameters[parnames[i]]
+ m_FuncParameters[parnames[i]]
<< setw(20) << lowerbounds[i]
<< setw(20) << upperbounds[i] << setw(20) << stepsizes[i] << endl;
cout << inpinfo.str();
------------*/
- // 1. Set up starting values, esp. to mFunction
+ // 1. Set up starting values, esp. to m_Function
size_t numparameters = parnames.size();
vector<double> paramvalues;
for (size_t i = 0; i < numparameters; ++i) {
string parname = parnames[i];
- double parvalue = mFuncParameters[parname];
+ double parvalue = m_FuncParameters[parname];
paramvalues.push_back(parvalue);
- mFunction->setParameter(parname, parvalue);
+ m_Function->setParameter(parname, parvalue);
}
// Calcualte the function's initial statistic
- mBestGSLChi2 = calculateFunctionStatistic(mFunction, dataWS, 0);
- cout << "Function with starting values has Chi2 = " << mBestGSLChi2
+ m_BestGSLChi2 = calculateFunctionStatistic(m_Function, m_dataWS, 0);
+ cout << "Function with starting values has Chi2 = " << m_BestGSLChi2
<< " (GSL L.M) " << endl;
- const MantidVec &X = dataWS->readX(0);
- const MantidVec &rawY = dataWS->readY(0);
- const MantidVec &rawE = dataWS->readE(0);
+ const MantidVec &X = m_dataWS->readX(0);
+ const MantidVec &rawY = m_dataWS->readY(0);
+ const MantidVec &rawE = m_dataWS->readE(0);
FunctionDomain1DVector domain(X);
FunctionValues values(domain);
@@ -620,7 +626,7 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
// 4. Do MC loops
double curchi2 =
- calculateD2TOFFunction(mFunction, domain, values, rawY, rawE);
+ calculateD2TOFFunction(m_Function, domain, values, rawY, rawE);
g_log.notice() << "Monte Carlo Random Walk Starting Chi^2 = " << curchi2
<< endl;
@@ -653,7 +659,7 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
}
try {
- mFunction->setParameter(parnames[paramindex], newvalue);
+ m_Function->setParameter(parnames[paramindex], newvalue);
} catch (runtime_error &) {
stringstream errss;
errss << "New Value = " << newvalue
@@ -666,13 +672,13 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
// b. Calcualte the new
double newchi2 =
- calculateD2TOFFunction(mFunction, domain, values, rawY, rawE);
+ calculateD2TOFFunction(m_Function, domain, values, rawY, rawE);
// Optionally fit
if (fit2) {
// i. Copy the parameters
for (size_t i = 0; i < numparameters; ++i) {
- double parvalue = mFunction->getParameter(i);
+ double parvalue = m_Function->getParameter(i);
func4fit->setParameter(i, parvalue);
}
@@ -685,8 +691,8 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
double homchi2 =
calculateD2TOFFunction(func4fit, domain, values, rawY, rawE);
- if (gslchi2 < mBestGSLChi2)
- mBestGSLChi2 = gslchi2;
+ if (gslchi2 < m_BestGSLChi2)
+ m_BestGSLChi2 = gslchi2;
// iv. Archive
vector<double> newparvalues;
@@ -694,15 +700,15 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
double parvalue = func4fit->getParameter(i);
newparvalues.push_back(parvalue);
}
- mBestFitParameters.push_back(make_pair(homchi2, newparvalues));
- mBestFitChi2s.push_back(make_pair(homchi2, gslchi2));
+ m_BestFitParameters.push_back(make_pair(homchi2, newparvalues));
+ m_BestFitChi2s.push_back(make_pair(homchi2, gslchi2));
// v. Sort and keep in size
- sort(mBestFitParameters.begin(), mBestFitParameters.end());
- sort(mBestFitChi2s.begin(), mBestFitChi2s.end());
- if (mBestFitParameters.size() > mMaxNumberStoredParameters) {
- mBestFitParameters.pop_back();
- mBestFitChi2s.pop_back();
+ sort(m_BestFitParameters.begin(), m_BestFitParameters.end());
+ sort(m_BestFitChi2s.begin(), m_BestFitChi2s.end());
+ if (m_BestFitParameters.size() > m_MaxNumberStoredParameters) {
+ m_BestFitParameters.pop_back();
+ m_BestFitChi2s.pop_back();
}
// cout << "\tHomemade Chi^2 = " << homchi2 << endl;
@@ -749,12 +755,12 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
// ii. Add the new values to vector
vector<double> parametervalues = paramvalues;
- mBestMCParameters.push_back(make_pair(newchi2, parametervalues));
+ m_BestMCParameters.push_back(make_pair(newchi2, parametervalues));
// iii. Sort and delete the last if necessary
- sort(mBestMCParameters.begin(), mBestMCParameters.end());
- if (mBestMCParameters.size() > mMaxNumberStoredParameters)
- mBestMCParameters.pop_back();
+ sort(m_BestMCParameters.begin(), m_BestMCParameters.end());
+ if (m_BestMCParameters.size() > m_MaxNumberStoredParameters)
+ m_BestMCParameters.pop_back();
// iv. Update chi2 and ...
curchi2 = newchi2;
@@ -770,24 +776,24 @@ void RefinePowderInstrumentParameters::doParameterSpaceRandomWalk(
// 3. Debug output
stringstream mcresult;
- mcresult << "Monte Carlo Result for " << mBestMCParameters.size()
+ mcresult << "Monte Carlo Result for " << m_BestMCParameters.size()
<< " Best Results" << endl;
mcresult << "Number of acceptance = " << numacceptance << ", out of "
<< maxsteps << " MC steps."
<< "Accept ratio = "
<< static_cast<double>(numacceptance) / static_cast<double>(maxsteps)
<< endl;
- mcresult << "Best " << mBestMCParameters.size()
+ mcresult << "Best " << m_BestMCParameters.size()
<< " Monte Carlo (no fit) results: " << endl;
- for (size_t i = 0; i < mBestMCParameters.size(); ++i) {
- mcresult << setw(3) << i << ": Chi^2 = " << mBestMCParameters[i].first
+ for (size_t i = 0; i < m_BestMCParameters.size(); ++i) {
+ mcresult << setw(3) << i << ": Chi^2 = " << m_BestMCParameters[i].first
<< endl;
}
- mcresult << "Best " << mBestMCParameters.size()
- << " fitting results. Best Chi^2 = " << mBestGSLChi2 << endl;
- for (size_t i = 0; i < mBestFitParameters.size(); ++i) {
- mcresult << setw(3) << i << ": Chi^2 = " << mBestFitParameters[i].first
- << ", GSL Chi^2 = " << mBestFitChi2s[i].second << endl;
+ mcresult << "Best " << m_BestMCParameters.size()
+ << " fitting results. Best Chi^2 = " << m_BestGSLChi2 << endl;
+ for (size_t i = 0; i < m_BestFitParameters.size(); ++i) {
+ mcresult << setw(3) << i << ": Chi^2 = " << m_BestFitParameters[i].first
+ << ", GSL Chi^2 = " << m_BestFitChi2s[i].second << endl;
}
g_log.notice() << mcresult.str();
@@ -802,11 +808,11 @@ void RefinePowderInstrumentParameters::getD2TOFFuncParamNames(
parnames.clear();
// 2. Get the parameter names from function
- CurveFitting::ThermalNeutronDtoTOFFunction d2toffunc;
+ ThermalNeutronDtoTOFFunction d2toffunc;
d2toffunc.initialize();
std::vector<std::string> funparamnames = d2toffunc.getParameterNames();
- mFunction = boost::make_shared<ThermalNeutronDtoTOFFunction>(d2toffunc);
+ m_Function = boost::make_shared<ThermalNeutronDtoTOFFunction>(d2toffunc);
// 3. Copy
parnames = funparamnames;
@@ -821,14 +827,14 @@ double RefinePowderInstrumentParameters::calculateD2TOFFunction(
const MantidVec &rawY, const MantidVec &rawE) {
// 1. Check validity
if (!func) {
- throw std::runtime_error("mFunction has not been initialized!");
+ throw std::runtime_error("m_Function has not been initialized!");
} else {
/*
- vector<string> parnames = mFunction->getParameterNames();
+ vector<string> parnames = m_Function->getParameterNames();
for (size_t i = 0; i < parnames.size(); ++i)
{
cout << "DBx1125 " << parnames[i] << " = " <<
- mFunction->getParameter(parnames[i]) << endl;
+ m_Function->getParameter(parnames[i]) << endl;
}
*/
;
@@ -858,7 +864,7 @@ double RefinePowderInstrumentParameters::calculateD2TOFFunction(
//------------------------------- Processing Inputs
//----------------------------------------
/** Genearte peaks from input workspace
- * Peaks are stored in a map. (HKL) is the key
+ * m_Peaks are stored in a map. (HKL) is the key
*/
void RefinePowderInstrumentParameters::genPeaksFromTable(
DataObjects::TableWorkspace_sptr peakparamws) {
@@ -870,7 +876,7 @@ void RefinePowderInstrumentParameters::genPeaksFromTable(
"Invalid input table workspace for peak parameters");
}
- mPeaks.clear();
+ m_Peaks.clear();
// 2. Parse table workspace rows to generate peaks
vector<string> colnames = peakparamws->getColumnNames();
@@ -878,7 +884,7 @@ void RefinePowderInstrumentParameters::genPeaksFromTable(
for (size_t ir = 0; ir < numrows; ++ir) {
// a) Generate peak
- CurveFitting::BackToBackExponential newpeak;
+ BackToBackExponential newpeak;
newpeak.initialize();
// b) Parse parameters
@@ -929,20 +935,20 @@ void RefinePowderInstrumentParameters::genPeaksFromTable(
newpeak.setParameter("I", height);
// d) Make to share pointer and set to instance data structure (map)
- CurveFitting::BackToBackExponential_sptr newpeakptr =
- boost::make_shared<CurveFitting::BackToBackExponential>(newpeak);
+ BackToBackExponential_sptr newpeakptr =
+ boost::make_shared<BackToBackExponential>(newpeak);
std::vector<int> hkl;
hkl.push_back(h);
hkl.push_back(k);
hkl.push_back(l);
- mPeaks.insert(std::make_pair(hkl, newpeakptr));
+ m_Peaks.insert(std::make_pair(hkl, newpeakptr));
- mPeakErrors.insert(make_pair(hkl, chi2));
+ m_PeakErrors.insert(make_pair(hkl, chi2));
- g_log.information() << "[GeneratePeaks] Peak " << ir << " HKL = [" << hkl[0]
- << ", " << hkl[1] << ", " << hkl[2]
+ g_log.information() << "[Generatem_Peaks] Peak " << ir << " HKL = ["
+ << hkl[0] << ", " << hkl[1] << ", " << hkl[2]
<< "], Input Center = " << setw(10) << setprecision(6)
<< newpeak.centre() << endl;
@@ -1115,17 +1121,17 @@ hkl, double lattice)
/** Calcualte value n for thermal neutron peak profile
*/
void RefinePowderInstrumentParameters::calculateThermalNeutronSpecial(
- IFunction_sptr mFunction, vector<double> vec_d, vector<double> &vec_n) {
- if (mFunction->name().compare("ThermalNeutronDtoTOFFunction") != 0) {
- g_log.warning() << "Function (" << mFunction->name()
+ IFunction_sptr m_Function, vector<double> vec_d, vector<double> &vec_n) {
+ if (m_Function->name().compare("ThermalNeutronDtoTOFFunction") != 0) {
+ g_log.warning() << "Function (" << m_Function->name()
<< " is not ThermalNeutronDtoTOFFunction. And it is not "
"required to calculate n." << endl;
for (size_t i = 0; i < vec_d.size(); ++i)
vec_n.push_back(0);
}
- double width = mFunction->getParameter("Width");
- double tcross = mFunction->getParameter("Tcross");
+ double width = m_Function->getParameter("Width");
+ double tcross = m_Function->getParameter("Tcross");
for (size_t i = 0; i < vec_d.size(); ++i) {
double dh = vec_d[i];
@@ -1146,7 +1152,7 @@ void RefinePowderInstrumentParameters::calculateThermalNeutronSpecial(
void RefinePowderInstrumentParameters::genPeakCentersWorkspace(
bool montecarlo, size_t numbestfit) {
// 1. Collect values in a vector for sorting
- double lattice = mFuncParameters["LatticeConstant"];
+ double lattice = m_FuncParameters["LatticeConstant"];
if (lattice < 1.0E-5) {
std::stringstream errmsg;
errmsg << "Input Lattice constant = " << lattice
@@ -1167,19 +1173,18 @@ void RefinePowderInstrumentParameters::genPeakCentersWorkspace(
throw runtime_error(errss.str());
}
- std::map<std::vector<int>, CurveFitting::BackToBackExponential_sptr>::iterator
- peakiter;
+ std::map<std::vector<int>, BackToBackExponential_sptr>::iterator peakiter;
std::vector<std::pair<double, std::pair<double, double>>>
peakcenters; // d_h [TOF_h, CHI2]
Geometry::UnitCell unitcell(lattice, lattice, lattice, 90.0, 90.0, 90.0);
- for (peakiter = mPeaks.begin(); peakiter != mPeaks.end(); ++peakiter) {
+ for (peakiter = m_Peaks.begin(); peakiter != m_Peaks.end(); ++peakiter) {
vector<int> hkl = peakiter->first;
BackToBackExponential_sptr peak = peakiter->second;
double sigma = peak->getParameter("S");
- if (sigma < mMinSigma) {
+ if (sigma < m_MinSigma) {
g_log.information() << "Peak (" << hkl[0] << ", " << hkl[1] << ", "
<< hkl[2]
<< ") has unphysically small Sigma = " << sigma
@@ -1220,18 +1225,18 @@ void RefinePowderInstrumentParameters::genPeakCentersWorkspace(
nspec = 1 + 3;
}
- dataWS = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(
+ m_dataWS = boost::dynamic_pointer_cast<DataObjects::Workspace2D>(
API::WorkspaceFactory::Instance().create("Workspace2D", nspec, size,
size));
- dataWS->getAxis(0)->setUnit("dSpacing");
+ m_dataWS->getAxis(0)->setUnit("dSpacing");
// 4. Put data to output workspace
for (size_t i = 0; i < peakcenters.size(); ++i) {
for (size_t j = 0; j < nspec; ++j) {
- dataWS->dataX(j)[i] = peakcenters[i].first;
+ m_dataWS->dataX(j)[i] = peakcenters[i].first;
}
- dataWS->dataY(0)[i] = peakcenters[i].second.first;
- dataWS->dataE(0)[i] = peakcenters[i].second.second;
+ m_dataWS->dataY(0)[i] = peakcenters[i].second.first;
+ m_dataWS->dataE(0)[i] = peakcenters[i].second.second;
}
return;
@@ -1248,18 +1253,18 @@ RefinePowderInstrumentParameters::genMCResultTable() {
tablews->addColumn("double", "Chi2");
tablews->addColumn("double", "GSLChi2");
- for (size_t i = 0; i < mPeakFunctionParameterNames.size(); ++i) {
- tablews->addColumn("double", mPeakFunctionParameterNames[i]);
+ for (size_t i = 0; i < m_PeakFunctionParameterNames.size(); ++i) {
+ tablews->addColumn("double", m_PeakFunctionParameterNames[i]);
}
// 2. Put values in
- for (size_t ib = 0; ib < mBestFitParameters.size(); ++ib) {
+ for (size_t ib = 0; ib < m_BestFitParameters.size(); ++ib) {
TableRow newrow = tablews->appendRow();
- double chi2 = mBestFitParameters[ib].first;
- double gslchi2 = mBestFitChi2s[ib].second;
+ double chi2 = m_BestFitParameters[ib].first;
+ double gslchi2 = m_BestFitChi2s[ib].second;
newrow << chi2 << gslchi2;
- for (size_t ip = 0; ip < mPeakFunctionParameterNames.size(); ++ip) {
- double tempdbl = mBestFitParameters[ib].second[ip];
+ for (size_t ip = 0; ip < m_PeakFunctionParameterNames.size(); ++ip) {
+ double tempdbl = m_BestFitParameters[ib].second[ip];
newrow << tempdbl;
}
} // ENDFOR 1 Best Answer
@@ -1288,7 +1293,7 @@ RefinePowderInstrumentParameters::genOutputInstrumentParameterTable() {
std::map<std::string, double>::iterator pariter;
- for (pariter = mFuncParameters.begin(); pariter != mFuncParameters.end();
+ for (pariter = m_FuncParameters.begin(); pariter != m_FuncParameters.end();
++pariter) {
API::TableRow newrow = newtablews->appendRow();
std::string parname = pariter->first;
@@ -1299,5 +1304,6 @@ RefinePowderInstrumentParameters::genOutputInstrumentParameterTable() {
return newtablews;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/RefinePowderInstrumentParameters3.cpp b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters3.cpp
similarity index 99%
rename from Framework/CurveFitting/src/RefinePowderInstrumentParameters3.cpp
rename to Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters3.cpp
index b2f339bc14ef4a88622e1565a4df50765cee08ee..a5c35c1f331d71bca31643d8fc85b77d7bf7b2fd 100644
--- a/Framework/CurveFitting/src/RefinePowderInstrumentParameters3.cpp
+++ b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters3.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/RefinePowderInstrumentParameters3.h"
+#include "MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/TextAxis.h"
@@ -7,12 +7,14 @@
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
using namespace Mantid::Kernel;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
DECLARE_ALGORITHM(RefinePowderInstrumentParameters3)
@@ -1266,8 +1268,9 @@ void RefinePowderInstrumentParameters3::setFunctionParameterFitSetups(
double upperbound = param.maxvalue;
if (lowerbound >= -DBL_MAX * 0.1 || upperbound <= DBL_MAX * 0.1) {
// If there is a boundary
- BoundaryConstraint *bc = new BoundaryConstraint(
- function.get(), parname, lowerbound, upperbound, false);
+ Constraints::BoundaryConstraint *bc =
+ new Constraints::BoundaryConstraint(
+ function.get(), parname, lowerbound, upperbound, false);
function->addConstraint(bc);
}
} else {
@@ -1428,5 +1431,6 @@ void restoreFunctionParameterValue(
return;
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/SplineBackground.cpp b/Framework/CurveFitting/src/Algorithms/SplineBackground.cpp
similarity index 96%
rename from Framework/CurveFitting/src/SplineBackground.cpp
rename to Framework/CurveFitting/src/Algorithms/SplineBackground.cpp
index d3eddbab62067a8297f96e73f2911bfccfe6eab8..a19fa51061060d39206dd760f8a1d8db453d9fb0 100644
--- a/Framework/CurveFitting/src/SplineBackground.cpp
+++ b/Framework/CurveFitting/src/Algorithms/SplineBackground.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/SplineBackground.h"
+#include "MantidCurveFitting/Algorithms/SplineBackground.h"
#include <gsl/gsl_bspline.h>
#include <gsl/gsl_multifit.h>
#include <gsl/gsl_statistics.h>
@@ -9,6 +9,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
DECLARE_ALGORITHM(SplineBackground)
@@ -65,8 +66,7 @@ void SplineBackground::exec() {
bool isMasked = inWS->hasMaskedBins(spec);
std::vector<int> masked(Y.size());
if (isMasked) {
- for (API::MatrixWorkspace::MaskList::const_iterator it =
- inWS->maskedBins(spec).begin();
+ for (auto it = inWS->maskedBins(spec).begin();
it != inWS->maskedBins(spec).end(); ++it)
masked[it->first] = 1;
n -= static_cast<int>(inWS->maskedBins(spec).size());
@@ -170,5 +170,6 @@ void SplineBackground::exec() {
setProperty("OutputWorkspace", outWS);
}
-} // namespace Algorithm
+} // namespace Algorithms
+} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/SplineInterpolation.cpp b/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
similarity index 98%
rename from Framework/CurveFitting/src/SplineInterpolation.cpp
rename to Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
index 63731d8bd084bc41f9eda55f90669c0b41b494d1..9d1a1bc531c9d0dc3c765ddf3a904e1bf1955a7c 100644
--- a/Framework/CurveFitting/src/SplineInterpolation.cpp
+++ b/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
@@ -2,16 +2,18 @@
#include "MantidAPI/NumericAxis.h"
#include "MantidAPI/Progress.h"
#include "MantidKernel/BoundedValidator.h"
-#include "MantidCurveFitting/SplineInterpolation.h"
+#include "MantidCurveFitting/Algorithms/SplineInterpolation.h"
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(SplineInterpolation)
using namespace API;
using namespace Kernel;
+using Functions::CubicSpline;
//----------------------------------------------------------------------------------------------
/** Constructor
@@ -253,5 +255,6 @@ void SplineInterpolation::calculateSpline(
m_cspline->function1D(yValues, xValues, nData);
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/SplineSmoothing.cpp b/Framework/CurveFitting/src/Algorithms/SplineSmoothing.cpp
similarity index 99%
rename from Framework/CurveFitting/src/SplineSmoothing.cpp
rename to Framework/CurveFitting/src/Algorithms/SplineSmoothing.cpp
index 9cac9523f02913279baf3857de8585df1cf1611f..87fcfb16e36bfd4af6e18a84ed51b9c459f27e3c 100644
--- a/Framework/CurveFitting/src/SplineSmoothing.cpp
+++ b/Framework/CurveFitting/src/Algorithms/SplineSmoothing.cpp
@@ -4,19 +4,20 @@
#include "MantidAPI/TextAxis.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidKernel/BoundedValidator.h"
-#include "MantidCurveFitting/SplineSmoothing.h"
+#include "MantidCurveFitting/Algorithms/SplineSmoothing.h"
#include <algorithm>
namespace Mantid {
namespace CurveFitting {
+namespace Algorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(SplineSmoothing)
using namespace API;
using namespace Kernel;
-
+using Functions::BSpline;
//----------------------------------------------------------------------------------------------
/** Constructor
*/
@@ -370,5 +371,6 @@ void SplineSmoothing::selectSmoothingPoints(
}
}
+} // namespace Algorithms
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/BoundaryConstraint.cpp b/Framework/CurveFitting/src/Constraints/BoundaryConstraint.cpp
similarity index 98%
rename from Framework/CurveFitting/src/BoundaryConstraint.cpp
rename to Framework/CurveFitting/src/Constraints/BoundaryConstraint.cpp
index 6ecbe020e781f48f2adbc63862c2ddb45fd067e5..86f3f52be2a7fe4549198c0a4926b5a0c3d1074a 100644
--- a/Framework/CurveFitting/src/BoundaryConstraint.cpp
+++ b/Framework/CurveFitting/src/Constraints/BoundaryConstraint.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidAPI/Expression.h"
#include "MantidAPI/ConstraintFactory.h"
#include "MantidKernel/Logger.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace Constraints {
namespace {
/// static logger
Kernel::Logger g_log("BoundaryConstraint");
@@ -247,5 +248,6 @@ std::string BoundaryConstraint::asString() const {
return ostr.str();
}
+} // namespace Constraints
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CostFuncFitting.cpp b/Framework/CurveFitting/src/CostFunctions/CostFuncFitting.cpp
similarity index 98%
rename from Framework/CurveFitting/src/CostFuncFitting.cpp
rename to Framework/CurveFitting/src/CostFunctions/CostFuncFitting.cpp
index 425bdcce324e7fcf858aa95d24c5aa0bd21f2b8f..021e2ed4db9b86a3b5f85a87cd5350288186c49d 100644
--- a/Framework/CurveFitting/src/CostFuncFitting.cpp
+++ b/Framework/CurveFitting/src/CostFunctions/CostFuncFitting.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncFitting.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
#include "MantidCurveFitting/GSLJacobian.h"
#include "MantidAPI/IConstraint.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
/**
* Constructor.
@@ -202,5 +203,6 @@ void CostFuncFitting::calTransformationMatrixNumerically(GSLMatrix &tm) {
}
}
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CostFuncIgnorePosPeaks.cpp b/Framework/CurveFitting/src/CostFunctions/CostFuncIgnorePosPeaks.cpp
similarity index 95%
rename from Framework/CurveFitting/src/CostFuncIgnorePosPeaks.cpp
rename to Framework/CurveFitting/src/CostFunctions/CostFuncIgnorePosPeaks.cpp
index 6e6b404b1b2fd4fb680e0cf6c92e0babd2f2617f..8f5d5ecbb2e835d9b04494c915715a60ba097158 100644
--- a/Framework/CurveFitting/src/CostFuncIgnorePosPeaks.cpp
+++ b/Framework/CurveFitting/src/CostFunctions/CostFuncIgnorePosPeaks.cpp
@@ -1,13 +1,14 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncIgnorePosPeaks.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncIgnorePosPeaks.h"
#include "MantidKernel/PhysicalConstants.h"
#include <cmath>
#include <gsl/gsl_sf_erf.h>
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
DECLARE_COSTFUNCTION(CostFuncIgnorePosPeaks, Ignore positive peaks)
@@ -73,5 +74,6 @@ void CostFuncIgnorePosPeaks::deriv(const double *yData,
}
}
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CostFuncLeastSquares.cpp b/Framework/CurveFitting/src/CostFunctions/CostFuncLeastSquares.cpp
similarity index 98%
rename from Framework/CurveFitting/src/CostFuncLeastSquares.cpp
rename to Framework/CurveFitting/src/CostFunctions/CostFuncLeastSquares.cpp
index f0ada5744ed566b685c54fcba4fd7d3decfcb637..025968c21b954c5bac4f0754a974669bcc9f462e 100644
--- a/Framework/CurveFitting/src/CostFuncLeastSquares.cpp
+++ b/Framework/CurveFitting/src/CostFunctions/CostFuncLeastSquares.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidCurveFitting/SeqDomain.h"
#include "MantidAPI/IConstraint.h"
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
namespace {
/// static logger
Kernel::Logger g_log("CostFuncLeastSquares");
@@ -436,5 +437,6 @@ void CostFuncLeastSquares::calActiveCovarianceMatrix(GSLMatrix &covar,
}
}
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CostFuncRwp.cpp b/Framework/CurveFitting/src/CostFunctions/CostFuncRwp.cpp
similarity index 94%
rename from Framework/CurveFitting/src/CostFuncRwp.cpp
rename to Framework/CurveFitting/src/CostFunctions/CostFuncRwp.cpp
index 0bd327fd7ea90312d76e38fc29e53f60dc16b137..17e783d9f7e438c9366c6d3fc3ffe700703e3872 100644
--- a/Framework/CurveFitting/src/CostFuncRwp.cpp
+++ b/Framework/CurveFitting/src/CostFunctions/CostFuncRwp.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CostFuncRwp.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncRwp.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidCurveFitting/SeqDomain.h"
#include "MantidAPI/IConstraint.h"
@@ -12,6 +12,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
DECLARE_COSTFUNCTION(CostFuncRwp, Rwp)
@@ -63,5 +64,6 @@ double CostFuncRwp::calSqrtW(API::FunctionValues_sptr values) const {
return sqrt(weight);
}
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CostFuncUnweightedLeastSquares.cpp b/Framework/CurveFitting/src/CostFunctions/CostFuncUnweightedLeastSquares.cpp
similarity index 95%
rename from Framework/CurveFitting/src/CostFuncUnweightedLeastSquares.cpp
rename to Framework/CurveFitting/src/CostFunctions/CostFuncUnweightedLeastSquares.cpp
index 278e5c6b9bd3421817651ed8d8565c14bece862a..c7eadd62b70a84e434abd1ab4eacc719f584a558 100644
--- a/Framework/CurveFitting/src/CostFuncUnweightedLeastSquares.cpp
+++ b/Framework/CurveFitting/src/CostFunctions/CostFuncUnweightedLeastSquares.cpp
@@ -1,10 +1,11 @@
-#include "MantidCurveFitting/CostFuncUnweightedLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h"
#include "MantidKernel/Logger.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace CostFunctions {
namespace {
/// static logger
@@ -79,5 +80,6 @@ double CostFuncUnweightedLeastSquares::getResidualVariance() const {
return residualVariance;
}
+} // namespace CostFunctions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FitMW.cpp b/Framework/CurveFitting/src/FitMW.cpp
index d98e9dc7f3719d3111503175281cd3cd0d12242a..730110936f4ad63ae1821bdd9fe2d7c4e1cd6d15 100644
--- a/Framework/CurveFitting/src/FitMW.cpp
+++ b/Framework/CurveFitting/src/FitMW.cpp
@@ -2,7 +2,7 @@
//----------------------------------------------------------------------
#include "MantidCurveFitting/FitMW.h"
#include "MantidCurveFitting/SeqDomain.h"
-#include "MantidCurveFitting/Convolution.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
#include "MantidCurveFitting/ParameterEstimator.h"
#include "MantidAPI/CompositeFunction.h"
@@ -449,7 +449,7 @@ void FitMW::appendCompositeFunctionMembers(
// if function is a Convolution then output of convolved model's mebers may be
// required
if (m_convolutionCompositeMembers &&
- boost::dynamic_pointer_cast<CurveFitting::Convolution>(function)) {
+ boost::dynamic_pointer_cast<Functions::Convolution>(function)) {
appendConvolvedCompositeFunctionMembers(functionList, function);
} else {
const auto compositeFn =
@@ -486,8 +486,8 @@ void FitMW::appendCompositeFunctionMembers(
void FitMW::appendConvolvedCompositeFunctionMembers(
std::list<API::IFunction_sptr> &functionList,
const API::IFunction_sptr &function) const {
- boost::shared_ptr<CurveFitting::Convolution> convolution =
- boost::dynamic_pointer_cast<CurveFitting::Convolution>(function);
+ boost::shared_ptr<Functions::Convolution> convolution =
+ boost::dynamic_pointer_cast<Functions::Convolution>(function);
const auto compositeFn = boost::dynamic_pointer_cast<API::CompositeFunction>(
convolution->getFunction(1));
@@ -498,8 +498,8 @@ void FitMW::appendConvolvedCompositeFunctionMembers(
const size_t nlocals = compositeFn->nFunctions();
for (size_t i = 0; i < nlocals; ++i) {
auto localFunction = compositeFn->getFunction(i);
- boost::shared_ptr<CurveFitting::Convolution> localConvolution =
- boost::make_shared<CurveFitting::Convolution>();
+ boost::shared_ptr<Functions::Convolution> localConvolution =
+ boost::make_shared<Functions::Convolution>();
localConvolution->addFunction(resolution);
localConvolution->addFunction(localFunction);
functionList.insert(functionList.end(), localConvolution);
diff --git a/Framework/CurveFitting/src/BFGS_Minimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/BFGS_Minimizer.cpp
similarity index 85%
rename from Framework/CurveFitting/src/BFGS_Minimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/BFGS_Minimizer.cpp
index 8feb486fce889ac7784d01cbfe6a74a1032e0499..40b817c1028cc4f3d818e529859f37a7352fd00d 100644
--- a/Framework/CurveFitting/src/BFGS_Minimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/BFGS_Minimizer.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BFGS_Minimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
namespace {
/// static logger object
Kernel::Logger g_log("BFGS_Minimizer");
@@ -23,5 +24,6 @@ const gsl_multimin_fdfminimizer_type *BFGS_Minimizer::getGSLMinimizerType() {
return gsl_multimin_fdfminimizer_vector_bfgs2;
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DampingMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/DampingMinimizer.cpp
similarity index 91%
rename from Framework/CurveFitting/src/DampingMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/DampingMinimizer.cpp
index 01e3169ebba8d9a0d3587a6d30143796d1de82f0..08114e04a546b699b4f359ba826924cf850a1917 100644
--- a/Framework/CurveFitting/src/DampingMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/DampingMinimizer.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DampingMinimizer.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/DampingMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -17,6 +17,8 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
+
namespace {
/// static logger
Kernel::Logger g_log("DampingMinimizer");
@@ -32,7 +34,9 @@ DampingMinimizer::DampingMinimizer(double relTol)
/// Initialize minimizer, i.e. pass a function to minimize.
void DampingMinimizer::initialize(API::ICostFunction_sptr function, size_t) {
- m_leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(function);
+ m_leastSquares =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncLeastSquares>(
+ function);
if (!m_leastSquares) {
throw std::invalid_argument("Damping minimizer works only with least "
"squares. Different function was given.");
@@ -121,5 +125,6 @@ double DampingMinimizer::costFunctionVal() {
return m_leastSquares->val();
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DerivMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/DerivMinimizer.cpp
similarity index 88%
rename from Framework/CurveFitting/src/DerivMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/DerivMinimizer.cpp
index 57cbc5a122fcbce37b30629977b8cc9c6dcc0dc0..5f54e75d6d7bea7407b1156cb3d8d035f05e59e1 100644
--- a/Framework/CurveFitting/src/DerivMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/DerivMinimizer.cpp
@@ -1,11 +1,12 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DerivMinimizer.h"
-#include "MantidCurveFitting/CostFuncFitting.h"
+#include "MantidCurveFitting/FuncMinimizers/DerivMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
/** Used by the GSL to calculate the cost function.
* @param x :: Vector with parameters
@@ -17,8 +18,9 @@ double DerivMinimizer::fun(const gsl_vector *x, void *params) {
for (size_t i = 0; i < n; ++i) {
minimizer.m_costFunction->setParameter(i, gsl_vector_get(x, i));
}
- boost::shared_ptr<CostFuncFitting> fitting =
- boost::dynamic_pointer_cast<CostFuncFitting>(minimizer.m_costFunction);
+ boost::shared_ptr<CostFunctions::CostFuncFitting> fitting =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
+ minimizer.m_costFunction);
if (fitting) {
fitting->getFittingFunction()->applyTies();
}
@@ -36,8 +38,9 @@ void DerivMinimizer::dfun(const gsl_vector *x, void *params, gsl_vector *g) {
for (size_t i = 0; i < n; ++i) {
minimizer.m_costFunction->setParameter(i, gsl_vector_get(x, i));
}
- boost::shared_ptr<CostFuncFitting> fitting =
- boost::dynamic_pointer_cast<CostFuncFitting>(minimizer.m_costFunction);
+ boost::shared_ptr<CostFunctions::CostFuncFitting> fitting =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
+ minimizer.m_costFunction);
if (fitting) {
fitting->getFittingFunction()->applyTies();
}
@@ -61,8 +64,9 @@ void DerivMinimizer::fundfun(const gsl_vector *x, void *params, double *f,
for (size_t i = 0; i < n; ++i) {
minimizer.m_costFunction->setParameter(i, gsl_vector_get(x, i));
}
- boost::shared_ptr<CostFuncFitting> fitting =
- boost::dynamic_pointer_cast<CostFuncFitting>(minimizer.m_costFunction);
+ boost::shared_ptr<CostFunctions::CostFuncFitting> fitting =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
+ minimizer.m_costFunction);
if (fitting) {
fitting->getFittingFunction()->applyTies();
}
@@ -173,5 +177,6 @@ void DerivMinimizer::setStopGradient(const double value) {
double DerivMinimizer::costFunctionVal() { return m_gslSolver->f; }
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FABADAMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/FABADAMinimizer.cpp
similarity index 97%
rename from Framework/CurveFitting/src/FABADAMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/FABADAMinimizer.cpp
index f6c47ccff74677882e6f1b74ca874124be32baa0..fcdedf14c5017e8603999ccc7f97b1b8076febef 100644
--- a/Framework/CurveFitting/src/FABADAMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/FABADAMinimizer.cpp
@@ -1,6 +1,6 @@
-#include "MantidCurveFitting/FABADAMinimizer.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting//Constraints/BoundaryConstraint.h"
#include <stdio.h>
#include <stdlib.h>
@@ -30,6 +30,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
namespace {
// static logger object
@@ -91,7 +92,9 @@ FABADAMinimizer::~FABADAMinimizer() {}
void FABADAMinimizer::initialize(API::ICostFunction_sptr function,
size_t maxIterations) {
- m_leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(function);
+ m_leastSquares =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncLeastSquares>(
+ function);
if (!m_leastSquares) {
throw std::invalid_argument(
"FABADA works only with least squares. Different function was given.");
@@ -120,7 +123,8 @@ void FABADAMinimizer::initialize(API::ICostFunction_sptr function,
m_bound.push_back(false);
API::IConstraint *iconstr = fun->getConstraint(i);
if (iconstr) {
- BoundaryConstraint *bcon = dynamic_cast<BoundaryConstraint *>(iconstr);
+ Constraints::BoundaryConstraint *bcon =
+ dynamic_cast<Constraints::BoundaryConstraint *>(iconstr);
if (bcon) {
m_bound[i] = true;
if (bcon->hasLower()) {
@@ -640,5 +644,6 @@ void FABADAMinimizer::finalize() {
}
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FRConjugateGradientMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/FRConjugateGradientMinimizer.cpp
similarity index 86%
rename from Framework/CurveFitting/src/FRConjugateGradientMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/FRConjugateGradientMinimizer.cpp
index a06a974c52ff6db48b0532bf76cab1c32bb2fd2e..d609f35a7cf2132a0a4c5b2aa81388d8cefb17d5 100644
--- a/Framework/CurveFitting/src/FRConjugateGradientMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/FRConjugateGradientMinimizer.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/FRConjugateGradientMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
namespace {
/// static logger
Kernel::Logger g_log("FRConjugateGradientMinimizer");
@@ -28,5 +29,6 @@ FRConjugateGradientMinimizer::getGSLMinimizerType() {
return gsl_multimin_fdfminimizer_conjugate_fr;
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LevenbergMarquardtMDMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMDMinimizer.cpp
similarity index 96%
rename from Framework/CurveFitting/src/LevenbergMarquardtMDMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMDMinimizer.cpp
index 78c90dca7c807df0c1c6f18caedc0d2817164fa1..74fe28e69cdf447d7ba99f833fca8083f359adb5 100644
--- a/Framework/CurveFitting/src/LevenbergMarquardtMDMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMDMinimizer.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -16,6 +16,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
namespace {
/// static logger object
Kernel::Logger g_log("LevenbergMarquardMD");
@@ -39,7 +40,9 @@ LevenbergMarquardtMDMinimizer::LevenbergMarquardtMDMinimizer()
/// Initialize minimizer, i.e. pass a function to minimize.
void LevenbergMarquardtMDMinimizer::initialize(API::ICostFunction_sptr function,
size_t) {
- m_leastSquares = boost::dynamic_pointer_cast<CostFuncLeastSquares>(function);
+ m_leastSquares =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncLeastSquares>(
+ function);
if (!m_leastSquares) {
throw std::invalid_argument("Levenberg-Marquardt minimizer works only with "
"least squares. Different function was given.");
@@ -286,5 +289,6 @@ double LevenbergMarquardtMDMinimizer::costFunctionVal() {
return m_leastSquares->val();
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LevenbergMarquardtMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMinimizer.cpp
similarity index 93%
rename from Framework/CurveFitting/src/LevenbergMarquardtMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMinimizer.cpp
index 19bfbdc7c06d05379ce612f5cc73f35144e46564..df84cfc9f62124e1817e6b462e96fb64a59a7842 100644
--- a/Framework/CurveFitting/src/LevenbergMarquardtMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/LevenbergMarquardtMinimizer.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/LevenbergMarquardtMinimizer.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -16,6 +16,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
namespace {
// Get a reference to the logger
Kernel::Logger g_log("LevenbergMarquardtMinimizer");
@@ -40,7 +41,8 @@ void LevenbergMarquardtMinimizer::initialize(
API::ICostFunction_sptr costFunction, size_t) {
// set-up GSL container to be used with GSL simplex algorithm
auto leastSquares =
- boost::dynamic_pointer_cast<CostFuncLeastSquares>(costFunction);
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncLeastSquares>(
+ costFunction);
if (leastSquares) {
m_data = new GSL_FitData(leastSquares);
} else {
@@ -140,5 +142,6 @@ void LevenbergMarquardtMinimizer::calCovarianceMatrix(double epsrel,
gsl_multifit_covar(m_gslSolver->J, epsrel, covar);
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PRConjugateGradientMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/PRConjugateGradientMinimizer.cpp
similarity index 85%
rename from Framework/CurveFitting/src/PRConjugateGradientMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/PRConjugateGradientMinimizer.cpp
index ae9d3adaa6fb0e7841e23f563c88b6027a88685a..e208d427551e7e3ce76b176607ea017300396127 100644
--- a/Framework/CurveFitting/src/PRConjugateGradientMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/PRConjugateGradientMinimizer.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/PRConjugateGradientMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -10,6 +10,7 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
// clang-format off
///@cond nodoc
@@ -24,5 +25,6 @@ PRConjugateGradientMinimizer::getGSLMinimizerType() {
return gsl_multimin_fdfminimizer_conjugate_pr;
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FuncMinimizers/SimplexMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/SimplexMinimizer.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..e9399ae13f134ee944285d188a5e406dc5698645
--- /dev/null
+++ b/Framework/CurveFitting/src/FuncMinimizers/SimplexMinimizer.cpp
@@ -0,0 +1,124 @@
+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncFitting.h"
+
+#include "MantidAPI/FuncMinimizerFactory.h"
+
+#include "MantidKernel/Logger.h"
+
+namespace Mantid {
+namespace CurveFitting {
+namespace FuncMinimisers {
+namespace {
+/// static logger
+Kernel::Logger g_log("SimplexMinimizer");
+}
+
+DECLARE_FUNCMINIMIZER(SimplexMinimizer, Simplex)
+
+/** Calculating cost function
+*
+* @param x :: Input function arguments
+* @param params :: Pointer to a SimplexMinimizer
+* @return Value of the cost function
+*/
+double SimplexMinimizer::fun(const gsl_vector *x, void *params) {
+ SimplexMinimizer &minimizer = *static_cast<SimplexMinimizer *>(params);
+ // update function parameters
+ if (x->data) {
+ for (size_t i = 0; i < minimizer.m_costFunction->nParams(); ++i) {
+ minimizer.m_costFunction->setParameter(i, gsl_vector_get(x, i));
+ }
+ }
+ boost::shared_ptr<CostFunctions::CostFuncFitting> fitting =
+ boost::dynamic_pointer_cast<CostFunctions::CostFuncFitting>(
+ minimizer.m_costFunction);
+ if (fitting) {
+ fitting->getFittingFunction()->applyTies();
+ }
+ return minimizer.m_costFunction->val();
+}
+
+SimplexMinimizer::SimplexMinimizer(const double epsabs)
+ : m_epsabs(epsabs), m_costFunction(), m_size(1.0), m_simplexStepSize(NULL),
+ m_startGuess(NULL), m_gslSolver(NULL) {
+ gslContainer.f = NULL;
+ gslContainer.n = -1;
+ gslContainer.params = NULL;
+}
+
+void SimplexMinimizer::initialize(API::ICostFunction_sptr function, size_t) {
+ m_costFunction = function;
+
+ const gsl_multimin_fminimizer_type *T = gsl_multimin_fminimizer_nmsimplex;
+
+ size_t np = function->nParams();
+ // step size for simplex
+ m_simplexStepSize = gsl_vector_alloc(np);
+ gsl_vector_set_all(m_simplexStepSize, m_size);
+
+ // setup simplex container
+ gslContainer.n = np;
+ gslContainer.f = &fun;
+ gslContainer.params = this;
+
+ // fill in parameter values
+ m_startGuess = gsl_vector_alloc(np);
+ for (size_t i = 0; i < np; ++i) {
+ gsl_vector_set(m_startGuess, i, function->getParameter(i));
+ }
+
+ // setup minimizer
+ m_gslSolver = gsl_multimin_fminimizer_alloc(T, np);
+ gsl_multimin_fminimizer_set(m_gslSolver, &gslContainer, m_startGuess,
+ m_simplexStepSize);
+}
+
+/**
+ * Do one iteration.
+ * @return :: true if iterations to be continued, false if they can stop
+ */
+bool SimplexMinimizer::iterate(size_t) {
+ int status = gsl_multimin_fminimizer_iterate(m_gslSolver);
+ if (status) {
+ m_errorString = gsl_strerror(status);
+ return false;
+ }
+ double size = gsl_multimin_fminimizer_size(m_gslSolver);
+ status = gsl_multimin_test_size(size, m_epsabs);
+ if (status != GSL_CONTINUE) {
+ m_errorString = gsl_strerror(status);
+ return false;
+ }
+ return true;
+}
+
+/// resets the size
+void SimplexMinimizer::resetSize(const double &size) {
+ m_size = size;
+ clearMemory();
+ initialize(m_costFunction);
+}
+
+SimplexMinimizer::~SimplexMinimizer() { clearMemory(); }
+
+/// clear memory
+void SimplexMinimizer::clearMemory() {
+ if (m_simplexStepSize) {
+ gsl_vector_free(m_simplexStepSize);
+ }
+ if (m_startGuess) {
+ gsl_vector_free(m_startGuess);
+ }
+ if (m_gslSolver) {
+ gsl_multimin_fminimizer_free(m_gslSolver);
+ }
+}
+
+double SimplexMinimizer::costFunctionVal() { return m_gslSolver->fval; }
+
+} // namespace FuncMinimisers
+} // namespace CurveFitting
+} // namespace Mantid
diff --git a/Framework/CurveFitting/src/SteepestDescentMinimizer.cpp b/Framework/CurveFitting/src/FuncMinimizers/SteepestDescentMinimizer.cpp
similarity index 85%
rename from Framework/CurveFitting/src/SteepestDescentMinimizer.cpp
rename to Framework/CurveFitting/src/FuncMinimizers/SteepestDescentMinimizer.cpp
index be4c4380ab191ba7a3db2150ca0a14c39a179e1b..810d63841a68ab2b02ff4f0630cbcc574bfb259d 100644
--- a/Framework/CurveFitting/src/SteepestDescentMinimizer.cpp
+++ b/Framework/CurveFitting/src/FuncMinimizers/SteepestDescentMinimizer.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/SteepestDescentMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/SteepestDescentMinimizer.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -10,6 +10,8 @@
namespace Mantid {
namespace CurveFitting {
+namespace FuncMinimisers {
+
namespace {
// Get a reference to the logger
Kernel::Logger g_log("SteepestDescentMinimizer");
@@ -24,5 +26,6 @@ SteepestDescentMinimizer::getGSLMinimizerType() {
return gsl_multimin_fdfminimizer_steepest_descent;
}
+} // namespace FuncMinimisers
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Abragam.cpp b/Framework/CurveFitting/src/Functions/Abragam.cpp
similarity index 93%
rename from Framework/CurveFitting/src/Abragam.cpp
rename to Framework/CurveFitting/src/Functions/Abragam.cpp
index cd24227e3143a73979c2fca010074c8d4ea831dc..40ff74e9b61da1d1896de518896c4d6c8f5cf25a 100644
--- a/Framework/CurveFitting/src/Abragam.cpp
+++ b/Framework/CurveFitting/src/Functions/Abragam.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Abragam.h"
+#include "MantidCurveFitting/Functions/Abragam.h"
#include "MantidAPI//FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Abragam)
@@ -61,5 +65,6 @@ void Abragam::setActiveParameter(size_t i, double value) {
setParameter(j, value, false);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/BSpline.cpp b/Framework/CurveFitting/src/Functions/BSpline.cpp
similarity index 98%
rename from Framework/CurveFitting/src/BSpline.cpp
rename to Framework/CurveFitting/src/Functions/BSpline.cpp
index 787672bc570ab733dbe80a12c44a3384c6b0468a..670a7c8614abc0934bf5e909fe48b46bdcc26b4e 100644
--- a/Framework/CurveFitting/src/BSpline.cpp
+++ b/Framework/CurveFitting/src/Functions/BSpline.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BSpline.h"
+#include "MantidCurveFitting/Functions/BSpline.h"
#include "MantidCurveFitting/GSLVector.h"
#include "MantidCurveFitting/GSLMatrix.h"
#include "MantidAPI/FunctionFactory.h"
@@ -10,7 +10,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(BSpline)
@@ -250,5 +255,6 @@ void BSpline::getGSLBreakPoints(std::vector<double> &bp) const {
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/BackToBackExponential.cpp b/Framework/CurveFitting/src/Functions/BackToBackExponential.cpp
similarity index 96%
rename from Framework/CurveFitting/src/BackToBackExponential.cpp
rename to Framework/CurveFitting/src/Functions/BackToBackExponential.cpp
index 0c623c678de5444a75316e156d2abd584412dbf5..64a5d5aae6a6237bd4a293c78107fc7e4e7c5363 100644
--- a/Framework/CurveFitting/src/BackToBackExponential.cpp
+++ b/Framework/CurveFitting/src/Functions/BackToBackExponential.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackToBackExponential.h"
+#include "MantidCurveFitting/Functions/BackToBackExponential.h"
#include "MantidAPI/FunctionFactory.h"
#include <gsl/gsl_sf_erf.h>
@@ -12,8 +12,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(BackToBackExponential)
@@ -144,5 +148,6 @@ double BackToBackExponential::expWidth() const {
return M_LN2 * (a + b) / (a * b);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/BackgroundFunction.cpp b/Framework/CurveFitting/src/Functions/BackgroundFunction.cpp
similarity index 78%
rename from Framework/CurveFitting/src/BackgroundFunction.cpp
rename to Framework/CurveFitting/src/Functions/BackgroundFunction.cpp
index a7d79bd6fe4109e9f58967b399e725ff16f25302..1b243cda6edc5f52619fe15152aab68edb443053 100644
--- a/Framework/CurveFitting/src/BackgroundFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/BackgroundFunction.cpp
@@ -1,12 +1,16 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/BackgroundFunction.h"
+#include "MantidCurveFitting/Functions/BackgroundFunction.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
void BackgroundFunction::fit(const std::vector<double> &X,
@@ -15,5 +19,6 @@ void BackgroundFunction::fit(const std::vector<double> &X,
(void)Y; // Avoid compiler warning
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/BivariateNormal.cpp b/Framework/CurveFitting/src/Functions/BivariateNormal.cpp
similarity index 98%
rename from Framework/CurveFitting/src/BivariateNormal.cpp
rename to Framework/CurveFitting/src/Functions/BivariateNormal.cpp
index d48ab8555eaea9ff6adf1d9cd15e72e9d496f628..59918f5e1e5e65171378450762c01892f3c9d5f4 100644
--- a/Framework/CurveFitting/src/BivariateNormal.cpp
+++ b/Framework/CurveFitting/src/Functions/BivariateNormal.cpp
@@ -1,5 +1,5 @@
-#include "MantidCurveFitting/BivariateNormal.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/BivariateNormal.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidKernel/PhysicalConstants.h"
#include "MantidAPI/ParameterTie.h"
@@ -17,6 +17,10 @@ using namespace Mantid::API;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace Constraints;
namespace {
/// static logger
@@ -679,5 +683,6 @@ double BivariateNormal::initCoeff(const MantidVec &D, const MantidVec &X,
return penalty;
}
+} // namespace Functions
} // namespace curveFitting
} // namespaceMantid
diff --git a/Framework/CurveFitting/src/Bk2BkExpConvPV.cpp b/Framework/CurveFitting/src/Functions/Bk2BkExpConvPV.cpp
similarity index 98%
rename from Framework/CurveFitting/src/Bk2BkExpConvPV.cpp
rename to Framework/CurveFitting/src/Functions/Bk2BkExpConvPV.cpp
index 7052c100cf82ebd824ef254c3b1495f466d269af..d3f4fcb35aae249b2971879a6f362d0066251462 100644
--- a/Framework/CurveFitting/src/Bk2BkExpConvPV.cpp
+++ b/Framework/CurveFitting/src/Functions/Bk2BkExpConvPV.cpp
@@ -1,18 +1,22 @@
#include <cmath>
-#include "MantidCurveFitting/Bk2BkExpConvPV.h"
+#include "MantidCurveFitting/Functions/Bk2BkExpConvPV.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
#include <gsl/gsl_sf_erf.h>
using namespace Mantid::Kernel;
+
using namespace Mantid::API;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
namespace {
/// static logger
Kernel::Logger g_log("Bk2BkExpConvPV");
@@ -250,4 +254,5 @@ void Bk2BkExpConvPV::calHandEta(double sigma2, double gamma, double &H,
}
} // namespace Mantid
+} // namespace Functions
} // namespace CurveFitting
diff --git a/Framework/CurveFitting/src/ChebfunBase.cpp b/Framework/CurveFitting/src/Functions/ChebfunBase.cpp
similarity index 99%
rename from Framework/CurveFitting/src/ChebfunBase.cpp
rename to Framework/CurveFitting/src/Functions/ChebfunBase.cpp
index 3a1844b95636baf0adf96fa6b8e88bec092e97a4..4f25c57ba462bd4071272fba1c2ba8f17684dc99 100644
--- a/Framework/CurveFitting/src/ChebfunBase.cpp
+++ b/Framework/CurveFitting/src/Functions/ChebfunBase.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ChebfunBase.h"
+#include "MantidCurveFitting/Functions/ChebfunBase.h"
#include "MantidAPI/IFunction1D.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -19,6 +19,9 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
// Set the comparison tolerance.
const double ChebfunBase::g_tolerance = 1e-15;
@@ -297,6 +300,7 @@ ChebfunBase::evalVector(const std::vector<double> &x,
*/
void ChebfunBase::derivative(const std::vector<double> &a,
std::vector<double> &aout) const {
+
using namespace std::placeholders;
if (a.size() != m_x.size()) {
throw std::invalid_argument(
@@ -331,6 +335,7 @@ void ChebfunBase::derivative(const std::vector<double> &a,
*/
ChebfunBase_sptr ChebfunBase::integral(const std::vector<double> &a,
std::vector<double> &aout) const {
+
using namespace std::placeholders;
if (a.size() != m_x.size()) {
throw std::invalid_argument(
@@ -926,5 +931,6 @@ ChebfunBase::smooth(const std::vector<double> &xvalues,
return y;
}
+} // Functions
} // CurveFitting
} // Mantid
diff --git a/Framework/CurveFitting/src/Chebyshev.cpp b/Framework/CurveFitting/src/Functions/Chebyshev.cpp
similarity index 95%
rename from Framework/CurveFitting/src/Chebyshev.cpp
rename to Framework/CurveFitting/src/Functions/Chebyshev.cpp
index 7da4e1d0b8837453722a2f6952a7becc1c442e98..9395ced590de45f8a22db3d0d092e5b816334a0f 100644
--- a/Framework/CurveFitting/src/Chebyshev.cpp
+++ b/Framework/CurveFitting/src/Functions/Chebyshev.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Chebyshev.h"
+#include "MantidCurveFitting/Functions/Chebyshev.h"
#include "MantidAPI/FunctionFactory.h"
#include <boost/lexical_cast.hpp>
@@ -9,8 +9,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Chebyshev)
@@ -99,5 +103,6 @@ void Chebyshev::setAttribute(const std::string &attName,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ComptonPeakProfile.cpp b/Framework/CurveFitting/src/Functions/ComptonPeakProfile.cpp
similarity index 96%
rename from Framework/CurveFitting/src/ComptonPeakProfile.cpp
rename to Framework/CurveFitting/src/Functions/ComptonPeakProfile.cpp
index 89aaaab815f4d755a8cf390ded7d15b7c16083cd..c10c9bf5a8906fc1f6c2e66630ab2079cee8bb44 100644
--- a/Framework/CurveFitting/src/ComptonPeakProfile.cpp
+++ b/Framework/CurveFitting/src/Functions/ComptonPeakProfile.cpp
@@ -1,14 +1,17 @@
//-----------------------------------------------------------------------------
// Includes
//-----------------------------------------------------------------------------
-#include "MantidCurveFitting/ComptonPeakProfile.h"
-#include "MantidCurveFitting/ConvertToYSpace.h"
+#include "MantidCurveFitting/Functions/ComptonPeakProfile.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting::Algorithms;
DECLARE_FUNCTION(ComptonPeakProfile)
@@ -82,6 +85,7 @@ void ComptonPeakProfile::function1D(double *out, const double *xValues,
*/
void ComptonPeakProfile::setUpForFit() {
// Voigt & Gaussian
+
using namespace Mantid::API;
m_gauss = boost::dynamic_pointer_cast<IPeakFunction>(
FunctionFactory::Instance().createFunction("Gaussian"));
@@ -165,5 +169,6 @@ void ComptonPeakProfile::setAttribute(const std::string &name,
m_voigtCutOff = value.asDouble();
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ComptonProfile.cpp b/Framework/CurveFitting/src/Functions/ComptonProfile.cpp
similarity index 94%
rename from Framework/CurveFitting/src/ComptonProfile.cpp
rename to Framework/CurveFitting/src/Functions/ComptonProfile.cpp
index b7d2ede6cb7e7a10737f3f58823e84be996deceb..f93325fcd70707d6667bbe5d1e0bfab7c89e5a2c 100644
--- a/Framework/CurveFitting/src/ComptonProfile.cpp
+++ b/Framework/CurveFitting/src/Functions/ComptonProfile.cpp
@@ -1,13 +1,17 @@
//-----------------------------------------------------------------------------
// Includes
//-----------------------------------------------------------------------------
-#include "MantidCurveFitting/ComptonProfile.h"
-#include "MantidCurveFitting/ConvertToYSpace.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
#include "MantidAPI/FunctionFactory.h"
#include <gsl/gsl_poly.h>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace CurveFitting::Algorithms;
namespace {
///@cond
@@ -24,6 +28,7 @@ ComptonProfile::ComptonProfile()
: API::ParamFunction(), API::IFunction1D(), m_log("ComptonProfile"),
m_wsIndex(0), m_mass(0.0), m_voigt(), m_resolutionFunction(), m_yspace(),
m_modQ(), m_e0() {
+
using namespace Mantid::API;
m_resolutionFunction = boost::dynamic_pointer_cast<VesuvioResolution>(
FunctionFactory::Instance().createFunction("VesuvioResolution"));
@@ -53,6 +58,7 @@ void ComptonProfile::function1D(double *out, const double *xValues,
* Creates the internal caches
*/
void ComptonProfile::setUpForFit() {
+
using namespace Mantid::API;
m_voigt = boost::dynamic_pointer_cast<IPeakFunction>(
FunctionFactory::Instance().createFunction("Voigt"));
@@ -92,7 +98,7 @@ void ComptonProfile::setMatrixWorkspace(
m_resolutionFunction->setAttributeValue("Mass", m_mass);
m_resolutionFunction->setMatrixWorkspace(workspace, wsIndex, startX, endX);
- DetectorParams detpar =
+ Algorithms::DetectorParams detpar =
ConvertToYSpace::getDetectorParameters(workspace, m_wsIndex);
this->cacheYSpaceValues(workspace->readX(m_wsIndex),
workspace->isHistogramData(), detpar);
@@ -100,7 +106,7 @@ void ComptonProfile::setMatrixWorkspace(
void ComptonProfile::cacheYSpaceValues(const std::vector<double> &tseconds,
const bool isHistogram,
- const DetectorParams &detpar,
+ const Algorithms::DetectorParams &detpar,
const ResolutionParams &respar) {
m_resolutionFunction->cacheResolutionComponents(detpar, respar);
this->cacheYSpaceValues(tseconds, isHistogram, detpar);
@@ -111,9 +117,9 @@ void ComptonProfile::cacheYSpaceValues(const std::vector<double> &tseconds,
* @param isHistogram True if histogram tof values have been passed in
* @param detpar Structure containing detector parameters
*/
-void ComptonProfile::cacheYSpaceValues(const std::vector<double> &tseconds,
- const bool isHistogram,
- const DetectorParams &detpar) {
+void ComptonProfile::cacheYSpaceValues(
+ const std::vector<double> &tseconds, const bool isHistogram,
+ const Algorithms::DetectorParams &detpar) {
// ------ Fixed coefficients related to resolution & Y-space transforms
// ------------------
const double mevToK = PhysicalConstants::E_mev_toNeutronWavenumberSq;
@@ -235,5 +241,6 @@ void ComptonProfile::voigtApproxDiff(std::vector<double> &voigtDiff,
2.0 * std::pow(epsilon, 3))); // divided by (2eps^3)
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ComptonScatteringCountRate.cpp b/Framework/CurveFitting/src/Functions/ComptonScatteringCountRate.cpp
similarity index 99%
rename from Framework/CurveFitting/src/ComptonScatteringCountRate.cpp
rename to Framework/CurveFitting/src/Functions/ComptonScatteringCountRate.cpp
index 67051c8d3166b3db68469c9919495d4f958e1e87..fa9ed893cb00c3a6785ce0b2285aafa9fe457461 100644
--- a/Framework/CurveFitting/src/ComptonScatteringCountRate.cpp
+++ b/Framework/CurveFitting/src/Functions/ComptonScatteringCountRate.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ComptonScatteringCountRate.h"
+#include "MantidCurveFitting/Functions/ComptonScatteringCountRate.h"
#include "MantidCurveFitting/AugmentedLagrangianOptimizer.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
@@ -10,6 +10,9 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using Kernel::Logger;
namespace {
@@ -445,5 +448,6 @@ void ComptonScatteringCountRate::createEqualityCM(const size_t nmasses) {
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Convolution.cpp b/Framework/CurveFitting/src/Functions/Convolution.cpp
similarity index 98%
rename from Framework/CurveFitting/src/Convolution.cpp
rename to Framework/CurveFitting/src/Functions/Convolution.cpp
index db1f62ad49f2d0a9f2f960e59b4b507e5f3e0472..00ed29d4c139058504875f9b573db92e8002d028 100644
--- a/Framework/CurveFitting/src/Convolution.cpp
+++ b/Framework/CurveFitting/src/Functions/Convolution.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Convolution.h"
-#include "MantidCurveFitting/DeltaFunction.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
+#include "MantidCurveFitting/Functions/DeltaFunction.h"
#include "MantidAPI/IFunction1D.h"
#include "MantidAPI/FunctionFactory.h"
@@ -20,8 +20,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Convolution)
@@ -297,5 +301,6 @@ void Convolution::refreshResolution() const {
m_resolution.clear();
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/CubicSpline.cpp b/Framework/CurveFitting/src/Functions/CubicSpline.cpp
similarity index 98%
rename from Framework/CurveFitting/src/CubicSpline.cpp
rename to Framework/CurveFitting/src/Functions/CubicSpline.cpp
index b955d04215d02d904e00193dfd0cddfeba7079f4..d13cb126fdd0971edc5a8a2b9f08aa8b925b32c5 100644
--- a/Framework/CurveFitting/src/CubicSpline.cpp
+++ b/Framework/CurveFitting/src/Functions/CubicSpline.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/CubicSpline.h"
+#include "MantidCurveFitting/Functions/CubicSpline.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidKernel/Logger.h"
@@ -12,12 +12,16 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
namespace {
/// static logger
Kernel::Logger g_log("CubicSpline");
}
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(CubicSpline)
@@ -358,5 +362,6 @@ void CubicSpline::reallocGSLObjects(const int n) {
*
*/
CubicSpline::~CubicSpline() {}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DeltaFunction.cpp b/Framework/CurveFitting/src/Functions/DeltaFunction.cpp
similarity index 87%
rename from Framework/CurveFitting/src/DeltaFunction.cpp
rename to Framework/CurveFitting/src/Functions/DeltaFunction.cpp
index 883e0ed542810809d9c777fe98c4c5b15392dcf1..aa26ab1c786ff2f8747568353edd6f4078923b67 100644
--- a/Framework/CurveFitting/src/DeltaFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/DeltaFunction.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DeltaFunction.h"
+#include "MantidCurveFitting/Functions/DeltaFunction.h"
#include "MantidAPI/FunctionFactory.h"
#include <algorithm>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(DeltaFunction)
@@ -32,5 +36,6 @@ void DeltaFunction::functionDeriv1D(Jacobian *out, const double *xValues,
std::runtime_error("Cannot compute derivative of a delta function");
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DiffRotDiscreteCircle.cpp b/Framework/CurveFitting/src/Functions/DiffRotDiscreteCircle.cpp
similarity index 97%
rename from Framework/CurveFitting/src/DiffRotDiscreteCircle.cpp
rename to Framework/CurveFitting/src/Functions/DiffRotDiscreteCircle.cpp
index ceb07007e2621508b37ecb0b0dcc4e22bce68a79..f295573909e3ba7653a4aad0a806f57f97d95496 100644
--- a/Framework/CurveFitting/src/DiffRotDiscreteCircle.cpp
+++ b/Framework/CurveFitting/src/Functions/DiffRotDiscreteCircle.cpp
@@ -1,12 +1,12 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DiffRotDiscreteCircle.h"
+#include "MantidCurveFitting/Functions/DiffRotDiscreteCircle.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/ParameterTie.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidGeometry/IDetector.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/UnitConversion.h"
@@ -20,8 +20,13 @@ Mantid::Kernel::Logger g_log("DiffSphere");
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace Constraints;
using namespace API;
+
using namespace Geometry;
DECLARE_FUNCTION(ElasticDiffRotDiscreteCircle)
@@ -247,5 +252,6 @@ void DiffRotDiscreteCircle::init() {
applyTies();
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DiffSphere.cpp b/Framework/CurveFitting/src/Functions/DiffSphere.cpp
similarity index 98%
rename from Framework/CurveFitting/src/DiffSphere.cpp
rename to Framework/CurveFitting/src/Functions/DiffSphere.cpp
index bf7d4a803090902fc2df9b2c8675326f61196db4..19519493021e0af64a1816b461d1d68332fdbaa8 100644
--- a/Framework/CurveFitting/src/DiffSphere.cpp
+++ b/Framework/CurveFitting/src/Functions/DiffSphere.cpp
@@ -1,12 +1,12 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DiffSphere.h"
+#include "MantidCurveFitting/Functions/DiffSphere.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/ParameterTie.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidGeometry/IDetector.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/UnitConversion.h"
@@ -22,9 +22,15 @@ Mantid::Kernel::Logger g_log("DiffSphere");
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace Constraints;
using namespace API;
+
using namespace Geometry;
+
using namespace Kernel;
DECLARE_FUNCTION(ElasticDiffSphere)
@@ -351,5 +357,6 @@ void DiffSphere::init() {
applyTies();
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/DynamicKuboToyabe.cpp b/Framework/CurveFitting/src/Functions/DynamicKuboToyabe.cpp
similarity index 98%
rename from Framework/CurveFitting/src/DynamicKuboToyabe.cpp
rename to Framework/CurveFitting/src/Functions/DynamicKuboToyabe.cpp
index e62d0ba82c49eb9694c16d02874baf371cb0b1c5..e90d834562d8ce0768ab38f196a97d142b2686e8 100644
--- a/Framework/CurveFitting/src/DynamicKuboToyabe.cpp
+++ b/Framework/CurveFitting/src/Functions/DynamicKuboToyabe.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/DynamicKuboToyabe.h"
+#include "MantidCurveFitting/Functions/DynamicKuboToyabe.h"
#include "MantidAPI/Jacobian.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
@@ -9,8 +9,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(DynamicKuboToyabe)
@@ -375,5 +379,6 @@ bool DynamicKuboToyabe::hasAttribute(const std::string &attName) const {
return attName == "BinWidth";
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/EndErfc.cpp b/Framework/CurveFitting/src/Functions/EndErfc.cpp
similarity index 91%
rename from Framework/CurveFitting/src/EndErfc.cpp
rename to Framework/CurveFitting/src/Functions/EndErfc.cpp
index 7d5de37a67dd28340214068459843a2f09d31b99..ed8101f7d9a15b3a8c392225b17af219009fcc88 100644
--- a/Framework/CurveFitting/src/EndErfc.cpp
+++ b/Framework/CurveFitting/src/Functions/EndErfc.cpp
@@ -1,15 +1,19 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/EndErfc.h"
+#include "MantidCurveFitting/Functions/EndErfc.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
#include <gsl/gsl_sf_erf.h>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(EndErfc)
@@ -51,5 +55,6 @@ void EndErfc::setActiveParameter(size_t i, double value) {
setParameter(j, value, false);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ExpDecay.cpp b/Framework/CurveFitting/src/Functions/ExpDecay.cpp
similarity index 90%
rename from Framework/CurveFitting/src/ExpDecay.cpp
rename to Framework/CurveFitting/src/Functions/ExpDecay.cpp
index c5d92311a04e1c729ccb877ec42cf047f9a2d070..3f26962c469291157c260c23e1c1c15ea63bf4c9 100644
--- a/Framework/CurveFitting/src/ExpDecay.cpp
+++ b/Framework/CurveFitting/src/Functions/ExpDecay.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/ExpDecay.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(ExpDecay)
@@ -41,5 +45,6 @@ void ExpDecay::functionDeriv1D(Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ExpDecayMuon.cpp b/Framework/CurveFitting/src/Functions/ExpDecayMuon.cpp
similarity index 90%
rename from Framework/CurveFitting/src/ExpDecayMuon.cpp
rename to Framework/CurveFitting/src/Functions/ExpDecayMuon.cpp
index 2f0867e8c10b8111da7e4de914c9bcc43a18d802..748b7ed6bae725f0eeb5eb5127f2fa88c28986da 100644
--- a/Framework/CurveFitting/src/ExpDecayMuon.cpp
+++ b/Framework/CurveFitting/src/Functions/ExpDecayMuon.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/ExpDecayMuon.h"
+#include "MantidCurveFitting/Functions/ExpDecayMuon.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(ExpDecayMuon)
@@ -41,5 +45,6 @@ void ExpDecayMuon::functionDeriv1D(Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ExpDecayOsc.cpp b/Framework/CurveFitting/src/Functions/ExpDecayOsc.cpp
similarity index 94%
rename from Framework/CurveFitting/src/ExpDecayOsc.cpp
rename to Framework/CurveFitting/src/Functions/ExpDecayOsc.cpp
index f3d677feee5204237636b8284c4446584b5164e0..53713374e6a8df68779401578a7d827b97810047 100644
--- a/Framework/CurveFitting/src/ExpDecayOsc.cpp
+++ b/Framework/CurveFitting/src/Functions/ExpDecayOsc.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/ExpDecayOsc.h"
+#include "MantidCurveFitting/Functions/ExpDecayOsc.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(ExpDecayOsc)
@@ -68,5 +72,6 @@ void ExpDecayOsc::setActiveParameter(size_t i, double value) {
setParameter(j, value, false);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/FlatBackground.cpp b/Framework/CurveFitting/src/Functions/FlatBackground.cpp
similarity index 92%
rename from Framework/CurveFitting/src/FlatBackground.cpp
rename to Framework/CurveFitting/src/Functions/FlatBackground.cpp
index d1fc5c08ad6a7e1051cf4124ec6cf58256f21a3b..e73d11ecb56b9cefc4505bb0ebcafdd6689f3f31 100644
--- a/Framework/CurveFitting/src/FlatBackground.cpp
+++ b/Framework/CurveFitting/src/Functions/FlatBackground.cpp
@@ -1,12 +1,16 @@
-#include "MantidCurveFitting/FlatBackground.h"
+#include "MantidCurveFitting/Functions/FlatBackground.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidKernel/System.h"
using namespace Mantid::Kernel;
+
using namespace Mantid::API;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(FlatBackground)
//----------------------------------------------------------------------------------------------
@@ -60,4 +64,5 @@ void FlatBackground::functionDeriv1D(API::Jacobian *out, const double *xValues,
}
} // namespace Mantid
+} // namespace Functions
} // namespace CurveFitting
diff --git a/Framework/CurveFitting/src/FullprofPolynomial.cpp b/Framework/CurveFitting/src/Functions/FullprofPolynomial.cpp
similarity index 97%
rename from Framework/CurveFitting/src/FullprofPolynomial.cpp
rename to Framework/CurveFitting/src/Functions/FullprofPolynomial.cpp
index c11007ea6c0ff153321d028c68eee5b9edd990b4..0c694afb8b925a73e6614f2758d64f771725237f 100644
--- a/Framework/CurveFitting/src/FullprofPolynomial.cpp
+++ b/Framework/CurveFitting/src/Functions/FullprofPolynomial.cpp
@@ -1,9 +1,12 @@
-#include "MantidCurveFitting/FullprofPolynomial.h"
+#include "MantidCurveFitting/Functions/FullprofPolynomial.h"
#include "MantidAPI/FunctionFactory.h"
#include <boost/lexical_cast.hpp>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(FullprofPolynomial)
@@ -161,5 +164,6 @@ bool FullprofPolynomial::hasAttribute(const std::string &attName) const {
return has;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/GausDecay.cpp b/Framework/CurveFitting/src/Functions/GausDecay.cpp
similarity index 91%
rename from Framework/CurveFitting/src/GausDecay.cpp
rename to Framework/CurveFitting/src/Functions/GausDecay.cpp
index 1497dbd6af7153865b61fb19ed45d4b0fc69f204..62e7fa7b723c6c9d88c9175bdd8a271d0a88c962 100644
--- a/Framework/CurveFitting/src/GausDecay.cpp
+++ b/Framework/CurveFitting/src/Functions/GausDecay.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/GausDecay.h"
+#include "MantidCurveFitting/Functions/GausDecay.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(GausDecay)
@@ -51,5 +55,6 @@ void GausDecay::setActiveParameter(size_t i, double value) {
setParameter(j, value, false);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/GausOsc.cpp b/Framework/CurveFitting/src/Functions/GausOsc.cpp
similarity index 94%
rename from Framework/CurveFitting/src/GausOsc.cpp
rename to Framework/CurveFitting/src/Functions/GausOsc.cpp
index fbf341f190a4665c037e4d8cdc935aed2ffbdac1..54b17aec67d9e64e675c0d28e4054c6f908aebb9 100644
--- a/Framework/CurveFitting/src/GausOsc.cpp
+++ b/Framework/CurveFitting/src/Functions/GausOsc.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/GausOsc.h"
+#include "MantidCurveFitting/Functions/GausOsc.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(GausOsc)
@@ -69,5 +73,6 @@ void GausOsc::setActiveParameter(size_t i, double value) {
setParameter(j, value, false);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Gaussian.cpp b/Framework/CurveFitting/src/Functions/Gaussian.cpp
similarity index 94%
rename from Framework/CurveFitting/src/Gaussian.cpp
rename to Framework/CurveFitting/src/Functions/Gaussian.cpp
index 886d31e3f3ef9c0abe4a87030d2e5f2621668f2e..eeacee84e14d13cca2f551c7fb8dd0a864134e12 100644
--- a/Framework/CurveFitting/src/Gaussian.cpp
+++ b/Framework/CurveFitting/src/Functions/Gaussian.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Gaussian.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
@@ -9,8 +9,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Gaussian)
@@ -69,5 +73,6 @@ double Gaussian::activeParameter(size_t i) const {
return getParameter(i);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/GaussianComptonProfile.cpp b/Framework/CurveFitting/src/Functions/GaussianComptonProfile.cpp
similarity index 96%
rename from Framework/CurveFitting/src/GaussianComptonProfile.cpp
rename to Framework/CurveFitting/src/Functions/GaussianComptonProfile.cpp
index 3cc941c99647c2c51097a6c5f2f81326a2611cc0..23af0e475ee0caf438272c175d588066b1cb2111 100644
--- a/Framework/CurveFitting/src/GaussianComptonProfile.cpp
+++ b/Framework/CurveFitting/src/Functions/GaussianComptonProfile.cpp
@@ -1,13 +1,16 @@
//------------------------------------------------------------------------------------------------
// Includes
//------------------------------------------------------------------------------------------------
-#include "MantidCurveFitting/GaussianComptonProfile.h"
+#include "MantidCurveFitting/Functions/GaussianComptonProfile.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(GaussianComptonProfile)
const char *WIDTH_PARAM = "Width";
@@ -112,5 +115,6 @@ void GaussianComptonProfile::massProfile(double *result, const size_t nData,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/GramCharlierComptonProfile.cpp b/Framework/CurveFitting/src/Functions/GramCharlierComptonProfile.cpp
similarity index 98%
rename from Framework/CurveFitting/src/GramCharlierComptonProfile.cpp
rename to Framework/CurveFitting/src/Functions/GramCharlierComptonProfile.cpp
index 7003021e27ecf3f23f1e331fb07d307eb1c9db38..dcefc759c3041571c04728526393f096af35dbae 100644
--- a/Framework/CurveFitting/src/GramCharlierComptonProfile.cpp
+++ b/Framework/CurveFitting/src/Functions/GramCharlierComptonProfile.cpp
@@ -1,7 +1,7 @@
//------------------------------------------------------------------------------------------------
// Includes
//------------------------------------------------------------------------------------------------
-#include "MantidCurveFitting/GramCharlierComptonProfile.h"
+#include "MantidCurveFitting/Functions/GramCharlierComptonProfile.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidKernel/Math/Distributions/HermitePolynomials.h"
@@ -14,6 +14,9 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
// Register into factory
DECLARE_FUNCTION(GramCharlierComptonProfile)
@@ -247,6 +250,7 @@ size_t GramCharlierComptonProfile::fillConstraintMatrix(
void GramCharlierComptonProfile::massProfile(double *result,
const size_t nData) const {
UNUSED_ARG(nData);
+
using namespace Mantid::Kernel;
// Hermite expansion (only even terms) + FSE term
@@ -275,6 +279,7 @@ void GramCharlierComptonProfile::massProfile(double *result,
*/
void GramCharlierComptonProfile::addMassProfile(
double *result, const unsigned int npoly) const {
+
using namespace Mantid::Kernel;
const double amp(1.0), wg(getParameter(WIDTH_PARAM));
@@ -300,6 +305,7 @@ void GramCharlierComptonProfile::addMassProfile(
*/
void GramCharlierComptonProfile::addFSETerm(std::vector<double> &lhs) const {
assert(static_cast<size_t>(NFINE_Y) == lhs.size());
+
using namespace Mantid::Kernel;
const double amp(1.0), wg(getParameter(WIDTH_PARAM));
@@ -362,7 +368,7 @@ void GramCharlierComptonProfile::setMatrixWorkspace(
*/
void GramCharlierComptonProfile::cacheYSpaceValues(
const std::vector<double> &tseconds, const bool isHistogram,
- const DetectorParams &detpar) {
+ const Algorithms::DetectorParams &detpar) {
ComptonProfile::cacheYSpaceValues(tseconds, isHistogram,
detpar); // base-class calculations
@@ -438,5 +444,6 @@ void GramCharlierComptonProfile::cacheYSpaceValues(
// vector
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/IkedaCarpenterPV.cpp b/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
similarity index 97%
rename from Framework/CurveFitting/src/IkedaCarpenterPV.cpp
rename to Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
index 527a9c39698081e58d8acc3d322ee20b35585697..519f78976bd762d60dcdab2afc56eedbceba0123 100644
--- a/Framework/CurveFitting/src/IkedaCarpenterPV.cpp
+++ b/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
@@ -1,8 +1,8 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/IkedaCarpenterPV.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/IkedaCarpenterPV.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidCurveFitting/SpecialFunctionSupport.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/FunctionFactory.h"
@@ -21,6 +21,9 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
namespace {
/// static logger
@@ -28,8 +31,11 @@ Kernel::Logger g_log("IkedaCarpenterPV");
}
using namespace Kernel;
-using namespace SpecialFunctionSupport;
+
+using namespace CurveFitting::SpecialFunctionSupport;
+
using namespace Geometry;
+using namespace Constraints;
DECLARE_FUNCTION(IkedaCarpenterPV)
@@ -366,5 +372,6 @@ void IkedaCarpenterPV::functionDeriv(const API::FunctionDomain &domain,
calNumericalDeriv(domain, jacobian);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LinearBackground.cpp b/Framework/CurveFitting/src/Functions/LinearBackground.cpp
similarity index 94%
rename from Framework/CurveFitting/src/LinearBackground.cpp
rename to Framework/CurveFitting/src/Functions/LinearBackground.cpp
index 5961d95a20ed370a835d6464e891ba1d56d27db1..de365f0d88caddcebecc73905b980b9156f64983 100644
--- a/Framework/CurveFitting/src/LinearBackground.cpp
+++ b/Framework/CurveFitting/src/Functions/LinearBackground.cpp
@@ -1,13 +1,17 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/LinearBackground.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(LinearBackground)
@@ -79,5 +83,6 @@ void LinearBackground::fit(const std::vector<double> &X,
setParameter("A1", a1);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/LogNormal.cpp b/Framework/CurveFitting/src/Functions/LogNormal.cpp
similarity index 95%
rename from Framework/CurveFitting/src/LogNormal.cpp
rename to Framework/CurveFitting/src/Functions/LogNormal.cpp
index e7cba5f58ea4f41da6946e3452617b53bfd48fbf..85e24ebfcf8ecd2a6705f68c61793754a6851b91 100644
--- a/Framework/CurveFitting/src/LogNormal.cpp
+++ b/Framework/CurveFitting/src/Functions/LogNormal.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/LogNormal.h"
+#include "MantidCurveFitting/Functions/LogNormal.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(LogNormal)
@@ -78,5 +82,6 @@ void LogNormal::functionDeriv1D(API::Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Lorentzian.cpp b/Framework/CurveFitting/src/Functions/Lorentzian.cpp
similarity index 94%
rename from Framework/CurveFitting/src/Lorentzian.cpp
rename to Framework/CurveFitting/src/Functions/Lorentzian.cpp
index 8d58c9a3915b9d7bd87d8d9da9be2a6f5ae70be0..0b5d4b534624e37d6e81d22b099809d16d1ac346 100644
--- a/Framework/CurveFitting/src/Lorentzian.cpp
+++ b/Framework/CurveFitting/src/Functions/Lorentzian.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Lorentzian.h"
+#include "MantidCurveFitting/Functions/Lorentzian.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Lorentzian)
@@ -75,5 +79,6 @@ void Lorentzian::functionDerivLocal(Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Lorentzian1D.cpp b/Framework/CurveFitting/src/Functions/Lorentzian1D.cpp
similarity index 95%
rename from Framework/CurveFitting/src/Lorentzian1D.cpp
rename to Framework/CurveFitting/src/Functions/Lorentzian1D.cpp
index 763d9a92ed152d2f081d9dfb6ae8bdfe627b537f..1c19669665cef0be1ff816dc5d58c0074c2a8465 100644
--- a/Framework/CurveFitting/src/Lorentzian1D.cpp
+++ b/Framework/CurveFitting/src/Functions/Lorentzian1D.cpp
@@ -1,13 +1,16 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Lorentzian1D.h"
+#include "MantidCurveFitting/Functions/Lorentzian1D.h"
#include <gsl/gsl_sf_erf.h>
#include <gsl/gsl_multifit_nlin.h>
#include "MantidKernel/BoundedValidator.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using API::Jacobian;
// Register the class into the algorithm factory
@@ -69,5 +72,6 @@ void Lorentzian1D::functionDeriv(const double *in, Jacobian *out,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/MuonFInteraction.cpp b/Framework/CurveFitting/src/Functions/MuonFInteraction.cpp
similarity index 90%
rename from Framework/CurveFitting/src/MuonFInteraction.cpp
rename to Framework/CurveFitting/src/Functions/MuonFInteraction.cpp
index a11f82c92ae02a68df3adeb7030eeeed61e72b4b..4fcb0672c65bf56ee6691a3b0880d4d2f23fcba0 100644
--- a/Framework/CurveFitting/src/MuonFInteraction.cpp
+++ b/Framework/CurveFitting/src/Functions/MuonFInteraction.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/MuonFInteraction.h"
+#include "MantidCurveFitting/Functions/MuonFInteraction.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(MuonFInteraction)
@@ -40,5 +44,6 @@ void MuonFInteraction::function1D(double *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/NeutronBk2BkExpConvPVoigt.cpp b/Framework/CurveFitting/src/Functions/NeutronBk2BkExpConvPVoigt.cpp
similarity index 99%
rename from Framework/CurveFitting/src/NeutronBk2BkExpConvPVoigt.cpp
rename to Framework/CurveFitting/src/Functions/NeutronBk2BkExpConvPVoigt.cpp
index 9f4d315690da912d41a074727fa5cb012015d8a3..c451d8d528adedf27626917dd0b574be8fffcbda 100644
--- a/Framework/CurveFitting/src/NeutronBk2BkExpConvPVoigt.cpp
+++ b/Framework/CurveFitting/src/Functions/NeutronBk2BkExpConvPVoigt.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidKernel/EmptyValues.h"
@@ -17,6 +17,9 @@ using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
namespace {
/// static logger
Kernel::Logger g_log("NeutronBk2BkExpConvPV");
@@ -504,5 +507,6 @@ double NeutronBk2BkExpConvPVoigt::calOmega(const double x, const double eta,
return omega;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PawleyFunction.cpp b/Framework/CurveFitting/src/Functions/PawleyFunction.cpp
similarity index 98%
rename from Framework/CurveFitting/src/PawleyFunction.cpp
rename to Framework/CurveFitting/src/Functions/PawleyFunction.cpp
index ab4c06fb473da7c04457368a46baeed882992d86..2f4231d00f45460479cb798489372750eca5f56c 100644
--- a/Framework/CurveFitting/src/PawleyFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/PawleyFunction.cpp
@@ -1,9 +1,9 @@
-#include "MantidCurveFitting/PawleyFunction.h"
+#include "MantidCurveFitting/Functions/PawleyFunction.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidKernel/UnitConversion.h"
#include "MantidKernel/UnitFactory.h"
@@ -13,11 +13,17 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace Constraints;
DECLARE_FUNCTION(PawleyParameterFunction)
using namespace API;
+
using namespace Geometry;
+
using namespace Kernel;
/// Constructor
@@ -572,5 +578,6 @@ void PawleyFunction::beforeDecoratedFunctionSet(const API::IFunction_sptr &fn) {
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PeakParameterFunction.cpp b/Framework/CurveFitting/src/Functions/PeakParameterFunction.cpp
similarity index 93%
rename from Framework/CurveFitting/src/PeakParameterFunction.cpp
rename to Framework/CurveFitting/src/Functions/PeakParameterFunction.cpp
index 068e7d5440dcf0f2e3dae8b5ff1cc009a4d61274..5991f2ad484d034df9434b38cb1a7a29329fc232 100644
--- a/Framework/CurveFitting/src/PeakParameterFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/PeakParameterFunction.cpp
@@ -1,9 +1,12 @@
-#include "MantidCurveFitting/PeakParameterFunction.h"
+#include "MantidCurveFitting/Functions/PeakParameterFunction.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace API;
@@ -59,5 +62,6 @@ void PeakParameterFunction::beforeDecoratedFunctionSet(
m_peakFunction = peakFunction;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Polynomial.cpp b/Framework/CurveFitting/src/Functions/Polynomial.cpp
similarity index 97%
rename from Framework/CurveFitting/src/Polynomial.cpp
rename to Framework/CurveFitting/src/Functions/Polynomial.cpp
index d6b20c93df577952f06af3527ebccffd30c9a685..800902e4ffabba0586b272a7f9cf0ef3145609f5 100644
--- a/Framework/CurveFitting/src/Polynomial.cpp
+++ b/Framework/CurveFitting/src/Functions/Polynomial.cpp
@@ -1,14 +1,18 @@
-#include "MantidCurveFitting/Polynomial.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
#include "MantidAPI/FunctionFactory.h"
#include <boost/lexical_cast.hpp>
using namespace Mantid::Kernel;
+
using namespace Mantid::API;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(Polynomial)
@@ -154,5 +158,6 @@ bool Polynomial::hasAttribute(const std::string &attName) const {
return attName == "n";
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ProcessBackground.cpp b/Framework/CurveFitting/src/Functions/ProcessBackground.cpp
similarity index 98%
rename from Framework/CurveFitting/src/ProcessBackground.cpp
rename to Framework/CurveFitting/src/Functions/ProcessBackground.cpp
index d6bd7e43f1a3cf57dab73270076e1b83b6994019..3df0c026c17f7f09df892405a48b89137f95b329 100644
--- a/Framework/CurveFitting/src/ProcessBackground.cpp
+++ b/Framework/CurveFitting/src/Functions/ProcessBackground.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ProcessBackground.h"
+#include "MantidCurveFitting/Functions/ProcessBackground.h"
#include "MantidAPI/WorkspaceProperty.h"
#include "MantidKernel/Property.h"
#include "MantidKernel/ListValidator.h"
@@ -6,8 +6,8 @@
#include "MantidKernel/VisibleWhenProperty.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidCurveFitting/Polynomial.h"
-#include "MantidCurveFitting/Chebyshev.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
+#include "MantidCurveFitting/Functions/Chebyshev.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidGeometry/Crystal/IPeak.h"
#include "MantidAPI/TableRow.h"
@@ -17,15 +17,22 @@
#include <boost/algorithm/string/split.hpp>
using namespace Mantid;
+
using namespace Mantid::API;
+
using namespace Mantid::Kernel;
+
using namespace Mantid::DataObjects;
+
using namespace Mantid::CurveFitting;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_ALGORITHM(ProcessBackground)
@@ -677,17 +684,16 @@ ProcessBackground::autoBackgroundSelection(Workspace2D_sptr bkgdWS) {
*/
BackgroundFunction_sptr
ProcessBackground::createBackgroundFunction(const string backgroundtype) {
- CurveFitting::BackgroundFunction_sptr bkgdfunction;
+ Functions::BackgroundFunction_sptr bkgdfunction;
if (backgroundtype.compare("Polynomial") == 0) {
- bkgdfunction =
- boost::dynamic_pointer_cast<CurveFitting::BackgroundFunction>(
- boost::make_shared<CurveFitting::Polynomial>());
+ bkgdfunction = boost::dynamic_pointer_cast<Functions::BackgroundFunction>(
+ boost::make_shared<Functions::Polynomial>());
bkgdfunction->initialize();
} else if (backgroundtype.compare("Chebyshev") == 0) {
- Chebyshev_sptr cheby = boost::make_shared<CurveFitting::Chebyshev>();
+ Chebyshev_sptr cheby = boost::make_shared<Functions::Chebyshev>();
bkgdfunction =
- boost::dynamic_pointer_cast<CurveFitting::BackgroundFunction>(cheby);
+ boost::dynamic_pointer_cast<Functions::BackgroundFunction>(cheby);
bkgdfunction->initialize();
g_log.debug() << "[D] Chebyshev is set to range " << m_lowerBound << ", "
@@ -1099,5 +1105,6 @@ size_t RemovePeaks::excludePeaks(vector<double> v_inX, vector<bool> &v_useX,
return count;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ProductFunction.cpp b/Framework/CurveFitting/src/Functions/ProductFunction.cpp
similarity index 89%
rename from Framework/CurveFitting/src/ProductFunction.cpp
rename to Framework/CurveFitting/src/Functions/ProductFunction.cpp
index 91152ccf885dd482e7f781cf3cbcec49e4986bcc..777e29e20fc2a09b9f1d455a5bb99d526e919aea 100644
--- a/Framework/CurveFitting/src/ProductFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/ProductFunction.cpp
@@ -1,11 +1,14 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/ProductFunction.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ProductFunction)
@@ -34,5 +37,6 @@ void ProductFunction::functionDeriv(const API::FunctionDomain &domain,
calNumericalDeriv(domain, jacobian);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ProductLinearExp.cpp b/Framework/CurveFitting/src/Functions/ProductLinearExp.cpp
similarity index 87%
rename from Framework/CurveFitting/src/ProductLinearExp.cpp
rename to Framework/CurveFitting/src/Functions/ProductLinearExp.cpp
index 58079f6a9cdb9d39ad19d0ba3fd67d8c58684e75..c4d3758b8240479f579389db207affbd0c0f8e6b 100644
--- a/Framework/CurveFitting/src/ProductLinearExp.cpp
+++ b/Framework/CurveFitting/src/Functions/ProductLinearExp.cpp
@@ -1,13 +1,17 @@
-#include "MantidCurveFitting/ProductLinearExp.h"
-#include "MantidCurveFitting/ExpDecay.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/ProductFunction.h"
+#include "MantidCurveFitting/Functions/ProductLinearExp.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(ProductLinearExp)
@@ -72,5 +76,6 @@ void ProductLinearExp::function1D(double *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ProductQuadraticExp.cpp b/Framework/CurveFitting/src/Functions/ProductQuadraticExp.cpp
similarity index 88%
rename from Framework/CurveFitting/src/ProductQuadraticExp.cpp
rename to Framework/CurveFitting/src/Functions/ProductQuadraticExp.cpp
index 0d6dc24cd0997d06bbf9c44605ec95e1da170f69..5bd2458173bcdc84d300630334c6142f09eb4f04 100644
--- a/Framework/CurveFitting/src/ProductQuadraticExp.cpp
+++ b/Framework/CurveFitting/src/Functions/ProductQuadraticExp.cpp
@@ -1,11 +1,14 @@
-#include "MantidCurveFitting/ProductQuadraticExp.h"
-#include "MantidCurveFitting/ExpDecay.h"
-#include "MantidCurveFitting/Quadratic.h"
-#include "MantidCurveFitting/ProductFunction.h"
+#include "MantidCurveFitting/Functions/ProductQuadraticExp.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/Functions/Quadratic.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ProductQuadraticExp)
@@ -73,5 +76,6 @@ void ProductQuadraticExp::function1D(double *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/PseudoVoigt.cpp b/Framework/CurveFitting/src/Functions/PseudoVoigt.cpp
similarity index 92%
rename from Framework/CurveFitting/src/PseudoVoigt.cpp
rename to Framework/CurveFitting/src/Functions/PseudoVoigt.cpp
index a492df6add6514a4888fc8eb88b80719fd5c99dd..a0ce2def8134e7420663297cd75c8fb529bc7b94 100644
--- a/Framework/CurveFitting/src/PseudoVoigt.cpp
+++ b/Framework/CurveFitting/src/Functions/PseudoVoigt.cpp
@@ -1,11 +1,15 @@
-#include "MantidCurveFitting/PseudoVoigt.h"
+#include "MantidCurveFitting/Functions/PseudoVoigt.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+using namespace Constraints;
using namespace API;
@@ -83,5 +87,6 @@ void PseudoVoigt::init() {
addConstraint(mixingConstraint);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Quadratic.cpp b/Framework/CurveFitting/src/Functions/Quadratic.cpp
similarity index 92%
rename from Framework/CurveFitting/src/Quadratic.cpp
rename to Framework/CurveFitting/src/Functions/Quadratic.cpp
index 0b364ce4a2319cdc0d2b4ef5feb11aad2f1e9963..cb6a2b6f6613a13494efed79a674bedcd94fe056 100644
--- a/Framework/CurveFitting/src/Quadratic.cpp
+++ b/Framework/CurveFitting/src/Functions/Quadratic.cpp
@@ -1,13 +1,17 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Quadratic.h"
+#include "MantidCurveFitting/Functions/Quadratic.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Quadratic)
@@ -53,5 +57,6 @@ void Quadratic::functionDeriv1D(API::Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ReflectivityMulf.cpp b/Framework/CurveFitting/src/Functions/ReflectivityMulf.cpp
similarity index 98%
rename from Framework/CurveFitting/src/ReflectivityMulf.cpp
rename to Framework/CurveFitting/src/Functions/ReflectivityMulf.cpp
index 17ab832f7de39c76e1e7bc4e17654844dbce9667..4d84564dd5a0ab38d2ccec35b20b363cbc60dcda 100644
--- a/Framework/CurveFitting/src/ReflectivityMulf.cpp
+++ b/Framework/CurveFitting/src/Functions/ReflectivityMulf.cpp
@@ -1,15 +1,19 @@
-#include "MantidCurveFitting/ReflectivityMulf.h"
+#include "MantidCurveFitting/Functions/ReflectivityMulf.h"
#include "MantidAPI/FunctionFactory.h"
#include <boost/lexical_cast.hpp>
#include <cmath>
using namespace Mantid::Kernel;
+
using namespace Mantid::API;
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ReflectivityMulf)
@@ -292,5 +296,6 @@ void ReflectivityMulf::setAttribute(const std::string &attName,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Resolution.cpp b/Framework/CurveFitting/src/Functions/Resolution.cpp
similarity index 90%
rename from Framework/CurveFitting/src/Resolution.cpp
rename to Framework/CurveFitting/src/Functions/Resolution.cpp
index 75319dbcb07e8d3e5c43e859a30e364208b6798e..fad3353dbfd1de98e2d4d5f84bfd156a5ab1a35f 100644
--- a/Framework/CurveFitting/src/Resolution.cpp
+++ b/Framework/CurveFitting/src/Functions/Resolution.cpp
@@ -1,13 +1,17 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/Resolution.h"
+#include "MantidCurveFitting/Functions/Resolution.h"
#include "MantidAPI/FunctionFactory.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(Resolution)
@@ -43,5 +47,6 @@ bool Resolution::hasAttribute(const std::string &attName) const {
return m_fun.hasAttribute(attName);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/SimpleChebfun.cpp b/Framework/CurveFitting/src/Functions/SimpleChebfun.cpp
similarity index 97%
rename from Framework/CurveFitting/src/SimpleChebfun.cpp
rename to Framework/CurveFitting/src/Functions/SimpleChebfun.cpp
index 9416aaaae314a59def2b0c4b00c2ae95d413ad59..1cc4ce08e3f2f9ed010d08128465edda590161cc 100644
--- a/Framework/CurveFitting/src/SimpleChebfun.cpp
+++ b/Framework/CurveFitting/src/Functions/SimpleChebfun.cpp
@@ -1,10 +1,13 @@
-#include "MantidCurveFitting/SimpleChebfun.h"
+#include "MantidCurveFitting/Functions/SimpleChebfun.h"
#include "MantidAPI/IFunction.h"
#include <boost/make_shared.hpp>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
//----------------------------------------------------------------------------------------------
/// Constructs a SimpleChebfun that approximates a function with a polynomial of
@@ -163,5 +166,6 @@ SimpleChebfun &SimpleChebfun::operator+=(ChebfunFunctionType fun) {
return *this;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/StaticKuboToyabe.cpp b/Framework/CurveFitting/src/Functions/StaticKuboToyabe.cpp
similarity index 87%
rename from Framework/CurveFitting/src/StaticKuboToyabe.cpp
rename to Framework/CurveFitting/src/Functions/StaticKuboToyabe.cpp
index 6d96804846ab9f92aa37aa5a8261ced40e400b91..9875e375005a0643d38d89ebbdf44a2fc5a286dc 100644
--- a/Framework/CurveFitting/src/StaticKuboToyabe.cpp
+++ b/Framework/CurveFitting/src/Functions/StaticKuboToyabe.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/StaticKuboToyabe.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabe.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(StaticKuboToyabe)
@@ -30,5 +34,6 @@ void StaticKuboToyabe::function1D(double *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/StaticKuboToyabeTimesExpDecay.cpp b/Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesExpDecay.cpp
similarity index 87%
rename from Framework/CurveFitting/src/StaticKuboToyabeTimesExpDecay.cpp
rename to Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesExpDecay.cpp
index 8ee826d6dbc1de68b6903e508f3db0124516c15b..33e328757063e52ecbc75829779ec16f6e1dd310 100644
--- a/Framework/CurveFitting/src/StaticKuboToyabeTimesExpDecay.cpp
+++ b/Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesExpDecay.cpp
@@ -1,11 +1,15 @@
-#include "MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(StaticKuboToyabeTimesExpDecay)
@@ -34,5 +38,6 @@ void StaticKuboToyabeTimesExpDecay::function1D(double *out,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/StaticKuboToyabeTimesGausDecay.cpp b/Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesGausDecay.cpp
similarity index 88%
rename from Framework/CurveFitting/src/StaticKuboToyabeTimesGausDecay.cpp
rename to Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesGausDecay.cpp
index 50a84ee40c92b50a38917037d2c481a1a111b102..3fd2c5394f95286b21697564df093db0039f9d92 100644
--- a/Framework/CurveFitting/src/StaticKuboToyabeTimesGausDecay.cpp
+++ b/Framework/CurveFitting/src/Functions/StaticKuboToyabeTimesGausDecay.cpp
@@ -1,10 +1,15 @@
-#include "MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(StaticKuboToyabeTimesGausDecay)
@@ -36,5 +41,6 @@ void StaticKuboToyabeTimesGausDecay::function1D(double *out,
A * (exp(-(x2 * D2) / 2) * (1 - x2 * D2) * C1 + C2) * exp(-S2 * x2);
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/StretchExp.cpp b/Framework/CurveFitting/src/Functions/StretchExp.cpp
similarity index 94%
rename from Framework/CurveFitting/src/StretchExp.cpp
rename to Framework/CurveFitting/src/Functions/StretchExp.cpp
index 51064e2b85c9a6d5b9071afb15bdcb9a8fce9822..41a8cf8b7ff734787fbe4260de9cf4400ed4d1e5 100644
--- a/Framework/CurveFitting/src/StretchExp.cpp
+++ b/Framework/CurveFitting/src/Functions/StretchExp.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/StretchExp.h"
+#include "MantidCurveFitting/Functions/StretchExp.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(StretchExp)
@@ -71,5 +75,6 @@ void StretchExp::functionDeriv1D(API::Jacobian *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/StretchExpMuon.cpp b/Framework/CurveFitting/src/Functions/StretchExpMuon.cpp
similarity index 88%
rename from Framework/CurveFitting/src/StretchExpMuon.cpp
rename to Framework/CurveFitting/src/Functions/StretchExpMuon.cpp
index 3c14c8fead5e209b6a6de41a690dfa819079e125..c88d045de580b32c08f6eb0341d26784da9fdf76 100644
--- a/Framework/CurveFitting/src/StretchExpMuon.cpp
+++ b/Framework/CurveFitting/src/Functions/StretchExpMuon.cpp
@@ -1,14 +1,18 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/StretchExpMuon.h"
+#include "MantidCurveFitting/Functions/StretchExpMuon.h"
#include "MantidAPI/FunctionFactory.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
using namespace Kernel;
+
using namespace API;
DECLARE_FUNCTION(StretchExpMuon)
@@ -31,5 +35,6 @@ void StretchExpMuon::function1D(double *out, const double *xValues,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/TabulatedFunction.cpp b/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
similarity index 98%
rename from Framework/CurveFitting/src/TabulatedFunction.cpp
rename to Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
index 10f9e8168a8779989e05a736b8c56b3b8108c6e1..d0efc13940ae2ce8c316fbd2d6445b2839293b20 100644
--- a/Framework/CurveFitting/src/TabulatedFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/TabulatedFunction.h"
+#include "MantidCurveFitting/Functions/TabulatedFunction.h"
#include "MantidKernel/FileValidator.h"
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/FunctionFactory.h"
@@ -14,7 +14,12 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
+
using namespace Kernel;
+
using namespace API;
namespace {
@@ -276,5 +281,6 @@ void TabulatedFunction::setupData() const {
m_setupFinished = true;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpAlpha.cpp b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpAlpha.cpp
similarity index 94%
rename from Framework/CurveFitting/src/ThermalNeutronBk2BkExpAlpha.cpp
rename to Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpAlpha.cpp
index 9eff40af37195f5aa5a285dbcbedf0709fbc9d90..464c73e7fb34fa7da4c8d0724e10434e2a6cb249 100644
--- a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpAlpha.cpp
+++ b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpAlpha.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
@@ -6,12 +6,18 @@
#include <cmath>
using namespace std;
+
using namespace Mantid;
+
using namespace Mantid::API;
+
using namespace Mantid::CurveFitting;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ThermalNeutronBk2BkExpAlpha)
@@ -80,5 +86,6 @@ double ThermalNeutronBk2BkExpAlpha::corefunction(double dh, double width,
return alpha;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpBeta.cpp b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpBeta.cpp
similarity index 94%
rename from Framework/CurveFitting/src/ThermalNeutronBk2BkExpBeta.cpp
rename to Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpBeta.cpp
index ae1170803594d1666b7d81497f488802e5e5c85f..92901743be4ceca7e440dbd811db471ffd153962 100644
--- a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpBeta.cpp
+++ b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpBeta.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
@@ -6,12 +6,18 @@
#include <cmath>
using namespace std;
+
using namespace Mantid;
+
using namespace Mantid::CurveFitting;
+
using namespace Mantid::API;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ThermalNeutronBk2BkExpBeta)
@@ -79,5 +85,6 @@ double ThermalNeutronBk2BkExpBeta::corefunction(double dh, double width,
return beta;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpConvPVoigt.cpp b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpConvPVoigt.cpp
similarity index 99%
rename from Framework/CurveFitting/src/ThermalNeutronBk2BkExpConvPVoigt.cpp
rename to Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpConvPVoigt.cpp
index 521becfcc478059efe73a2c0aca2a8c645108d6c..8ee59b58177ad3525a2615c6ef4ec8fcd8b8703a 100644
--- a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpConvPVoigt.cpp
+++ b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpConvPVoigt.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidKernel/EmptyValues.h"
@@ -14,11 +14,16 @@ const double PEAKRANGE = 5.0;
const double NEG_DBL_MAX = -1. * DBL_MAX;
using namespace std;
+
using namespace Mantid;
+
using namespace Mantid::API;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
namespace {
/// static reference to the logger
Kernel::Logger g_log("ThermalNeutronBk2BkExpConvPV");
@@ -774,5 +779,6 @@ void ThermalNeutronBk2BkExpConvPVoigt::setPeakRadius(const int& r)
}
*/
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpSigma.cpp b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpSigma.cpp
similarity index 94%
rename from Framework/CurveFitting/src/ThermalNeutronBk2BkExpSigma.cpp
rename to Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpSigma.cpp
index ed8f0af7b195223ea9093587e5bdbf6a29fbca31..51c0370b5cffa8752f75d08b2e7ac51f259e3f71 100644
--- a/Framework/CurveFitting/src/ThermalNeutronBk2BkExpSigma.cpp
+++ b/Framework/CurveFitting/src/Functions/ThermalNeutronBk2BkExpSigma.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
@@ -6,12 +6,18 @@
#include <cmath>
using namespace std;
+
using namespace Mantid;
+
using namespace Mantid::API;
+
using namespace Mantid::CurveFitting;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(ThermalNeutronBk2BkExpSigma)
@@ -77,5 +83,6 @@ double ThermalNeutronBk2BkExpSigma::corefunction(double dh, double sig0sq,
return sigma;
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ThermalNeutronDtoTOFFunction.cpp b/Framework/CurveFitting/src/Functions/ThermalNeutronDtoTOFFunction.cpp
similarity index 96%
rename from Framework/CurveFitting/src/ThermalNeutronDtoTOFFunction.cpp
rename to Framework/CurveFitting/src/Functions/ThermalNeutronDtoTOFFunction.cpp
index 8566384197fe62b9422f94a5b9fd39defa2090fc..4d3bb672a2df48ce85ad78f6c9e1cdaa5100d454 100644
--- a/Framework/CurveFitting/src/ThermalNeutronDtoTOFFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/ThermalNeutronDtoTOFFunction.cpp
@@ -1,4 +1,4 @@
-#include "MantidCurveFitting/ThermalNeutronDtoTOFFunction.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h"
#include "MantidKernel/System.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FunctionDomain1D.h"
@@ -6,10 +6,14 @@
#include <cmath>
using namespace Mantid::API;
+
using namespace std;
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
//----------------------------------------------------------------------------------------------
DECLARE_FUNCTION(ThermalNeutronDtoTOFFunction)
@@ -140,5 +144,6 @@ void ThermalNeutronDtoTOFFunction::functionDerivLocal(API::Jacobian *,
"ThermalNeutronDtoTOFFunction.");
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/UserFunction.cpp b/Framework/CurveFitting/src/Functions/UserFunction.cpp
similarity index 95%
rename from Framework/CurveFitting/src/UserFunction.cpp
rename to Framework/CurveFitting/src/Functions/UserFunction.cpp
index b367c452958f8775f7e667120a214977ed01357e..45ec9fc62f46b77425f2af1f312576146f0c507d 100644
--- a/Framework/CurveFitting/src/UserFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/UserFunction.cpp
@@ -1,18 +1,22 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/FunctionFactory.h"
#include <boost/tokenizer.hpp>
#include "MantidGeometry/muParser_Silent.h"
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
// Register the class into the function factory
DECLARE_FUNCTION(UserFunction)
using namespace Kernel;
+
using namespace API;
/// Constructor
@@ -113,5 +117,6 @@ void UserFunction::functionDeriv(const API::FunctionDomain &domain,
calNumericalDeriv(domain, jacobian);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/UserFunction1D.cpp b/Framework/CurveFitting/src/Functions/UserFunction1D.cpp
similarity index 97%
rename from Framework/CurveFitting/src/UserFunction1D.cpp
rename to Framework/CurveFitting/src/Functions/UserFunction1D.cpp
index 5164c2322bb93304a9703a2856c7d883296f1697..0c0ee89a9d0c1c6e2befac956b6146109db7825b 100644
--- a/Framework/CurveFitting/src/UserFunction1D.cpp
+++ b/Framework/CurveFitting/src/Functions/UserFunction1D.cpp
@@ -1,18 +1,22 @@
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
-#include "MantidCurveFitting/UserFunction1D.h"
+#include "MantidCurveFitting/Functions/UserFunction1D.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidKernel/MandatoryValidator.h"
#include <boost/tokenizer.hpp>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
// Register the class into the algorithm factory
DECLARE_ALGORITHM(UserFunction1D)
using namespace Kernel;
+
using namespace API;
/** Static callback function used by MuParser to initialize variables implicitly
@@ -155,5 +159,6 @@ void UserFunction1D::functionDeriv(const double *in, Jacobian *out,
}
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/VesuvioResolution.cpp b/Framework/CurveFitting/src/Functions/VesuvioResolution.cpp
similarity index 96%
rename from Framework/CurveFitting/src/VesuvioResolution.cpp
rename to Framework/CurveFitting/src/Functions/VesuvioResolution.cpp
index d850ed0f223861674134ac23aa1fa84bb5a6bd82..44c6b1e458ef1142f49b68f0f61080fca750fe4e 100644
--- a/Framework/CurveFitting/src/VesuvioResolution.cpp
+++ b/Framework/CurveFitting/src/Functions/VesuvioResolution.cpp
@@ -1,13 +1,18 @@
//-----------------------------------------------------------------------------
// Includes
//-----------------------------------------------------------------------------
-#include "MantidCurveFitting/VesuvioResolution.h"
-#include "MantidCurveFitting/ConvertToYSpace.h"
+#include "MantidCurveFitting/Functions/VesuvioResolution.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
#include "MantidAPI/FunctionFactory.h"
#include <gsl/gsl_poly.h>
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace Mantid;
+using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
namespace {
///@cond
const char *MASS_NAME = "Mass";
@@ -78,6 +83,7 @@ std::string VesuvioResolution::name() const { return "VesuvioResolution"; }
*/
void VesuvioResolution::setUpForFit() {
// Voigt
+
using namespace Mantid::API;
m_voigt = boost::dynamic_pointer_cast<IPeakFunction>(
FunctionFactory::Instance().createFunction("Voigt"));
@@ -108,7 +114,7 @@ void VesuvioResolution::setMatrixWorkspace(
* @param respar Structure containing resolution parameters
*/
void VesuvioResolution::cacheResolutionComponents(
- const DetectorParams &detpar, const ResolutionParams &respar) {
+ const Algorithms::DetectorParams &detpar, const ResolutionParams &respar) {
// geometry
double theta = detpar.theta; // cache for frequent access
double hwhmLorentzE = respar.dEnLorentz;
@@ -253,5 +259,6 @@ void VesuvioResolution::voigtApprox(std::vector<double> &voigt,
std::bind2nd(std::multiplies<double>(), norm));
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/Voigt.cpp b/Framework/CurveFitting/src/Functions/Voigt.cpp
similarity index 97%
rename from Framework/CurveFitting/src/Voigt.cpp
rename to Framework/CurveFitting/src/Functions/Voigt.cpp
index 9e006da4d314d97a44efe6c8f7f5bcc3b4b0a90a..73ce3f49f9979c516ecceedd0af016ee7b69eaf5 100644
--- a/Framework/CurveFitting/src/Voigt.cpp
+++ b/Framework/CurveFitting/src/Functions/Voigt.cpp
@@ -1,7 +1,7 @@
//----------------------------------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------------------------------
-#include "MantidCurveFitting/Voigt.h"
+#include "MantidCurveFitting/Functions/Voigt.h"
#include "MantidAPI/FunctionFactory.h"
@@ -9,6 +9,9 @@
namespace Mantid {
namespace CurveFitting {
+namespace Functions {
+
+using namespace CurveFitting;
DECLARE_FUNCTION(Voigt)
namespace {
@@ -165,5 +168,6 @@ void Voigt::setFwhm(const double value) {
this->setParameter(GAUSSIAN_FWHM, 0.5 * value);
}
+} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
diff --git a/Framework/CurveFitting/src/GSLFunctions.cpp b/Framework/CurveFitting/src/GSLFunctions.cpp
index d5c4445dcc00a0821742647014922c1ea3c7c16d..2ebd26b9ec65f05f028b43dc61b5a802e7a51600 100644
--- a/Framework/CurveFitting/src/GSLFunctions.cpp
+++ b/Framework/CurveFitting/src/GSLFunctions.cpp
@@ -126,7 +126,7 @@ int gsl_df(const gsl_vector *x, void *params, gsl_matrix *J) {
// functionDeriv() return derivatives of calculated data values. Need to
// convert this values into
- // derivatives of calculated-observed devided by error values used by GSL
+ // derivatives of calculated-observed divided by error values used by GSL
auto values = boost::dynamic_pointer_cast<API::FunctionValues>(
p->costFunction->getValues());
if (!values) {
@@ -159,7 +159,8 @@ int gsl_fdf(const gsl_vector *x, void *params, gsl_vector *f, gsl_matrix *J) {
* Constructor. Creates declared -> active index map
* @param cf :: ICostFunction
*/
-GSL_FitData::GSL_FitData(boost::shared_ptr<CostFuncLeastSquares> cf)
+GSL_FitData::GSL_FitData(
+ boost::shared_ptr<CostFunctions::CostFuncLeastSquares> cf)
: function(cf->getFittingFunction()), costFunction(cf) {
gsl_set_error_handler_off();
// number of active parameters
diff --git a/Framework/CurveFitting/src/GSLVector.cpp b/Framework/CurveFitting/src/GSLVector.cpp
index 6c7c341cf7d4f0f9f158ba91e7ebffe771a3cce0..cdbc2a12db0e7f571b5a8703754af69f1805cfd1 100644
--- a/Framework/CurveFitting/src/GSLVector.cpp
+++ b/Framework/CurveFitting/src/GSLVector.cpp
@@ -157,10 +157,12 @@ double GSLVector::dot(const GSLVector &v) const {
/// The << operator.
std::ostream &operator<<(std::ostream &ostr, const GSLVector &v) {
+ std::ios::fmtflags fflags(ostr.flags());
ostr << std::scientific << std::setprecision(6);
for (size_t j = 0; j < v.size(); ++j) {
ostr << std::setw(13) << v[j] << ' ';
}
+ ostr.flags(fflags);
return ostr;
}
diff --git a/Framework/CurveFitting/src/LatticeDomainCreator.cpp b/Framework/CurveFitting/src/LatticeDomainCreator.cpp
index 69901d090985206b121217ff3a25cc940bff389d..db2ebe4bde9fca3df9b46c7a12805e94876df8e1 100644
--- a/Framework/CurveFitting/src/LatticeDomainCreator.cpp
+++ b/Framework/CurveFitting/src/LatticeDomainCreator.cpp
@@ -9,7 +9,7 @@
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Peak.h"
-#include "MantidCurveFitting/PawleyFit.h"
+#include "MantidCurveFitting/Algorithms/PawleyFit.h"
namespace Mantid {
namespace CurveFitting {
@@ -17,6 +17,7 @@ namespace CurveFitting {
using namespace API;
using namespace Kernel;
using namespace DataObjects;
+using namespace CurveFitting::Algorithms;
/// Constructor
LatticeDomainCreator::LatticeDomainCreator(
diff --git a/Framework/CurveFitting/src/LatticeFunction.cpp b/Framework/CurveFitting/src/LatticeFunction.cpp
index 895327b1d97f18dcb4252531b56b780828c0a84b..0fd29c73d2762d3ef7ee2772847997eee024d4b3 100644
--- a/Framework/CurveFitting/src/LatticeFunction.cpp
+++ b/Framework/CurveFitting/src/LatticeFunction.cpp
@@ -62,8 +62,8 @@ void LatticeFunction::init() {
/// Checks that the decorated function is a PawleyParameterFunction.
void LatticeFunction::beforeDecoratedFunctionSet(const IFunction_sptr &fn) {
- PawleyParameterFunction_sptr paramFn =
- boost::dynamic_pointer_cast<PawleyParameterFunction>(fn);
+ Functions::PawleyParameterFunction_sptr paramFn =
+ boost::dynamic_pointer_cast<Functions::PawleyParameterFunction>(fn);
if (!paramFn) {
throw std::invalid_argument(
diff --git a/Framework/CurveFitting/src/MultiBG.cpp b/Framework/CurveFitting/src/MultiBG.cpp
deleted file mode 100644
index d0cc9705068359f16f2b8232816514899a2ea14c..0000000000000000000000000000000000000000
--- a/Framework/CurveFitting/src/MultiBG.cpp
+++ /dev/null
@@ -1,306 +0,0 @@
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
-#include "MantidCurveFitting/MultiBG.h"
-#include "MantidAPI/IFunctionMW.h"
-#include "MantidAPI/Expression.h"
-#include "MantidAPI/AnalysisDataService.h"
-#include "MantidAPI/WorkspaceGroup.h"
-#include "MantidAPI/FunctionFactory.h"
-
-#include <boost/lambda/lambda.hpp>
-#include <boost/lexical_cast.hpp>
-
-#include <sstream>
-#include <algorithm>
-#include <iterator>
-#include <float.h>
-
-using namespace boost::lambda;
-
-namespace Mantid {
-namespace CurveFitting {
-
-DECLARE_FUNCTION(MultiBG)
-
-/** A Jacobian for individual functions
- */
-class PartialJacobian : public API::Jacobian {
- API::Jacobian *m_J; ///< pointer to the overall Jacobian
- size_t m_iY0; ///< data array offset in the overall Jacobian for a particular
- /// function
- size_t m_iP0; ///< parameter offset in the overall Jacobian for a particular
- /// function
- size_t m_iaP0; ///< offset in the active Jacobian for a particular function
-public:
- /** Constructor
- * @param J :: A pointer to the overall Jacobian
- * @param iY0 :: Data array offset index (declared) for a particular function
- * @param iP0 :: The parameter index (declared) offset for a particular
- * function
- * @param iap0 :: The active parameter index (declared) offset for a
- * particular function
- */
- PartialJacobian(API::Jacobian *J, size_t iY0, size_t iP0, size_t iap0)
- : m_J(J), m_iY0(iY0), m_iP0(iP0), m_iaP0(iap0) {}
- /**
- * Overridden Jacobian::set(...).
- * @param iY :: The index of the data point
- * @param iP :: The parameter index of an individual function.
- * @param value :: The derivative value
- */
- void set(size_t iY, size_t iP, double value) {
- m_J->set(m_iY0 + iY, m_iP0 + iP, value);
- }
- /**
- * Overridden Jacobian::get(...).
- * @param iY :: The index of the data point
- * @param iP :: The parameter index of an individual function.
- */
- double get(size_t iY, size_t iP) { return m_J->get(m_iY0 + iY, m_iP0 + iP); }
- /** Add number to all iY (data) Jacobian elements for a given iP (parameter)
- * @param value :: Value to add
- * @param iActiveP :: The index of an active parameter.
- */
- virtual void addNumberToColumn(const double &value, const size_t &iActiveP) {
- m_J->addNumberToColumn(value, m_iaP0 + iActiveP);
- }
-};
-
-/// Destructor
-MultiBG::~MultiBG() {}
-
-/**
- * Function you want to fit to.
- */
-void MultiBG::function(double *out) const {
- std::vector<double> tmpOut(dataSize());
- std::fill_n(out, dataSize(), 0);
- for (size_t i = 0; i < nFunctions(); i++) {
- IFitFunction *fun = dynamic_cast<IFitFunction *>(getFunction(i));
- if (!fun) {
- throw std::runtime_error(
- "IFitFunction expected but function of another type found");
- }
- size_t nWS = m_funIndex[i].size();
- for (size_t k = 0; k < nWS; ++k) {
- size_t j = m_funIndex[i][k];
- fun->setWorkspace(m_spectra[k].first,
- "WorkspaceIndex=" + boost::lexical_cast<std::string>(
- m_spectra[j].second),
- false);
- // std::cerr << i << ' ' << k << " Function " << fun->name() << " ws " <<
- // fun->getWorkspace()->getName() << " wi "
- // << dynamic_cast<Mantid::API::IFunctionMW*>(fun)->getWorkspaceIndex()
- // << std::endl;
- double *out1 = out + m_offset[j];
- double *tmp1 = &tmpOut[0] + m_offset[j];
- size_t nData = 0;
- if (j < m_offset.size() - 1)
- nData = m_offset[j + 1] - m_offset[j];
- else
- nData = dataSize() - m_offset[j];
- if (i == 0) {
- fun->function(out1);
- } else {
- fun->function(tmp1);
- std::transform(out1, out1 + nData, tmp1, out1, std::plus<double>());
- }
- }
- }
- // std::cerr << "Function:\n";
- // for(size_t i = 0; i<nParams();++i)
- //{
- // std::cerr << getParameter(i) << ' ' ;
- //}
- // std::cerr << std::endl;
- // std::for_each(out,out+m_dataSize,std::cerr << _1 << '\n');
- // std::cerr << std::endl;
-}
-
-void MultiBG::functionDeriv(API::Jacobian *out) {
- // it is possible that out is NULL
- if (!out)
- return;
- for (size_t i = 0; i < nFunctions(); i++) {
- IFitFunction *fun = dynamic_cast<IFitFunction *>(getFunction(i));
- if (!fun) {
- throw std::runtime_error(
- "IFitFunction expected but function of another type found");
- }
- size_t nWS = m_funIndex[i].size();
- for (size_t k = 0; k < nWS; ++k) {
- size_t j = m_funIndex[i][k];
- fun->setWorkspace(m_spectra[k].first,
- "WorkspaceIndex=" + boost::lexical_cast<std::string>(
- m_spectra[j].second),
- false);
- PartialJacobian J(out, m_offset[j], paramOffset(i), activeOffset(i));
- fun->functionDeriv(&J);
- }
- }
-}
-
-void MultiBG::setWorkspace(boost::shared_ptr<const API::Workspace> ws, bool) {
- boost::shared_ptr<const API::MatrixWorkspace> mws =
- boost::dynamic_pointer_cast<const API::MatrixWorkspace>(ws);
- if (ws && !mws) {
- throw std::invalid_argument(
- "Workspace in MultiBG has a wrong type (not a MatrixWorkspace)");
- }
- m_workspace = mws;
-}
-/**
- * Sets workspaces to member functions. Constructs the data set for fitting.
- * @param slicing :: A map between member functions and workspaces or empty
- * string. Format:
- * "f0,Workspace0,i0;f1,Workspace1,i1;f2,Workspace2,i2;..."
- */
-void MultiBG::setSlicing(const std::string &slicing) {
- boost::shared_ptr<const API::MatrixWorkspace> mws = m_workspace;
-
- m_funIndex.resize(nFunctions());
-
- if (!slicing.empty()) {
- Mantid::API::Expression expr;
- expr.parse(slicing);
- // expr can be treated as a list even if it has only 1 term
- expr.toList(";");
- for (size_t i = 0; i < expr.size(); ++i) {
- const Mantid::API::Expression &e = expr[i];
- if (e.name() != "," || e.size() != 3) {
- // slicing has a wrong format - ignore it
- break;
- }
- try {
- std::string wsName = e[1].name();
- Mantid::API::MatrixWorkspace_sptr ws =
- boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
- Mantid::API::AnalysisDataService::Instance().retrieve(wsName));
-
- size_t iFun = boost::lexical_cast<size_t>(e[0].name().substr(1));
- size_t wi = boost::lexical_cast<size_t>(e[2].name());
- if (iFun >= nFunctions()) {
- throw std::invalid_argument("MultiBG::setWorkspace: function " +
- e[0].name() + " not found");
- }
- std::pair<boost::shared_ptr<const API::MatrixWorkspace>, size_t>
- spectrum = std::make_pair(ws, wi);
- m_funIndex[iFun].push_back(m_spectra.size());
- m_spectra.push_back(spectrum);
- IFitFunction *fun = dynamic_cast<IFitFunction *>(getFunction(iFun));
- if (!fun) {
- throw std::runtime_error(
- "IFitFunction expected but function of another type found");
- }
- fun->setWorkspace(ws, "WorkspaceIndex=" + e[2].name(), false);
- } catch (...) {
- break;
- }
- }
- }
-
- // examine the member functions and fill in the m_funIndex array
- for (size_t iFun = 0; iFun < nFunctions(); iFun++) {
- API::IFunctionMW *fun = dynamic_cast<API::IFunctionMW *>(getFunction(iFun));
- if (!fun) {
- throw std::runtime_error("MultiBG works with IFunctionMW only");
- }
- if (fun->getWorkspace()) {
- boost::shared_ptr<const API::MatrixWorkspace> iws =
- fun->getMatrixWorkspace();
- std::pair<boost::shared_ptr<const API::MatrixWorkspace>, size_t>
- spectrum = std::make_pair(iws, fun->getWorkspaceIndex());
- std::vector<std::pair<boost::shared_ptr<const API::MatrixWorkspace>,
- size_t>>::iterator it =
- std::find(m_spectra.begin(), m_spectra.end(), spectrum);
- size_t i;
- if (it == m_spectra.end()) {
- i = m_spectra.size();
- m_spectra.push_back(spectrum);
- } else {
- i = size_t(std::distance(it, m_spectra.begin()));
- }
- m_funIndex[iFun].push_back(i);
- // fun->setWorkspace(boost::static_pointer_cast<const
- // API::Workspace>(iws),slicing,false);
- }
- }
-
- // setWorkspace can be called by GUI when the function had not been properly
- // initialized
- if (m_spectra.empty()) {
- return;
- }
-
- // make functions without set workspace fit to all workspaces
- for (size_t iFun = 0; iFun < nFunctions(); iFun++) {
- std::vector<size_t> &index = m_funIndex[iFun];
- if (index.empty()) {
- index.resize(m_spectra.size());
- int i = 0;
- std::for_each(index.begin(), index.end(), _1 = var(i)++);
- IFitFunction *fun = dynamic_cast<IFitFunction *>(getFunction(iFun));
- if (!fun) {
- throw std::runtime_error(
- "IFitFunction expected but function of another type found");
- }
- fun->setWorkspace(m_spectra[0].first,
- "WorkspaceIndex=" + boost::lexical_cast<std::string>(
- m_spectra[0].second),
- false);
- }
- }
-
- // set dimensions and calculate ws's contribution to m_dataSize
- // IFunctionMW::setWorkspace(ws,slicing,false);
- // add other workspaces
- m_offset.resize(m_spectra.size(), 0);
- size_t nData = 0;
- for (size_t i = 0; i < m_spectra.size(); ++i) {
- mws = m_spectra[i].first;
- size_t n = mws->blocksize();
- m_offset[i] = nData;
- nData += static_cast<int>(n);
- }
-
- m_data.resize(nData);
- m_weights.resize(nData);
-
- //... fill in the data and the weights ...
-
- for (size_t i = 0; i < m_spectra.size(); ++i) {
- mws = m_spectra[i].first;
- size_t wi = m_spectra[i].second;
- const Mantid::MantidVec &Y = mws->readY(wi);
- const Mantid::MantidVec &E = mws->readE(wi);
- size_t j0 = m_offset[i];
- for (size_t j = 0; j < Y.size(); ++j) {
- m_data[j0 + j] = Y[j];
- double err = E[j];
- m_weights[j0 + j] = err != 0.0 ? 1. / err : 1.0;
- }
- }
-
- // std::cerr << "Workspace:\n";
- // std::for_each(&m_data[0],&m_data[0]+m_dataSize,std::cerr << _1 << '\n');
-}
-
-/**
- * Creates a workspace containing values calculated with this function. It takes
- * a workspace and ws index
- * of a spectrum which this function may have been fitted to. The output
- * contains the original spectrum
- * (wi = 0), the calculated values (ws = 1), and the difference between them (ws
- * = 2).
- * @param sd :: optional standard deviations of the parameters for calculating
- * the error bars
- * @return created workspase
- */
-boost::shared_ptr<API::WorkspaceGroup>
-MultiBG::createCalculatedWorkspaceGroup(const std::vector<double> &sd) {
- UNUSED_ARG(sd)
- return boost::shared_ptr<API::WorkspaceGroup>();
-}
-} // namespace API
-} // namespace Mantid
diff --git a/Framework/CurveFitting/src/ParDomain.cpp b/Framework/CurveFitting/src/ParDomain.cpp
index 7cd4fdfe9e2f07b684cc16b4edcb6b9df9145177..01a76765f051c38b7e694348961519a5dc7639d4 100644
--- a/Framework/CurveFitting/src/ParDomain.cpp
+++ b/Framework/CurveFitting/src/ParDomain.cpp
@@ -28,7 +28,8 @@ void ParDomain::getDomainAndValues(size_t i, API::FunctionDomain_sptr &domain,
* Calculate the value of a least squares cost function
* @param leastSquares :: The least squares cost func to calculate the value for
*/
-void ParDomain::leastSquaresVal(const CostFuncLeastSquares &leastSquares) {
+void ParDomain::leastSquaresVal(
+ const CostFunctions::CostFuncLeastSquares &leastSquares) {
const int n = static_cast<int>(getNDomains());
PARALLEL_FOR_NO_WSP_CHECK()
for (int i = 0; i < n; ++i) {
@@ -54,7 +55,7 @@ void ParDomain::leastSquaresVal(const CostFuncLeastSquares &leastSquares) {
* @param evalHessian :: Flag to evaluate the Hessian (second derivatives)
*/
void ParDomain::leastSquaresValDerivHessian(
- const CostFuncLeastSquares &leastSquares, bool evalDeriv,
+ const CostFunctions::CostFuncLeastSquares &leastSquares, bool evalDeriv,
bool evalHessian) {
const int n = static_cast<int>(getNDomains());
PARALLEL_SET_DYNAMIC(0);
diff --git a/Framework/CurveFitting/src/ParameterEstimator.cpp b/Framework/CurveFitting/src/ParameterEstimator.cpp
index b06ef9bf59e96e5ecb51b54e67e221a14b95be9a..93c46fd68fbb9ae0690fbf296458a5f3bb20b7c4 100644
--- a/Framework/CurveFitting/src/ParameterEstimator.cpp
+++ b/Framework/CurveFitting/src/ParameterEstimator.cpp
@@ -1,5 +1,5 @@
#include "MantidCurveFitting/ParameterEstimator.h"
-#include "MantidCurveFitting/SimpleChebfun.h"
+#include "MantidCurveFitting/Functions/SimpleChebfun.h"
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/FunctionDomain1D.h"
@@ -13,6 +13,8 @@ namespace Mantid {
namespace CurveFitting {
namespace ParameterEstimator {
+using namespace Functions;
+
/// The logger.
Kernel::Logger g_log("ParameterEstimator");
diff --git a/Framework/CurveFitting/src/SeqDomain.cpp b/Framework/CurveFitting/src/SeqDomain.cpp
index a36e808948d556a6e366f88551bcdf8fffe2d645..8a704c1745664d0961b48088642ba0fdffc410e6 100644
--- a/Framework/CurveFitting/src/SeqDomain.cpp
+++ b/Framework/CurveFitting/src/SeqDomain.cpp
@@ -68,7 +68,8 @@ SeqDomain *SeqDomain::create(API::IDomainCreator::DomainType type) {
* Calculate the value of a least squares cost function
* @param leastSquares :: The least squares cost func to calculate the value for
*/
-void SeqDomain::leastSquaresVal(const CostFuncLeastSquares &leastSquares) {
+void SeqDomain::leastSquaresVal(
+ const CostFunctions::CostFuncLeastSquares &leastSquares) {
API::FunctionDomain_sptr domain;
API::FunctionValues_sptr values;
const size_t n = getNDomains();
@@ -87,7 +88,7 @@ void SeqDomain::leastSquaresVal(const CostFuncLeastSquares &leastSquares) {
* Calculate the value of a least squares cost function
* @param rwp :: The RWP cost func to calculate the value for
*/
-void SeqDomain::rwpVal(const CostFuncRwp &rwp) {
+void SeqDomain::rwpVal(const CostFunctions::CostFuncRwp &rwp) {
API::FunctionDomain_sptr domain;
API::FunctionValues_sptr values;
const size_t n = getNDomains();
@@ -109,7 +110,7 @@ void SeqDomain::rwpVal(const CostFuncRwp &rwp) {
* @param evalHessian :: Flag to evaluate the Hessian (second derivatives)
*/
void SeqDomain::leastSquaresValDerivHessian(
- const CostFuncLeastSquares &leastSquares, bool evalDeriv,
+ const CostFunctions::CostFuncLeastSquares &leastSquares, bool evalDeriv,
bool evalHessian) {
API::FunctionDomain_sptr domain;
API::FunctionValues_sptr values;
@@ -131,8 +132,8 @@ void SeqDomain::leastSquaresValDerivHessian(
* @param evalDeriv :: Flag to evaluate the first derivatives
* @param evalHessian :: Flag to evaluate the Hessian (second derivatives)
*/
-void SeqDomain::rwpValDerivHessian(const CostFuncRwp &rwp, bool evalDeriv,
- bool evalHessian) {
+void SeqDomain::rwpValDerivHessian(const CostFunctions::CostFuncRwp &rwp,
+ bool evalDeriv, bool evalHessian) {
API::FunctionDomain_sptr domain;
API::FunctionValues_sptr values;
const size_t n = getNDomains();
diff --git a/Framework/CurveFitting/test/CalculateChiSquaredTest.h b/Framework/CurveFitting/test/Algorithms/CalculateChiSquaredTest.h
similarity index 99%
rename from Framework/CurveFitting/test/CalculateChiSquaredTest.h
rename to Framework/CurveFitting/test/Algorithms/CalculateChiSquaredTest.h
index 39fb96307a24056335df98216d80fd5641bf899b..fb29bda4b80738fd99f9a2d89838ab547850f606 100644
--- a/Framework/CurveFitting/test/CalculateChiSquaredTest.h
+++ b/Framework/CurveFitting/test/Algorithms/CalculateChiSquaredTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CalculateChiSquared.h"
+#include "MantidCurveFitting/Algorithms/CalculateChiSquared.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FunctionValues.h"
@@ -16,7 +16,7 @@
#include <boost/math/special_functions/fpclassify.hpp>
#include <limits>
-using Mantid::CurveFitting::CalculateChiSquared;
+using Mantid::CurveFitting::Algorithms::CalculateChiSquared;
using namespace Mantid;
using namespace Mantid::API;
diff --git a/Framework/CurveFitting/test/CalculateGammaBackgroundTest.h b/Framework/CurveFitting/test/Algorithms/CalculateGammaBackgroundTest.h
similarity index 98%
rename from Framework/CurveFitting/test/CalculateGammaBackgroundTest.h
rename to Framework/CurveFitting/test/Algorithms/CalculateGammaBackgroundTest.h
index d5d7dbf487ae5e8493ce8aba1bb577456be3b310..502479b5f363c09a4312cdab88c88b92e233be80 100644
--- a/Framework/CurveFitting/test/CalculateGammaBackgroundTest.h
+++ b/Framework/CurveFitting/test/Algorithms/CalculateGammaBackgroundTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CalculateGammaBackground.h"
-#include "ComptonProfileTestHelpers.h"
+#include "MantidCurveFitting/Algorithms/CalculateGammaBackground.h"
+#include "../Functions/ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::CalculateGammaBackground;
+using Mantid::CurveFitting::Algorithms::CalculateGammaBackground;
class CalculateGammaBackgroundTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/CalculateMSVesuvioTest.h b/Framework/CurveFitting/test/Algorithms/CalculateMSVesuvioTest.h
similarity index 98%
rename from Framework/CurveFitting/test/CalculateMSVesuvioTest.h
rename to Framework/CurveFitting/test/Algorithms/CalculateMSVesuvioTest.h
index 33f7f30b77a0252c38d2c692e8a529ea52de9d9f..f6eefbb0e35fd18579c0e7b04b0cc30398b88512 100644
--- a/Framework/CurveFitting/test/CalculateMSVesuvioTest.h
+++ b/Framework/CurveFitting/test/Algorithms/CalculateMSVesuvioTest.h
@@ -5,7 +5,7 @@
#include "boost/version.hpp"
-#include "MantidCurveFitting/CalculateMSVesuvio.h"
+#include "MantidCurveFitting/Algorithms/CalculateMSVesuvio.h"
#include "MantidGeometry/Instrument/Goniometer.h"
#include "MantidGeometry/Instrument/Detector.h"
#include "MantidGeometry/Objects/ShapeFactory.h"
@@ -13,9 +13,9 @@
#include "MantidTestHelpers/ComponentCreationHelper.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-#include "ComptonProfileTestHelpers.h"
+#include "../Functions/ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::CalculateMSVesuvio;
+using Mantid::CurveFitting::Algorithms::CalculateMSVesuvio;
class CalculateMSVesuvioTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/ConvertToYSpaceTest.h b/Framework/CurveFitting/test/Algorithms/ConvertToYSpaceTest.h
similarity index 96%
rename from Framework/CurveFitting/test/ConvertToYSpaceTest.h
rename to Framework/CurveFitting/test/Algorithms/ConvertToYSpaceTest.h
index a3fed78b8baaa7c85c3ea0b918de70b4c4cc7fa3..839a9202dcdaa6ca483a5d439f97522d1dba0471 100644
--- a/Framework/CurveFitting/test/ConvertToYSpaceTest.h
+++ b/Framework/CurveFitting/test/Algorithms/ConvertToYSpaceTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ConvertToYSpace.h"
-#include "ComptonProfileTestHelpers.h"
+#include "MantidCurveFitting/Algorithms/ConvertToYSpace.h"
+#include "../Functions/ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::ConvertToYSpace;
+using Mantid::CurveFitting::Algorithms::ConvertToYSpace;
class ConvertToYSpaceTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/ConvolveWorkspacesTest.h b/Framework/CurveFitting/test/Algorithms/ConvolveWorkspacesTest.h
similarity index 92%
rename from Framework/CurveFitting/test/ConvolveWorkspacesTest.h
rename to Framework/CurveFitting/test/Algorithms/ConvolveWorkspacesTest.h
index 0e748fa7ad2ea2d13e197185366269ced7bc6c73..fe9dc90f597485b84dc5257466b1ec3f8a180aed 100644
--- a/Framework/CurveFitting/test/ConvolveWorkspacesTest.h
+++ b/Framework/CurveFitting/test/Algorithms/ConvolveWorkspacesTest.h
@@ -5,8 +5,8 @@
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/AnalysisDataService.h"
-#include "MantidCurveFitting/ConvolveWorkspaces.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/ConvolveWorkspaces.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/TableRow.h"
@@ -15,12 +15,13 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
#include "MantidTestHelpers/FakeObjects.h"
-#include "MantidCurveFitting/Gaussian.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
class ConvolveWorkspacesTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/EstimatePeakErrorsTest.h b/Framework/CurveFitting/test/Algorithms/EstimatePeakErrorsTest.h
similarity index 98%
rename from Framework/CurveFitting/test/EstimatePeakErrorsTest.h
rename to Framework/CurveFitting/test/Algorithms/EstimatePeakErrorsTest.h
index 3ea8b1328cfa5098cdffdc2af7219645d00b2a4f..04baa92e562d387740477077d681853d54945792 100644
--- a/Framework/CurveFitting/test/EstimatePeakErrorsTest.h
+++ b/Framework/CurveFitting/test/Algorithms/EstimatePeakErrorsTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/EstimatePeakErrors.h"
+#include "MantidCurveFitting/Algorithms/EstimatePeakErrors.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
@@ -19,6 +19,7 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace WorkspaceCreationHelper;
class EstimatePeakErrorsTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/EvaluateFunctionTest.h b/Framework/CurveFitting/test/Algorithms/EvaluateFunctionTest.h
similarity index 98%
rename from Framework/CurveFitting/test/EvaluateFunctionTest.h
rename to Framework/CurveFitting/test/Algorithms/EvaluateFunctionTest.h
index 22e8a5aac0777d3003c7215b26ff7a1eb1f1f18f..cf8b80f4d991cbd76fe4a197c039c5eea0e15e6f 100644
--- a/Framework/CurveFitting/test/EvaluateFunctionTest.h
+++ b/Framework/CurveFitting/test/Algorithms/EvaluateFunctionTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/EvaluateFunction.h"
+#include "MantidCurveFitting/Algorithms/EvaluateFunction.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FunctionFactory.h"
@@ -15,7 +15,7 @@
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidKernel/EmptyValues.h"
-using Mantid::CurveFitting::EvaluateFunction;
+using Mantid::CurveFitting::Algorithms::EvaluateFunction;
using namespace Mantid;
using namespace Mantid::API;
diff --git a/Framework/CurveFitting/test/FitPowderDiffPeaksTest.h b/Framework/CurveFitting/test/Algorithms/FitPowderDiffPeaksTest.h
similarity index 99%
rename from Framework/CurveFitting/test/FitPowderDiffPeaksTest.h
rename to Framework/CurveFitting/test/Algorithms/FitPowderDiffPeaksTest.h
index ffc3aa2b5be75b21602fda724cfd7ee954fd182e..2eea28afa5bc7c29710dadd82f362ece62d132fb 100644
--- a/Framework/CurveFitting/test/FitPowderDiffPeaksTest.h
+++ b/Framework/CurveFitting/test/Algorithms/FitPowderDiffPeaksTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/FitPowderDiffPeaks.h"
+#include "MantidCurveFitting/Algorithms/FitPowderDiffPeaks.h"
#include "MantidDataHandling/LoadAscii.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -11,7 +11,7 @@
#include "MantidAPI/TableRow.h"
#include <fstream>
-using Mantid::CurveFitting::FitPowderDiffPeaks;
+using Mantid::CurveFitting::Algorithms::FitPowderDiffPeaks;
using namespace std;
using namespace Mantid;
@@ -32,7 +32,7 @@ public:
/** Test init
*/
void test_Init() {
- CurveFitting::FitPowderDiffPeaks alg;
+ Algorithms::FitPowderDiffPeaks alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
diff --git a/Framework/CurveFitting/test/FitTest.h b/Framework/CurveFitting/test/Algorithms/FitTest.h
similarity index 98%
rename from Framework/CurveFitting/test/FitTest.h
rename to Framework/CurveFitting/test/Algorithms/FitTest.h
index d4ce164b49008fd56dfc082016524bab1e9a7743..94b27088b284b5188b077158fe2d7ab871c110f7 100644
--- a/Framework/CurveFitting/test/FitTest.h
+++ b/Framework/CurveFitting/test/Algorithms/FitTest.h
@@ -7,11 +7,12 @@
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/IFuncMinimizer.h"
#include "MantidAPI/FuncMinimizerFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "FitTestHelpers.h"
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::API;
namespace {
diff --git a/Framework/CurveFitting/test/FitTestHelpers.h b/Framework/CurveFitting/test/Algorithms/FitTestHelpers.h
similarity index 100%
rename from Framework/CurveFitting/test/FitTestHelpers.h
rename to Framework/CurveFitting/test/Algorithms/FitTestHelpers.h
diff --git a/Framework/CurveFitting/test/LeBailFitTest.h b/Framework/CurveFitting/test/Algorithms/LeBailFitTest.h
similarity index 99%
rename from Framework/CurveFitting/test/LeBailFitTest.h
rename to Framework/CurveFitting/test/Algorithms/LeBailFitTest.h
index 0a680a21882ea35e5dd8b40b6be94e28635dc523..363ef9c91010ca6812518c889f784cbca4f3f335 100644
--- a/Framework/CurveFitting/test/LeBailFitTest.h
+++ b/Framework/CurveFitting/test/Algorithms/LeBailFitTest.h
@@ -5,7 +5,7 @@
#include "MantidKernel/Timer.h"
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/LeBailFit.h"
+#include "MantidCurveFitting/Algorithms/LeBailFit.h"
#include "MantidDataHandling/LoadAscii.h"
#include <fstream>
@@ -28,7 +28,7 @@ using namespace WorkspaceCreationHelper;
using namespace std;
-using Mantid::CurveFitting::LeBailFit;
+using Mantid::CurveFitting::Algorithms::LeBailFit;
class LeBailFitTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/LeBailFunctionTest.h b/Framework/CurveFitting/test/Algorithms/LeBailFunctionTest.h
similarity index 99%
rename from Framework/CurveFitting/test/LeBailFunctionTest.h
rename to Framework/CurveFitting/test/Algorithms/LeBailFunctionTest.h
index c4f22cd43abfd1af0e8d693dfe58b3d07a6968f8..3c0fbdc897d010019117c62fe14533fb34c997a9 100644
--- a/Framework/CurveFitting/test/LeBailFunctionTest.h
+++ b/Framework/CurveFitting/test/Algorithms/LeBailFunctionTest.h
@@ -7,10 +7,11 @@
#include "MantidKernel/System.h"
#include <fstream>
-#include "MantidCurveFitting/LeBailFunction.h"
+#include "MantidCurveFitting/Algorithms/LeBailFunction.h"
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::API;
using namespace std;
diff --git a/Framework/CurveFitting/test/NormaliseByPeakAreaTest.h b/Framework/CurveFitting/test/Algorithms/NormaliseByPeakAreaTest.h
similarity index 98%
rename from Framework/CurveFitting/test/NormaliseByPeakAreaTest.h
rename to Framework/CurveFitting/test/Algorithms/NormaliseByPeakAreaTest.h
index 42e26ed2efc5fbadba4d4a247a2dcb7b48351e0d..30d27a5a9b32834fae81aba7fc65f4d3fd6e56a3 100644
--- a/Framework/CurveFitting/test/NormaliseByPeakAreaTest.h
+++ b/Framework/CurveFitting/test/Algorithms/NormaliseByPeakAreaTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/NormaliseByPeakArea.h"
-#include "ComptonProfileTestHelpers.h"
+#include "MantidCurveFitting/Algorithms/NormaliseByPeakArea.h"
+#include "../Functions/ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::NormaliseByPeakArea;
+using Mantid::CurveFitting::Algorithms::NormaliseByPeakArea;
class NormaliseByPeakAreaTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/PawleyFitTest.h b/Framework/CurveFitting/test/Algorithms/PawleyFitTest.h
similarity index 98%
rename from Framework/CurveFitting/test/PawleyFitTest.h
rename to Framework/CurveFitting/test/Algorithms/PawleyFitTest.h
index 3c99605f3d889689ca20cd3a8f375a4c09f0a93f..1766df896cd2ddba7d2486f7210f2496a25dd0fd 100644
--- a/Framework/CurveFitting/test/PawleyFitTest.h
+++ b/Framework/CurveFitting/test/Algorithms/PawleyFitTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PawleyFit.h"
+#include "MantidCurveFitting/Algorithms/PawleyFit.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/TableRow.h"
@@ -11,8 +11,8 @@
#include "MantidKernel/V3D.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-using Mantid::CurveFitting::PawleyFit;
-using Mantid::CurveFitting::V3DFromHKLColumnExtractor;
+using Mantid::CurveFitting::Algorithms::PawleyFit;
+using Mantid::CurveFitting::Algorithms::V3DFromHKLColumnExtractor;
using namespace Mantid::API;
using namespace Mantid::Kernel;
diff --git a/Framework/CurveFitting/test/PlotPeakByLogValueTest.h b/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
similarity index 99%
rename from Framework/CurveFitting/test/PlotPeakByLogValueTest.h
rename to Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
index 03947a4ae12f68f9ef830eeab19346b35e5fa4f7..9fb02f3eff1711f19136fd8add1b58a3658e50b4 100644
--- a/Framework/CurveFitting/test/PlotPeakByLogValueTest.h
+++ b/Framework/CurveFitting/test/Algorithms/PlotPeakByLogValueTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PlotPeakByLogValue.h"
+#include "MantidCurveFitting/Algorithms/PlotPeakByLogValue.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
@@ -26,6 +26,7 @@ using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
typedef Mantid::DataObjects::Workspace2D_sptr WS_type;
typedef Mantid::DataObjects::TableWorkspace_sptr TWS_type;
diff --git a/Framework/CurveFitting/test/RefinePowderInstrumentParameters3Test.h b/Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParameters3Test.h
similarity index 99%
rename from Framework/CurveFitting/test/RefinePowderInstrumentParameters3Test.h
rename to Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParameters3Test.h
index a77678e9ebccb2dae4462d4d8d0611b4fc1c4f26..dedf1a1c02d6251cc27152f26dde9d4820c39563 100644
--- a/Framework/CurveFitting/test/RefinePowderInstrumentParameters3Test.h
+++ b/Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParameters3Test.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/RefinePowderInstrumentParameters3.h"
+#include "MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters3.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -12,7 +12,7 @@
#include <fstream>
-using Mantid::CurveFitting::RefinePowderInstrumentParameters3;
+using Mantid::CurveFitting::Algorithms::RefinePowderInstrumentParameters3;
using namespace Mantid;
using namespace Mantid::DataObjects;
diff --git a/Framework/CurveFitting/test/RefinePowderInstrumentParametersTest.h b/Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParametersTest.h
similarity index 98%
rename from Framework/CurveFitting/test/RefinePowderInstrumentParametersTest.h
rename to Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParametersTest.h
index 421e4728d18724aff5a18509d3079997d7af5c81..fccdacb20db30175b3a3fa7c457b9ca9d9cbff43 100644
--- a/Framework/CurveFitting/test/RefinePowderInstrumentParametersTest.h
+++ b/Framework/CurveFitting/test/Algorithms/RefinePowderInstrumentParametersTest.h
@@ -3,14 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/RefinePowderInstrumentParameters.h"
+#include "MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include <fstream>
-using Mantid::CurveFitting::RefinePowderInstrumentParameters;
+using Mantid::CurveFitting::Algorithms::RefinePowderInstrumentParameters;
using namespace Mantid;
using namespace Mantid::Kernel;
using namespace Mantid::API;
@@ -153,7 +153,7 @@ public:
geomparamws);
// 2. Set up algorithm parameters
- CurveFitting::RefinePowderInstrumentParameters alg;
+ RefinePowderInstrumentParameters alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
@@ -236,7 +236,7 @@ public:
geomparamws);
// 2. Set up algorithm parameters
- CurveFitting::RefinePowderInstrumentParameters alg;
+ RefinePowderInstrumentParameters alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
diff --git a/Framework/CurveFitting/test/SeqDomainSpectrumCreatorTest.h b/Framework/CurveFitting/test/Algorithms/SeqDomainSpectrumCreatorTest.h
similarity index 99%
rename from Framework/CurveFitting/test/SeqDomainSpectrumCreatorTest.h
rename to Framework/CurveFitting/test/Algorithms/SeqDomainSpectrumCreatorTest.h
index 4cf5c605467e89f40040a1d00da1b3cea7d9b196..077ca4fd6b7d0e7eaf1743731055c1fa0de27f03 100644
--- a/Framework/CurveFitting/test/SeqDomainSpectrumCreatorTest.h
+++ b/Framework/CurveFitting/test/Algorithms/SeqDomainSpectrumCreatorTest.h
@@ -10,7 +10,7 @@
#include "MantidAPI/IFunction1DSpectrum.h"
#include "MantidAPI/ParamFunction.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/FunctionFactory.h"
@@ -20,6 +20,7 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
class SeqDomainSpectrumCreatorTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/SplineBackgroundTest.h b/Framework/CurveFitting/test/Algorithms/SplineBackgroundTest.h
similarity index 96%
rename from Framework/CurveFitting/test/SplineBackgroundTest.h
rename to Framework/CurveFitting/test/Algorithms/SplineBackgroundTest.h
index 935ed917426390465f5b952deb4f385aba20c967..4608bff0880d02351a3143f238691427d8a7896f 100644
--- a/Framework/CurveFitting/test/SplineBackgroundTest.h
+++ b/Framework/CurveFitting/test/Algorithms/SplineBackgroundTest.h
@@ -2,7 +2,7 @@
#define SPLINEBACKGROUNDTEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/SplineBackground.h"
+#include "MantidCurveFitting/Algorithms/SplineBackground.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/MatrixWorkspace.h"
diff --git a/Framework/CurveFitting/test/SplineInterpolationTest.h b/Framework/CurveFitting/test/Algorithms/SplineInterpolationTest.h
similarity index 97%
rename from Framework/CurveFitting/test/SplineInterpolationTest.h
rename to Framework/CurveFitting/test/Algorithms/SplineInterpolationTest.h
index 43b5adc90e74c081932edbe431ce6a50dcd11081..e55dc97c987ca523d7b8ac445a20e1c9ea1e0f2e 100644
--- a/Framework/CurveFitting/test/SplineInterpolationTest.h
+++ b/Framework/CurveFitting/test/Algorithms/SplineInterpolationTest.h
@@ -3,12 +3,12 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/SplineInterpolation.h"
+#include "MantidCurveFitting/Algorithms/SplineInterpolation.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
#include "MantidAPI/NumericAxis.h"
#include "MantidAPI/TextAxis.h"
-using Mantid::CurveFitting::SplineInterpolation;
+using Mantid::CurveFitting::Algorithms::SplineInterpolation;
using namespace Mantid::API;
class SplineInterpolationTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/SplineSmoothingTest.h b/Framework/CurveFitting/test/Algorithms/SplineSmoothingTest.h
similarity index 96%
rename from Framework/CurveFitting/test/SplineSmoothingTest.h
rename to Framework/CurveFitting/test/Algorithms/SplineSmoothingTest.h
index cc28ba8c4361c88f6d91c53231d3120d033fdc9b..bc88af1750e9c0de3be3a6940fd5c9667859b100 100644
--- a/Framework/CurveFitting/test/SplineSmoothingTest.h
+++ b/Framework/CurveFitting/test/Algorithms/SplineSmoothingTest.h
@@ -4,9 +4,9 @@
#include <cxxtest/TestSuite.h>
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-#include "MantidCurveFitting/SplineSmoothing.h"
+#include "MantidCurveFitting/Algorithms/SplineSmoothing.h"
-using Mantid::CurveFitting::SplineSmoothing;
+using Mantid::CurveFitting::Algorithms::SplineSmoothing;
class SplineSmoothingTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/CompositeFunctionTest.h b/Framework/CurveFitting/test/CompositeFunctionTest.h
index 9ee2946430933592a048a59e1f179eee728fcb8a..62a5cc3a1e5a15205b4504fafbb040b3f1543b75 100644
--- a/Framework/CurveFitting/test/CompositeFunctionTest.h
+++ b/Framework/CurveFitting/test/CompositeFunctionTest.h
@@ -5,7 +5,7 @@
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
@@ -13,12 +13,12 @@
#include "MantidKernel/ConfigService.h"
#include "MantidAPI/FrameworkManager.h"
-#include "MantidCurveFitting/SimplexMinimizer.h"
-#include "MantidCurveFitting/BFGS_Minimizer.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
-#include "MantidCurveFitting/ExpDecay.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidCurveFitting/GSLJacobian.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -28,6 +28,10 @@
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::FuncMinimisers;
+using namespace Mantid::CurveFitting::CostFunctions;
typedef Mantid::DataObjects::Workspace2D_sptr WS_type;
typedef Mantid::DataObjects::TableWorkspace_sptr TWS_type;
diff --git a/Framework/CurveFitting/test/BoundaryConstraintTest.h b/Framework/CurveFitting/test/Constraints/BoundaryConstraintTest.h
similarity index 95%
rename from Framework/CurveFitting/test/BoundaryConstraintTest.h
rename to Framework/CurveFitting/test/Constraints/BoundaryConstraintTest.h
index e23d1847af1eadd572844b8ece762178eb6588c5..6e340def5735e36eb437735f2ef22b333dbe501e 100644
--- a/Framework/CurveFitting/test/BoundaryConstraintTest.h
+++ b/Framework/CurveFitting/test/Constraints/BoundaryConstraintTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Lorentzian.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/Lorentzian.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -15,6 +15,8 @@
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Constraints;
class BoundaryConstraintTest : public CxxTest::TestSuite {
public:
@@ -39,7 +41,7 @@ public:
TS_ASSERT(bc.hasUpper());
BoundaryConstraint bc2;
- ;
+
bc2.reset(&gaus, 2);
bc2.setBounds(10, 20);
diff --git a/Framework/CurveFitting/test/CostFuncUnweightedLeastSquaresTest.h b/Framework/CurveFitting/test/CostFunctions/CostFuncUnweightedLeastSquaresTest.h
similarity index 95%
rename from Framework/CurveFitting/test/CostFuncUnweightedLeastSquaresTest.h
rename to Framework/CurveFitting/test/CostFunctions/CostFuncUnweightedLeastSquaresTest.h
index 7604eac76910549eb1946377693e565aed930d03..6b79954f49eac2fdc6c250fb04dec93e158ad58b 100644
--- a/Framework/CurveFitting/test/CostFuncUnweightedLeastSquaresTest.h
+++ b/Framework/CurveFitting/test/CostFunctions/CostFuncUnweightedLeastSquaresTest.h
@@ -5,11 +5,11 @@
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/CostFuncUnweightedLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncUnweightedLeastSquares.h"
#include <boost/make_shared.hpp>
-using Mantid::CurveFitting::CostFuncUnweightedLeastSquares;
+using Mantid::CurveFitting::CostFunctions::CostFuncUnweightedLeastSquares;
using namespace Mantid::API;
class CostFuncUnweightedLeastSquaresTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/LeastSquaresTest.h b/Framework/CurveFitting/test/CostFunctions/LeastSquaresTest.h
similarity index 94%
rename from Framework/CurveFitting/test/LeastSquaresTest.h
rename to Framework/CurveFitting/test/CostFunctions/LeastSquaresTest.h
index 3f49a8cb1103c33ff00f0a512d4b4bd3f1a26417..425d34058f918ca2c14b4cd84a90a9fe86ded20b 100644
--- a/Framework/CurveFitting/test/LeastSquaresTest.h
+++ b/Framework/CurveFitting/test/CostFunctions/LeastSquaresTest.h
@@ -3,24 +3,27 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/CostFuncRwp.h"
-#include "MantidCurveFitting/SimplexMinimizer.h"
-#include "MantidCurveFitting/BFGS_Minimizer.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
-#include "MantidCurveFitting/ExpDecay.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncRwp.h"
+#include "MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/Gaussian.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
#include <gsl/gsl_blas.h>
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class LeastSquaresTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/FitMWTest.h b/Framework/CurveFitting/test/FitMWTest.h
index 78782f80d0678cdc1fd95ae41b4ca82ae54c3d68..00f938a976097564634c962ab59e1d74bf45e6a0 100644
--- a/Framework/CurveFitting/test/FitMWTest.h
+++ b/Framework/CurveFitting/test/FitMWTest.h
@@ -5,13 +5,13 @@
#include "MantidTestHelpers/FakeObjects.h"
#include "MantidCurveFitting/FitMW.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/UserFunction.h"
-#include "MantidCurveFitting/ExpDecay.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidCurveFitting/SeqDomain.h"
-#include "MantidCurveFitting/Convolution.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Polynomial.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/FrameworkManager.h"
@@ -29,6 +29,8 @@
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class FitMWTest : public CxxTest::TestSuite {
@@ -51,7 +53,7 @@ public:
fun->setParameter("Height", 1.);
fun->setParameter("Lifetime", 1.0);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setProperty("Function", fun);
@@ -159,7 +161,7 @@ public:
fun->setParameter("Height", 1.);
fun->setParameter("Lifetime", 1.);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setProperty("Function", fun);
diff --git a/Framework/CurveFitting/test/BFGSTest.h b/Framework/CurveFitting/test/FuncMinimizers/BFGSTest.h
similarity index 94%
rename from Framework/CurveFitting/test/BFGSTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/BFGSTest.h
index f0c03cb3e3792a1e600f9eaacdb761c0d10fcacf..0343e6677710560c70b4180980c6f01dfda4cbb2 100644
--- a/Framework/CurveFitting/test/BFGSTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/BFGSTest.h
@@ -3,13 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/BFGS_Minimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/BFGS_Minimizer.h"
#include "MantidAPI/ICostFunction.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
using namespace Mantid::API;
class BFGSTestCostFunction : public ICostFunction {
diff --git a/Framework/CurveFitting/test/DampingMinimizerTest.h b/Framework/CurveFitting/test/FuncMinimizers/DampingMinimizerTest.h
similarity index 95%
rename from Framework/CurveFitting/test/DampingMinimizerTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/DampingMinimizerTest.h
index 61ce4aa560fc51076541d6c0ea00f39367759c01..1e8d08c13f590156ab50f463a09e6ea4e3714271 100644
--- a/Framework/CurveFitting/test/DampingMinimizerTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/DampingMinimizerTest.h
@@ -3,17 +3,21 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/DampingMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/DampingMinimizer.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Constraints;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class DampingMinimizerTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/FABADAMinimizerTest.h b/Framework/CurveFitting/test/FuncMinimizers/FABADAMinimizerTest.h
similarity index 94%
rename from Framework/CurveFitting/test/FABADAMinimizerTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/FABADAMinimizerTest.h
index 29b304014ebc1c720151f74adc0cfdae6d961be1..73f6508f42790dfc83079c5dcf4796ff14c0bf6b 100644
--- a/Framework/CurveFitting/test/FABADAMinimizerTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/FABADAMinimizerTest.h
@@ -3,20 +3,22 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/FABADAMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/FABADAMinimizer.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/AlgorithmManager.h"
-#include "MantidCurveFitting/ExpDecay.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
#include "MantidKernel/PropertyManager.h"
#include "MantidTestHelpers/FakeObjects.h"
#include "MantidKernel/Exception.h"
-using Mantid::CurveFitting::FABADAMinimizer;
+using Mantid::CurveFitting::FuncMinimisers::FABADAMinimizer;
using namespace Mantid::API;
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
class FABADAMinimizerTest : public CxxTest::TestSuite {
public:
@@ -34,7 +36,7 @@ public:
fun->setParameter("Height", 8.);
fun->setParameter("Lifetime", 1.0);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setRethrows(true);
@@ -143,7 +145,7 @@ public:
fun->setParameter("Height", 1.);
fun->setParameter("Lifetime", 1.0);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setRethrows(true);
diff --git a/Framework/CurveFitting/test/FRConjugateGradientTest.h b/Framework/CurveFitting/test/FuncMinimizers/FRConjugateGradientTest.h
similarity index 94%
rename from Framework/CurveFitting/test/FRConjugateGradientTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/FRConjugateGradientTest.h
index 34028a02dd1213cb225a4deb8173f35f9de845e1..12629afb2dbd101ef72e3d9cbea61a74c1c13698 100644
--- a/Framework/CurveFitting/test/FRConjugateGradientTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/FRConjugateGradientTest.h
@@ -3,13 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/FRConjugateGradientMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/FRConjugateGradientMinimizer.h"
#include "MantidAPI/ICostFunction.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
using namespace Mantid::API;
class FRConjugateGradientTestCostFunction : public ICostFunction {
diff --git a/Framework/CurveFitting/test/LevenbergMarquardtMDTest.h b/Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtMDTest.h
similarity index 95%
rename from Framework/CurveFitting/test/LevenbergMarquardtMDTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtMDTest.h
index 93ae0e5dd0a8c4fbe019e61fd35211a07ad5aadd..edaeec639e087ddf475094d1d23c41b66cccb0ea 100644
--- a/Framework/CurveFitting/test/LevenbergMarquardtMDTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtMDTest.h
@@ -3,17 +3,21 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Constraints;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class LevenbergMarquardtMDTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/LevenbergMarquardtTest.h b/Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtTest.h
similarity index 95%
rename from Framework/CurveFitting/test/LevenbergMarquardtTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtTest.h
index 30a690d98b9fd530976cf180cb1616a2461c7a0b..359712feb5f798bacd3398eb7e15d1193dac7f58 100644
--- a/Framework/CurveFitting/test/LevenbergMarquardtTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/LevenbergMarquardtTest.h
@@ -3,17 +3,21 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/LevenbergMarquardtMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMinimizer.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Constraints;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class LevenbergMarquardtTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/PRConjugateGradientTest.h b/Framework/CurveFitting/test/FuncMinimizers/PRConjugateGradientTest.h
similarity index 94%
rename from Framework/CurveFitting/test/PRConjugateGradientTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/PRConjugateGradientTest.h
index b5a8a910e1492319ec72a65f5f6d2d8a0e7d2cdd..6f250d93aa4a3ff039555979831aac6ca411556b 100644
--- a/Framework/CurveFitting/test/PRConjugateGradientTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/PRConjugateGradientTest.h
@@ -3,13 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PRConjugateGradientMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/PRConjugateGradientMinimizer.h"
#include "MantidAPI/ICostFunction.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
using namespace Mantid::API;
class PRConjugateGradientTestCostFunction : public ICostFunction {
diff --git a/Framework/CurveFitting/test/SimplexTest.h b/Framework/CurveFitting/test/FuncMinimizers/SimplexTest.h
similarity index 93%
rename from Framework/CurveFitting/test/SimplexTest.h
rename to Framework/CurveFitting/test/FuncMinimizers/SimplexTest.h
index 95811e161315ccb4ef59c832762cc5b792392a31..6edf55ccb183f24d904837fcf25fcd9021132fc0 100644
--- a/Framework/CurveFitting/test/SimplexTest.h
+++ b/Framework/CurveFitting/test/FuncMinimizers/SimplexTest.h
@@ -3,13 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/SimplexMinimizer.h"
+#include "MantidCurveFitting/FuncMinimizers/SimplexMinimizer.h"
#include "MantidAPI/ICostFunction.h"
#include <sstream>
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::FuncMinimisers;
using namespace Mantid::API;
class SimplexTestCostFunction : public ICostFunction {
diff --git a/Framework/CurveFitting/test/FunctionParameterDecoratorFitTest.h b/Framework/CurveFitting/test/FunctionParameterDecoratorFitTest.h
index c7f60ebf936da427adc02bfe5a1b4a01c6b27288..699b840af67808e1503a8155ce93469c96282a33 100644
--- a/Framework/CurveFitting/test/FunctionParameterDecoratorFitTest.h
+++ b/Framework/CurveFitting/test/FunctionParameterDecoratorFitTest.h
@@ -9,13 +9,14 @@
#include "MantidAPI/FunctionParameterDecorator.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include <boost/make_shared.hpp>
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
class FunctionParameterDecoratorFitTest;
diff --git a/Framework/CurveFitting/test/AbragamTest.h b/Framework/CurveFitting/test/Functions/AbragamTest.h
similarity index 91%
rename from Framework/CurveFitting/test/AbragamTest.h
rename to Framework/CurveFitting/test/Functions/AbragamTest.h
index 342eb7360e7b6942a94cd021848e1f6d4e67c333..387926477b7d2f73b443265d2ce80dfafbcd571c 100644
--- a/Framework/CurveFitting/test/AbragamTest.h
+++ b/Framework/CurveFitting/test/Functions/AbragamTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Abragam.h"
+#include "MantidCurveFitting/Functions/Abragam.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +19,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
class AbragamTest : public CxxTest::TestSuite {
@@ -54,7 +56,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/BSplineTest.h b/Framework/CurveFitting/test/Functions/BSplineTest.h
similarity index 96%
rename from Framework/CurveFitting/test/BSplineTest.h
rename to Framework/CurveFitting/test/Functions/BSplineTest.h
index b71c15a4ae356f0c2b8cc7afba484930f1b84e53..a504230e745db1cdc97040a74e634ad084a9351a 100644
--- a/Framework/CurveFitting/test/BSplineTest.h
+++ b/Framework/CurveFitting/test/Functions/BSplineTest.h
@@ -1,10 +1,10 @@
#ifndef BSPLINETEST_H_
#define BSPLINETEST_H_
-#include "MantidCurveFitting/BSpline.h"
-#include "MantidCurveFitting/UserFunction.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/Functions/BSpline.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
#include "MantidAPI/FunctionFactory.h"
@@ -15,6 +15,8 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::CostFunctions;
class BSplineTest : public CxxTest::TestSuite {
public:
@@ -344,7 +346,7 @@ private:
boost::shared_ptr<CostFuncLeastSquares> costFun(new CostFuncLeastSquares);
costFun->setFittingFunction(bsp, domain, values);
- LevenbergMarquardtMDMinimizer s;
+ FuncMinimisers::LevenbergMarquardtMDMinimizer s;
s.initialize(costFun);
TS_ASSERT(s.minimize());
return costFun->val();
diff --git a/Framework/CurveFitting/test/BackToBackExponentialTest.h b/Framework/CurveFitting/test/Functions/BackToBackExponentialTest.h
similarity index 97%
rename from Framework/CurveFitting/test/BackToBackExponentialTest.h
rename to Framework/CurveFitting/test/Functions/BackToBackExponentialTest.h
index bd30cef1e0906c2d5374fcd99603e57df1b73c4e..764131715ec7f1abb6e84a8ea97b90920846d6a7 100644
--- a/Framework/CurveFitting/test/BackToBackExponentialTest.h
+++ b/Framework/CurveFitting/test/Functions/BackToBackExponentialTest.h
@@ -3,13 +3,13 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/BackToBackExponential.h"
+#include "MantidCurveFitting/Functions/BackToBackExponential.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
#include <cmath>
-using Mantid::CurveFitting::BackToBackExponential;
+using Mantid::CurveFitting::Functions::BackToBackExponential;
namespace {
/**
diff --git a/Framework/CurveFitting/test/BivariateNormalTest.h b/Framework/CurveFitting/test/Functions/BivariateNormalTest.h
similarity index 98%
rename from Framework/CurveFitting/test/BivariateNormalTest.h
rename to Framework/CurveFitting/test/Functions/BivariateNormalTest.h
index 9645cd95927d825c4400c83f291f898497ae93a9..c169d9787aa554cdd55bc0a05c1333a376ec90a9 100644
--- a/Framework/CurveFitting/test/BivariateNormalTest.h
+++ b/Framework/CurveFitting/test/Functions/BivariateNormalTest.h
@@ -9,7 +9,7 @@
#define BIVARIATENORMALTEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/BivariateNormal.h"
+#include "MantidCurveFitting/Functions/BivariateNormal.h"
#include "MantidKernel/Matrix.h"
#include "MantidAPI/Jacobian.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -31,6 +31,7 @@ using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
/**
* Used for testing only
*/
diff --git a/Framework/CurveFitting/test/Bk2BkExpConvPVTest.h b/Framework/CurveFitting/test/Functions/Bk2BkExpConvPVTest.h
similarity index 96%
rename from Framework/CurveFitting/test/Bk2BkExpConvPVTest.h
rename to Framework/CurveFitting/test/Functions/Bk2BkExpConvPVTest.h
index 46cb015c0f921e2af7a4bcf3accee7348be2bafb..95fe716309da8ae2f705171fdcb9efde9d0f810e 100644
--- a/Framework/CurveFitting/test/Bk2BkExpConvPVTest.h
+++ b/Framework/CurveFitting/test/Functions/Bk2BkExpConvPVTest.h
@@ -6,13 +6,15 @@
#include "MantidKernel/System.h"
#include <fstream>
-#include "MantidCurveFitting/Bk2BkExpConvPV.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/Bk2BkExpConvPV.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class Bk2BkExpConvPVTest : public CxxTest::TestSuite {
@@ -156,7 +158,7 @@ public:
<< std::endl;
// 3. Set fit
- Fit fitalg;
+ Algorithms::Fit fitalg;
fitalg.initialize();
TS_ASSERT(fitalg.isInitialized());
diff --git a/Framework/CurveFitting/test/ChebfunBaseTest.h b/Framework/CurveFitting/test/Functions/ChebfunBaseTest.h
similarity index 98%
rename from Framework/CurveFitting/test/ChebfunBaseTest.h
rename to Framework/CurveFitting/test/Functions/ChebfunBaseTest.h
index 0d2a8fb5fefc059bcf34a1f666c8419caaaba3ed..175fa53033dff71443d3260d7d825f4f89c94d51 100644
--- a/Framework/CurveFitting/test/ChebfunBaseTest.h
+++ b/Framework/CurveFitting/test/Functions/ChebfunBaseTest.h
@@ -3,12 +3,13 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ChebfunBase.h"
+#include "MantidCurveFitting/Functions/ChebfunBase.h"
#include <cmath>
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
double Sin(double x) { return sin(x); }
double MinusSin(double x) { return -sin(x); }
diff --git a/Framework/CurveFitting/test/ChebyshevTest.h b/Framework/CurveFitting/test/Functions/ChebyshevTest.h
similarity index 94%
rename from Framework/CurveFitting/test/ChebyshevTest.h
rename to Framework/CurveFitting/test/Functions/ChebyshevTest.h
index 7cad35f6467b458528ae24878517dd66a89ad8c8..2602cc30011f506b35969d80ec4fbc5d25a0265a 100644
--- a/Framework/CurveFitting/test/ChebyshevTest.h
+++ b/Framework/CurveFitting/test/Functions/ChebyshevTest.h
@@ -3,8 +3,8 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Chebyshev.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/Chebyshev.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/AnalysisDataService.h"
@@ -14,6 +14,8 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
class ChebyshevTest : public CxxTest::TestSuite {
public:
@@ -59,7 +61,7 @@ public:
Chebyshev cheb;
cheb.setAttributeValue("n", 3);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setPropertyValue("Function", cheb.asString());
@@ -116,7 +118,7 @@ public:
cheb.setAttributeValue("StartX", -10.0);
cheb.setAttributeValue("EndX", 10.0);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setPropertyValue("Function", cheb.asString());
diff --git a/Framework/CurveFitting/test/ComptonPeakProfileTest.h b/Framework/CurveFitting/test/Functions/ComptonPeakProfileTest.h
similarity index 95%
rename from Framework/CurveFitting/test/ComptonPeakProfileTest.h
rename to Framework/CurveFitting/test/Functions/ComptonPeakProfileTest.h
index b66b087aa802c527caca4a6d8e1fd330d5e621b6..1d5a8488d99c3a143fd1ed5df9d99c4d97e3a7e6 100644
--- a/Framework/CurveFitting/test/ComptonPeakProfileTest.h
+++ b/Framework/CurveFitting/test/Functions/ComptonPeakProfileTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ComptonPeakProfile.h"
+#include "MantidCurveFitting/Functions/ComptonPeakProfile.h"
#include "ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::ComptonPeakProfile;
+using Mantid::CurveFitting::Functions::ComptonPeakProfile;
class ComptonPeakProfileTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/ComptonProfileTest.h b/Framework/CurveFitting/test/Functions/ComptonProfileTest.h
similarity index 95%
rename from Framework/CurveFitting/test/ComptonProfileTest.h
rename to Framework/CurveFitting/test/Functions/ComptonProfileTest.h
index f1a33b8d848929d5101ef39af333cc2e05d9e482..2d21d6981cac2ea1c2bdd06f2e744938371e4cf7 100644
--- a/Framework/CurveFitting/test/ComptonProfileTest.h
+++ b/Framework/CurveFitting/test/Functions/ComptonProfileTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ComptonProfile.h"
+#include "MantidCurveFitting/Functions/ComptonProfile.h"
#include <boost/make_shared.hpp>
-using Mantid::CurveFitting::ComptonProfile;
+using Mantid::CurveFitting::Functions::ComptonProfile;
class ComptonProfileTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/ComptonProfileTestHelpers.h b/Framework/CurveFitting/test/Functions/ComptonProfileTestHelpers.h
similarity index 100%
rename from Framework/CurveFitting/test/ComptonProfileTestHelpers.h
rename to Framework/CurveFitting/test/Functions/ComptonProfileTestHelpers.h
diff --git a/Framework/CurveFitting/test/ComptonScatteringCountRateTest.h b/Framework/CurveFitting/test/Functions/ComptonScatteringCountRateTest.h
similarity index 97%
rename from Framework/CurveFitting/test/ComptonScatteringCountRateTest.h
rename to Framework/CurveFitting/test/Functions/ComptonScatteringCountRateTest.h
index 714776b1bef083fc29139c04106ce15933024a16..a9fe90bd3babc3a60a9d8cf51350bd93db538fe3 100644
--- a/Framework/CurveFitting/test/ComptonScatteringCountRateTest.h
+++ b/Framework/CurveFitting/test/Functions/ComptonScatteringCountRateTest.h
@@ -2,9 +2,12 @@
#define MANTID_CURVEFITTING_COMPTONSCATTERINGCOUNTRATETEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ComptonScatteringCountRate.h"
+#include "MantidCurveFitting/Functions/ComptonScatteringCountRate.h"
#include "ComptonProfileTestHelpers.h"
+using Mantid::CurveFitting::Functions::ComptonScatteringCountRate;
+using Mantid::CurveFitting::Functions::ComptonProfile;
+
class ComptonScatteringCountRateTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
@@ -209,7 +212,7 @@ public:
private:
/// A simple working object to use for the testing
/// Provides a canned answer of 1 for the massProfile
- class ComptonProfileStub : public Mantid::CurveFitting::ComptonProfile {
+ class ComptonProfileStub : public ComptonProfile {
public:
ComptonProfileStub() : ComptonProfile() {
declareParameter("Width", 1.0);
@@ -289,7 +292,7 @@ private:
return func;
}
- boost::shared_ptr<Mantid::CurveFitting::ComptonScatteringCountRate>
+ boost::shared_ptr<ComptonScatteringCountRate>
createFunctionNoBackground(const bool useTwoIntensityFuncAsFirst = false) {
boost::shared_ptr<ComptonProfileStub> func1;
if (useTwoIntensityFuncAsFirst) {
@@ -310,7 +313,6 @@ private:
func2->setParameter("Width", 10.0);
func2->setParameter("Intensity", 3.0);
- using Mantid::CurveFitting::ComptonScatteringCountRate;
auto profile = boost::make_shared<ComptonScatteringCountRate>();
profile->initialize();
profile->addFunction(func1);
@@ -321,7 +323,6 @@ private:
}
Mantid::API::IFunction_sptr createFunction() {
- using Mantid::CurveFitting::ComptonScatteringCountRate;
auto profile = boost::make_shared<ComptonScatteringCountRate>();
profile->initialize();
diff --git a/Framework/CurveFitting/test/ConvolutionTest.h b/Framework/CurveFitting/test/Functions/ConvolutionTest.h
similarity index 98%
rename from Framework/CurveFitting/test/ConvolutionTest.h
rename to Framework/CurveFitting/test/Functions/ConvolutionTest.h
index 222e87689568f9c6e3885b24b2b446fcb3c727d6..21c97b9b390e28361bbb123333158d45c82abf6d 100644
--- a/Framework/CurveFitting/test/ConvolutionTest.h
+++ b/Framework/CurveFitting/test/Functions/ConvolutionTest.h
@@ -5,8 +5,8 @@
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/AnalysisDataService.h"
-#include "MantidCurveFitting/Convolution.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/IPeakFunction.h"
@@ -21,6 +21,8 @@ using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
typedef Mantid::DataObjects::Workspace2D_sptr WS_type;
typedef Mantid::DataObjects::TableWorkspace_sptr TWS_type;
@@ -406,7 +408,7 @@ public:
conv->setParameter("f1.h", 1);
conv->setParameter("f1.w", 1);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setPropertyValue("Function", conv->asString());
@@ -424,7 +426,7 @@ public:
0.1, fabs(out->getParameter("f1.w") - conv->getParameter("f1.w")));
conv->setAttributeValue("FixResolution", false);
- Fit fit1;
+ Algorithms::Fit fit1;
fit1.initialize();
fit1.setProperty("Function", boost::dynamic_pointer_cast<IFunction>(conv));
fit1.setProperty("InputWorkspace", data);
diff --git a/Framework/CurveFitting/test/CubicSplineTest.h b/Framework/CurveFitting/test/Functions/CubicSplineTest.h
similarity index 97%
rename from Framework/CurveFitting/test/CubicSplineTest.h
rename to Framework/CurveFitting/test/Functions/CubicSplineTest.h
index f9a21e89591d04d0afa1c2943e88446a098a47e0..f90d200345fe5ffece9b81c38ba57583f84135e9 100644
--- a/Framework/CurveFitting/test/CubicSplineTest.h
+++ b/Framework/CurveFitting/test/Functions/CubicSplineTest.h
@@ -5,8 +5,8 @@
#include <cmath>
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/CubicSpline.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/CubicSpline.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/AnalysisDataService.h"
@@ -16,6 +16,8 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
class CubicSplineTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/DeltaFunctionTest.h b/Framework/CurveFitting/test/Functions/DeltaFunctionTest.h
similarity index 93%
rename from Framework/CurveFitting/test/DeltaFunctionTest.h
rename to Framework/CurveFitting/test/Functions/DeltaFunctionTest.h
index d6ff22def118eb83ee4bd09828903e1cc5e7ebf6..b7fabe94be69f939f9593a29ee64bf745353847f 100644
--- a/Framework/CurveFitting/test/DeltaFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/DeltaFunctionTest.h
@@ -2,10 +2,10 @@
#define DELTAFUNCTIONTEST_H
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
-#include "MantidCurveFitting/DeltaFunction.h"
-#include "MantidCurveFitting/Convolution.h"
+#include "MantidCurveFitting/Functions/DeltaFunction.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -13,6 +13,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
// same class as ConvolutionTest_Gauss in ConvolutionTest.h
class DeltaFunctionTest_Gauss : public IPeakFunction {
diff --git a/Framework/CurveFitting/test/DiffRotDiscreteCircleTest.h b/Framework/CurveFitting/test/Functions/DiffRotDiscreteCircleTest.h
similarity index 94%
rename from Framework/CurveFitting/test/DiffRotDiscreteCircleTest.h
rename to Framework/CurveFitting/test/Functions/DiffRotDiscreteCircleTest.h
index b6ffb6e4c0ff751c700ef445c3a6cb72a15f52d6..4b8df7d7a42592fafb9a381ecd27f535e01e3fdb 100644
--- a/Framework/CurveFitting/test/DiffRotDiscreteCircleTest.h
+++ b/Framework/CurveFitting/test/Functions/DiffRotDiscreteCircleTest.h
@@ -3,10 +3,10 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/AlgorithmFactory.h"
-#include "MantidCurveFitting/Convolution.h"
-#include "MantidCurveFitting/DiffRotDiscreteCircle.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
+#include "MantidCurveFitting/Functions/DiffRotDiscreteCircle.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidTestHelpers/ComponentCreationHelper.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -18,6 +18,10 @@
#include <boost/random/uniform_real.hpp>
#include <boost/shared_ptr.hpp>
+using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
+
class DiffRotDiscreteCircleTest : public CxxTest::TestSuite {
public:
@@ -34,8 +38,7 @@ public:
const double w0 = random_value(-1.0, 1.0);
const double h = random_value(1.0, 1000.0);
const double fwhm = random_value(1.0, 100.0);
- boost::shared_ptr<Mantid::CurveFitting::Gaussian> resolution(
- new Mantid::CurveFitting::Gaussian());
+ boost::shared_ptr<Gaussian> resolution(new Gaussian());
resolution->initialize(); // declare parameters
resolution->setCentre(w0);
resolution->setHeight(h);
@@ -47,16 +50,15 @@ public:
const double r = random_value(0.3, 9.8);
const double Q = 0.9;
const int N = 6;
- boost::shared_ptr<Mantid::CurveFitting::ElasticDiffRotDiscreteCircle>
- structure_factor(
- new Mantid::CurveFitting::ElasticDiffRotDiscreteCircle());
+ boost::shared_ptr<ElasticDiffRotDiscreteCircle> structure_factor(
+ new ElasticDiffRotDiscreteCircle());
structure_factor->setParameter("Height", I);
structure_factor->setParameter("Radius", r);
structure_factor->setAttributeValue("Q", Q);
structure_factor->setAttributeValue("N", N);
// initialize the convolution function
- Mantid::CurveFitting::Convolution conv;
+ Convolution conv;
conv.addFunction(resolution);
conv.addFunction(structure_factor);
@@ -124,7 +126,7 @@ public:
"9,Intensity=2.9,Radius=2.3,Decay=0.468";
// Do a fit with no iterations
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
fitalg.setProperty("Function", funtion_string);
@@ -172,7 +174,7 @@ public:
const double tao = 0.45;
const double Q = 0.7;
const int N = 4;
- Mantid::CurveFitting::DiffRotDiscreteCircle func;
+ DiffRotDiscreteCircle func;
func.init();
func.setParameter("f1.Intensity", I);
func.setParameter("f1.Radius", R);
@@ -181,8 +183,7 @@ public:
func.setAttributeValue("N", N);
// check values where correctly initialized
- auto ids = boost::dynamic_pointer_cast<
- Mantid::CurveFitting::InelasticDiffRotDiscreteCircle>(
+ auto ids = boost::dynamic_pointer_cast<InelasticDiffRotDiscreteCircle>(
func.getFunction(1));
TS_ASSERT_EQUALS(ids->getParameter("Intensity"), I);
TS_ASSERT_EQUALS(ids->getParameter("Radius"), R);
@@ -192,8 +193,7 @@ public:
// check the ties were applied correctly
func.applyTies(); // elastic parameters are tied to inelastic parameters
- auto eds = boost::dynamic_pointer_cast<
- Mantid::CurveFitting::ElasticDiffRotDiscreteCircle>(
+ auto eds = boost::dynamic_pointer_cast<ElasticDiffRotDiscreteCircle>(
func.getFunction(0));
TS_ASSERT_EQUALS(eds->getParameter("Height"), I);
TS_ASSERT_EQUALS(eds->getParameter("Radius"), R);
@@ -207,15 +207,14 @@ public:
const double tao = 0.45;
// This should set parameters of the inelastic part
- Mantid::CurveFitting::DiffRotDiscreteCircle func;
+ DiffRotDiscreteCircle func;
func.init();
func.setParameter("Intensity", I);
func.setParameter("Radius", R);
func.setParameter("Decay", tao);
// check the parameter of the inelastic part
- auto ifunc = boost::dynamic_pointer_cast<
- Mantid::CurveFitting::InelasticDiffRotDiscreteCircle>(
+ auto ifunc = boost::dynamic_pointer_cast<InelasticDiffRotDiscreteCircle>(
func.getFunction(1));
TS_ASSERT_EQUALS(ifunc->getParameter("Intensity"), I);
TS_ASSERT_EQUALS(ifunc->getParameter("Radius"), R);
@@ -223,8 +222,7 @@ public:
// check the parameters of the elastic part
func.applyTies(); // elastic parameters are tied to inelastic parameters
- auto efunc = boost::dynamic_pointer_cast<
- Mantid::CurveFitting::ElasticDiffRotDiscreteCircle>(
+ auto efunc = boost::dynamic_pointer_cast<ElasticDiffRotDiscreteCircle>(
func.getFunction(0));
TS_ASSERT_EQUALS(efunc->getParameter("Height"), I);
TS_ASSERT_EQUALS(efunc->getParameter("Radius"), R);
@@ -244,7 +242,7 @@ public:
"Radius=1.567,Decay=7.567))";
// Initialize the fit function in the Fit algorithm
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
fitalg.setProperty("Function", funtion_string);
@@ -277,8 +275,7 @@ public:
Mantid::API::IFunction_sptr fitalg_function =
fitalg.getProperty("Function");
auto fitalg_conv =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::Convolution>(
- fitalg_function);
+ boost::dynamic_pointer_cast<Convolution>(fitalg_function);
Mantid::API::IFunction_sptr fitalg_resolution = fitalg_conv->getFunction(0);
TS_ASSERT_DELTA(fitalg_resolution->getParameter("PeakCentre"), 0.0,
0.00001); // allow for a small percent variation
@@ -342,7 +339,7 @@ private:
<< ",Shift=" << S << ")";
// Initialize the fit function in the Fit algorithm
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
fitalg.setProperty("Function", function_stream.str());
@@ -384,8 +381,7 @@ private:
Mantid::API::IFunction_sptr fitalg_function =
fitalg.getProperty("Function");
auto fitalg_conv =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::Convolution>(
- fitalg_function);
+ boost::dynamic_pointer_cast<Convolution>(fitalg_function);
Mantid::API::IFunction_sptr fitalg_resolution = fitalg_conv->getFunction(0);
TS_ASSERT_DELTA(fitalg_resolution->getParameter("PeakCentre"), 0.0,
0.00001); // allow for a small percent variation
@@ -525,7 +521,7 @@ private:
// create a data workspace using a Fit algorithm
Mantid::DataObjects::Workspace2D_sptr
- generateWorkspaceFromFitAlgorithm(Mantid::CurveFitting::Fit &fitalg) {
+ generateWorkspaceFromFitAlgorithm(Algorithms::Fit &fitalg) {
using namespace Mantid::Kernel;
using namespace Mantid::Geometry;
diff --git a/Framework/CurveFitting/test/DiffSphereTest.h b/Framework/CurveFitting/test/Functions/DiffSphereTest.h
similarity index 94%
rename from Framework/CurveFitting/test/DiffSphereTest.h
rename to Framework/CurveFitting/test/Functions/DiffSphereTest.h
index 17d2e95afd9b115fcab90a1a311baa33d63013ab..06807332917f92d65dcc128bff337207ef34e7fa 100644
--- a/Framework/CurveFitting/test/DiffSphereTest.h
+++ b/Framework/CurveFitting/test/Functions/DiffSphereTest.h
@@ -10,17 +10,21 @@
// Include local copy of Valgrind header to avoid creating a dependency
#include "valgrind.h"
-#include "MantidCurveFitting/DiffSphere.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Convolution.h"
+#include "MantidCurveFitting/Functions/DiffSphere.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/AlgorithmFactory.h"
#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidTestHelpers/ComponentCreationHelper.h"
+using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
+
class DiffSphereTest : public CxxTest::TestSuite {
public:
bool skipTests() {
@@ -42,7 +46,7 @@ public:
"Sigma=0.002);name=ElasticDiffSphere,Q=0.5,Height=47.014,Radius=3.567)";
// Initialize the fit function in the Fit algorithm
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
fitalg.setProperty("Function", funtion_string);
@@ -82,8 +86,7 @@ public:
Mantid::API::IFunction_sptr fitalg_function =
fitalg.getProperty("Function");
auto fitalg_conv =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::Convolution>(
- fitalg_function);
+ boost::dynamic_pointer_cast<Convolution>(fitalg_function);
Mantid::API::IFunction_sptr fitalg_resolution = fitalg_conv->getFunction(0);
TS_ASSERT_DELTA(fitalg_resolution->getParameter("PeakCentre"), 0.0,
0.00001); // allow for a small percent variation
@@ -132,16 +135,15 @@ public:
// of the 99 coefficients to break down
// initialize the elastic part
- boost::shared_ptr<Mantid::CurveFitting::ElasticDiffSphere> elastic_part(
- new Mantid::CurveFitting::ElasticDiffSphere());
+ boost::shared_ptr<ElasticDiffSphere> elastic_part(new ElasticDiffSphere());
elastic_part->setParameter("Height", I);
elastic_part->setParameter("Radius", R);
elastic_part->setAttributeValue("Q", Q);
elastic_part->init();
// initialize the inelastic part
- boost::shared_ptr<Mantid::CurveFitting::InelasticDiffSphere> inelastic_part(
- new Mantid::CurveFitting::InelasticDiffSphere());
+ boost::shared_ptr<InelasticDiffSphere> inelastic_part(
+ new InelasticDiffSphere());
inelastic_part->setParameter("Intensity", I);
inelastic_part->setParameter("Radius", R);
inelastic_part->setParameter("Diffusion", D);
@@ -185,7 +187,7 @@ public:
const double Q(0.5);
// Initialize the fit function in the Fit algorithm
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
std::ostringstream funtion_stream;
@@ -205,18 +207,15 @@ public:
Mantid::API::IFunction_sptr fitalg_function =
fitalg.getProperty("Function"); // main function
fitalg_function->initialize();
- auto fitalg_conv =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::Convolution>(
- fitalg_function); // cast to Convolution
+ auto fitalg_conv = boost::dynamic_pointer_cast<Convolution>(
+ fitalg_function); // cast to Convolution
fitalg_function = fitalg_conv->getFunction(1); // DiffSphere
auto fitalg_structure_factor =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::DiffSphere>(
- fitalg_function);
+ boost::dynamic_pointer_cast<DiffSphere>(fitalg_function);
fitalg_function = fitalg_structure_factor->getFunction(0);
auto fitalg_elastic =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::ElasticDiffSphere>(
- fitalg_function);
+ boost::dynamic_pointer_cast<ElasticDiffSphere>(fitalg_function);
TS_ASSERT_DELTA(fitalg_elastic->getParameter("Height"), I_0,
std::numeric_limits<double>::epsilon());
TS_ASSERT_DELTA(fitalg_elastic->getParameter("Radius"), R_0,
@@ -229,8 +228,7 @@ public:
fitalg_function = fitalg_structure_factor->getFunction(1);
auto fitalg_inelastic =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::InelasticDiffSphere>(
- fitalg_function);
+ boost::dynamic_pointer_cast<InelasticDiffSphere>(fitalg_function);
TS_ASSERT_DELTA(fitalg_inelastic->getParameter("Intensity"), I_0,
std::numeric_limits<double>::epsilon());
TS_ASSERT_DELTA(fitalg_inelastic->getParameter("Radius"), R_0,
@@ -331,7 +329,7 @@ private:
simQ = 0.20092;
// Initialize the fit function in the Fit algorithm
- Mantid::CurveFitting::Fit fitalg;
+ Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
std::ostringstream funtion_stream;
@@ -398,8 +396,7 @@ private:
Mantid::API::IFunction_sptr fitalg_function =
fitalg.getProperty("Function");
auto fitalg_conv =
- boost::dynamic_pointer_cast<Mantid::CurveFitting::Convolution>(
- fitalg_function);
+ boost::dynamic_pointer_cast<Convolution>(fitalg_function);
Mantid::API::IFunction_sptr fitalg_resolution = fitalg_conv->getFunction(0);
TS_ASSERT_DELTA(fitalg_resolution->getParameter("PeakCentre"), S,
@@ -457,7 +454,7 @@ private:
// create a data workspace using a Fit algorithm
Mantid::DataObjects::Workspace2D_sptr
- generateWorkspaceFromFitAlgorithm(Mantid::CurveFitting::Fit &fitalg) {
+ generateWorkspaceFromFitAlgorithm(Algorithms::Fit &fitalg) {
using namespace Mantid::Kernel;
using namespace Mantid::Geometry;
diff --git a/Framework/CurveFitting/test/DynamicKuboToyabeTest.h b/Framework/CurveFitting/test/Functions/DynamicKuboToyabeTest.h
similarity index 95%
rename from Framework/CurveFitting/test/DynamicKuboToyabeTest.h
rename to Framework/CurveFitting/test/Functions/DynamicKuboToyabeTest.h
index cb987b5fc70802662484bb4c949f927c2b696a77..dd533ab427dc806cd9709c3986360e37ded82496 100644
--- a/Framework/CurveFitting/test/DynamicKuboToyabeTest.h
+++ b/Framework/CurveFitting/test/Functions/DynamicKuboToyabeTest.h
@@ -3,14 +3,15 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/DynamicKuboToyabe.h"
-#include "MantidCurveFitting/StaticKuboToyabe.h"
+#include "MantidCurveFitting/Functions/DynamicKuboToyabe.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabe.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
class DynamicKuboToyabeTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/EndErfcTest.h b/Framework/CurveFitting/test/Functions/EndErfcTest.h
similarity index 92%
rename from Framework/CurveFitting/test/EndErfcTest.h
rename to Framework/CurveFitting/test/Functions/EndErfcTest.h
index 8e2ba2f3485752e855f833486be3d5dc079979b5..dc03dd49687bc3504fa6fede22461e39bd487145 100644
--- a/Framework/CurveFitting/test/EndErfcTest.h
+++ b/Framework/CurveFitting/test/Functions/EndErfcTest.h
@@ -3,11 +3,8 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/EndErfc.h"
-#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/EndErfc.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -16,6 +13,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class EndErfcTest : public CxxTest::TestSuite {
@@ -41,7 +40,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/ExpDecayMuonTest.h b/Framework/CurveFitting/test/Functions/ExpDecayMuonTest.h
similarity index 89%
rename from Framework/CurveFitting/test/ExpDecayMuonTest.h
rename to Framework/CurveFitting/test/Functions/ExpDecayMuonTest.h
index bf17e5d9a7728820700c5cccac72a17cf1b66225..02a079776da1b8fc1632ca1ddc4e09cd632bcaff 100644
--- a/Framework/CurveFitting/test/ExpDecayMuonTest.h
+++ b/Framework/CurveFitting/test/Functions/ExpDecayMuonTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ExpDecayMuon.h"
+#include "MantidCurveFitting/Functions/ExpDecayMuon.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -16,6 +16,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
class ExpDecayMuonTest : public CxxTest::TestSuite {
@@ -48,7 +50,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/ExpDecayOscTest.h b/Framework/CurveFitting/test/Functions/ExpDecayOscTest.h
similarity index 90%
rename from Framework/CurveFitting/test/ExpDecayOscTest.h
rename to Framework/CurveFitting/test/Functions/ExpDecayOscTest.h
index 865c28d2c1c9811aae3c25d04b01e35ed13e8975..9c91b5e7dccd6734f9deb754062e9da48fcc81a9 100644
--- a/Framework/CurveFitting/test/ExpDecayOscTest.h
+++ b/Framework/CurveFitting/test/Functions/ExpDecayOscTest.h
@@ -4,9 +4,9 @@
#include <cxxtest/TestSuite.h>
#include <cmath>
-#include "MantidCurveFitting/ExpDecayOsc.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Functions/ExpDecayOsc.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -14,6 +14,9 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Constraints;
using namespace Mantid::DataObjects;
class ExpDecayOscTest : public CxxTest::TestSuite {
@@ -48,7 +51,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/ExpDecayTest.h b/Framework/CurveFitting/test/Functions/ExpDecayTest.h
similarity index 90%
rename from Framework/CurveFitting/test/ExpDecayTest.h
rename to Framework/CurveFitting/test/Functions/ExpDecayTest.h
index fbfa2c5a556b69117e0bf3163c16e4b3285a5738..149edd05e1a5ba33f31244e8764be4b53a4c5692 100644
--- a/Framework/CurveFitting/test/ExpDecayTest.h
+++ b/Framework/CurveFitting/test/Functions/ExpDecayTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ExpDecay.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +19,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
class ExpDecayTest : public CxxTest::TestSuite {
@@ -51,7 +53,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/FlatBackgroundTest.h b/Framework/CurveFitting/test/Functions/FlatBackgroundTest.h
similarity index 92%
rename from Framework/CurveFitting/test/FlatBackgroundTest.h
rename to Framework/CurveFitting/test/Functions/FlatBackgroundTest.h
index bc0dd6bbe920f081dfd366d54a2a61c04448c220..821dfed7a8478416ac589cca32e44d24e2e87dba 100644
--- a/Framework/CurveFitting/test/FlatBackgroundTest.h
+++ b/Framework/CurveFitting/test/Functions/FlatBackgroundTest.h
@@ -5,10 +5,11 @@
#include "MantidKernel/Timer.h"
#include "MantidKernel/System.h"
-#include "MantidCurveFitting/FlatBackground.h"
+#include "MantidCurveFitting/Functions/FlatBackground.h"
using namespace Mantid;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class FlatBackgroundTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/FullprofPolynomialTest.h b/Framework/CurveFitting/test/Functions/FullprofPolynomialTest.h
similarity index 92%
rename from Framework/CurveFitting/test/FullprofPolynomialTest.h
rename to Framework/CurveFitting/test/Functions/FullprofPolynomialTest.h
index 2ecf9c6d841e358fb2ebab5aaf284bcc245302e2..42b9226a157d35194382d641ca202f57561deb76 100644
--- a/Framework/CurveFitting/test/FullprofPolynomialTest.h
+++ b/Framework/CurveFitting/test/Functions/FullprofPolynomialTest.h
@@ -3,17 +3,19 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/FullprofPolynomial.h"
+#include "MantidCurveFitting/Functions/FullprofPolynomial.h"
#include "MantidAPI/IFunction.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
-using Mantid::CurveFitting::FullprofPolynomial;
+using Mantid::CurveFitting::Functions::FullprofPolynomial;
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Algorithms;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
using namespace Mantid::Kernel;
@@ -87,7 +89,7 @@ public:
tofbkgd->setParameter("A3", 0.0);
// Set up fit
- CurveFitting::Fit fitalg;
+ CurveFitting::Algorithms::Fit fitalg;
TS_ASSERT_THROWS_NOTHING(fitalg.initialize());
TS_ASSERT(fitalg.isInitialized());
diff --git a/Framework/CurveFitting/test/GausDecayTest.h b/Framework/CurveFitting/test/Functions/GausDecayTest.h
similarity index 90%
rename from Framework/CurveFitting/test/GausDecayTest.h
rename to Framework/CurveFitting/test/Functions/GausDecayTest.h
index d3a087a5a047ce48be4856fa3eb57ce798df056f..3771d22c694d4c4438d2c3681fb7435e5dc634ac 100644
--- a/Framework/CurveFitting/test/GausDecayTest.h
+++ b/Framework/CurveFitting/test/Functions/GausDecayTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/GausDecay.h"
+#include "MantidCurveFitting/Functions/GausDecay.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -21,6 +21,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
using namespace Mantid::DataHandling;
@@ -52,7 +54,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/GausOscTest.h b/Framework/CurveFitting/test/Functions/GausOscTest.h
similarity index 91%
rename from Framework/CurveFitting/test/GausOscTest.h
rename to Framework/CurveFitting/test/Functions/GausOscTest.h
index 434cf9ba475c4eb988b4c6239aeedc90c829b9b3..0e31dc9c702bb0f9a5499f3a7ffcceaf22dd8d86 100644
--- a/Framework/CurveFitting/test/GausOscTest.h
+++ b/Framework/CurveFitting/test/Functions/GausOscTest.h
@@ -4,11 +4,11 @@
#include <cxxtest/TestSuite.h>
#include <cmath>
-#include "MantidCurveFitting/GausOsc.h"
+#include "MantidCurveFitting/Functions/GausOsc.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -22,6 +22,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
using namespace Mantid::DataHandling;
@@ -57,7 +59,7 @@ public:
void testAgainstMockData() // Parts of test disabled because it does not give
// result like that obtained in mantidplot.
{
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/GaussianComptonProfileTest.h b/Framework/CurveFitting/test/Functions/GaussianComptonProfileTest.h
similarity index 94%
rename from Framework/CurveFitting/test/GaussianComptonProfileTest.h
rename to Framework/CurveFitting/test/Functions/GaussianComptonProfileTest.h
index 546dd4a9de2cb7c9d032fbff41062962064a02c6..dfec3f0af151f71660962a523f453ec815eb1a96 100644
--- a/Framework/CurveFitting/test/GaussianComptonProfileTest.h
+++ b/Framework/CurveFitting/test/Functions/GaussianComptonProfileTest.h
@@ -2,12 +2,13 @@
#define MANTID_CURVEFITTING_GAUSSIANCOMPTONPROFILETEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/GaussianComptonProfile.h"
+#include "MantidCurveFitting/Functions/GaussianComptonProfile.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::GaussianComptonProfile;
+using Mantid::CurveFitting::Functions::GaussianComptonProfile;
+using Mantid::CurveFitting::Functions::ComptonProfile;
class GaussianComptonProfileTest : public CxxTest::TestSuite {
public:
@@ -40,8 +41,7 @@ public:
}
void test_Function_Has_One_Intensity_Coefficient() {
- boost::shared_ptr<Mantid::CurveFitting::ComptonProfile> profile =
- createFunction();
+ boost::shared_ptr<ComptonProfile> profile = createFunction();
auto intensityIndices = profile->intensityParameterIndices();
TS_ASSERT_EQUALS(1, intensityIndices.size());
diff --git a/Framework/CurveFitting/test/GaussianTest.h b/Framework/CurveFitting/test/Functions/GaussianTest.h
similarity index 95%
rename from Framework/CurveFitting/test/GaussianTest.h
rename to Framework/CurveFitting/test/Functions/GaussianTest.h
index 91492c50f5ab2aa2bd0da295408e010fec8d0561..079292914546c5b19922438bcc98aab4ab79b476 100644
--- a/Framework/CurveFitting/test/GaussianTest.h
+++ b/Framework/CurveFitting/test/Functions/GaussianTest.h
@@ -3,11 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/InstrumentDataService.h"
@@ -23,14 +22,19 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/UserFunction.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
using namespace Mantid;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Constraints;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
using namespace Mantid::DataHandling;
@@ -201,7 +205,7 @@ public:
costFun->setFittingFunction(fnWithBk, domain, values);
// TS_ASSERT_EQUALS(costFun->nParams(),3);
- LevenbergMarquardtMDMinimizer s;
+ FuncMinimisers::LevenbergMarquardtMDMinimizer s;
s.initialize(costFun);
TS_ASSERT(s.minimize());
@@ -236,7 +240,7 @@ public:
TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().add(wsName, ws2D));
// Initialise algorithm
- Fit alg;
+ Algorithms::Fit alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
@@ -305,7 +309,7 @@ public:
Mantid::MantidVec &e = ws2D->dataE(0); // error values of counts
getMockData(y, e);
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
@@ -358,7 +362,7 @@ public:
// put this workspace in the data service
TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().add(wsName, ws2D));
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
@@ -424,7 +428,7 @@ public:
ConfigService::Instance().getString("curvefitting.peakRadius");
ConfigService::Instance().setString("curvefitting.peakRadius", "5");
- Fit alg;
+ Algorithms::Fit alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
diff --git a/Framework/CurveFitting/test/GramCharlierComptonProfileTest.h b/Framework/CurveFitting/test/Functions/GramCharlierComptonProfileTest.h
similarity index 94%
rename from Framework/CurveFitting/test/GramCharlierComptonProfileTest.h
rename to Framework/CurveFitting/test/Functions/GramCharlierComptonProfileTest.h
index 8220bfd74ed2e60ec30d4ada2ee6b3282141622a..905278a19172c6d03ee6b237f972058c2da5d16a 100644
--- a/Framework/CurveFitting/test/GramCharlierComptonProfileTest.h
+++ b/Framework/CurveFitting/test/Functions/GramCharlierComptonProfileTest.h
@@ -2,11 +2,12 @@
#define MANTID_CURVEFITTING_GRAMCHARLIERCOMPTONPROFILETEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/GramCharlierComptonProfile.h"
+#include "MantidCurveFitting/Functions/GramCharlierComptonProfile.h"
#include "ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::GramCharlierComptonProfile;
+using Mantid::CurveFitting::Functions::ComptonProfile;
+using Mantid::CurveFitting::Functions::GramCharlierComptonProfile;
class GramCharlierComptonProfileTest : public CxxTest::TestSuite {
public:
@@ -58,8 +59,7 @@ public:
void
test_Function_Returns_Same_Number_Intensity_Coefficents_As_Active_Hermite_Coefficients_If_KFSE_Is_Fixed() {
- boost::shared_ptr<Mantid::CurveFitting::ComptonProfile> profile =
- createFunction();
+ boost::shared_ptr<ComptonProfile> profile = createFunction();
profile->setAttributeValue("HermiteCoeffs", "1 0 1"); // turn on C_0 & C_4
profile->fix(profile->parameterIndex("FSECoeff"));
@@ -69,8 +69,7 @@ public:
void
test_Function_Returns_Same_Number_Intensity_Coefficents_As_Active_Hermite_Coefficients_Plus_One_If_KFSE_Is_Free() {
- boost::shared_ptr<Mantid::CurveFitting::ComptonProfile> profile =
- createFunction();
+ boost::shared_ptr<ComptonProfile> profile = createFunction();
profile->setAttributeValue("HermiteCoeffs", "1 0 1"); // turn on C_0 & C_4
auto intensityIndices = profile->intensityParameterIndices();
diff --git a/Framework/CurveFitting/test/IkedaCarpenterPVTest.h b/Framework/CurveFitting/test/Functions/IkedaCarpenterPVTest.h
similarity index 96%
rename from Framework/CurveFitting/test/IkedaCarpenterPVTest.h
rename to Framework/CurveFitting/test/Functions/IkedaCarpenterPVTest.h
index 53cc7b2f7d9a362e1915efffd4cfeb308c8be2b9..df2182987c94074e520b9ee41fedffc68bff08f7 100644
--- a/Framework/CurveFitting/test/IkedaCarpenterPVTest.h
+++ b/Framework/CurveFitting/test/Functions/IkedaCarpenterPVTest.h
@@ -3,8 +3,8 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/IkedaCarpenterPV.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/IkedaCarpenterPV.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/ConfigService.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -102,6 +102,7 @@ public:
void testAgainstMockData() {
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+ using namespace Mantid::CurveFitting::Functions;
/**
* Changing compiler on OS X has yet again caused this (and only this) test to
@@ -172,6 +173,7 @@ public:
void test_Against_Data_In_DeltaE() {
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+ using namespace Mantid::CurveFitting::Functions;
#if !(defined __APPLE__)
@@ -253,6 +255,7 @@ private:
Mantid::API::IAlgorithm_sptr runFit(const std::string &wsName) {
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+ using namespace Mantid::CurveFitting::Functions;
// set up fitting function and pass to Fit
IkedaCarpenterPV icpv;
@@ -265,7 +268,7 @@ private:
icpv.tie("Kappa", "46.025921");
icpv.setParameter("X0", 45.0);
- auto alg = boost::shared_ptr<IAlgorithm>(new Fit);
+ auto alg = boost::shared_ptr<IAlgorithm>(new Algorithms::Fit);
alg->initialize();
alg->setPropertyValue("Function", icpv.asString());
// Set general Fit parameters
diff --git a/Framework/CurveFitting/test/LinearBackgroundTest.h b/Framework/CurveFitting/test/Functions/LinearBackgroundTest.h
similarity index 92%
rename from Framework/CurveFitting/test/LinearBackgroundTest.h
rename to Framework/CurveFitting/test/Functions/LinearBackgroundTest.h
index f281f018e0533813b77359d129e0e5b63497cba0..03f2d8341c2adbb05608afa567f854141bc8298d 100644
--- a/Framework/CurveFitting/test/LinearBackgroundTest.h
+++ b/Framework/CurveFitting/test/Functions/LinearBackgroundTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/LinearBackground.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -17,8 +17,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
-using Mantid::CurveFitting::LinearBackground;
-using Mantid::CurveFitting::Fit;
+using Mantid::CurveFitting::Functions::LinearBackground;
+using Mantid::CurveFitting::Algorithms::Fit;
using namespace Mantid::DataObjects;
using namespace Mantid::DataHandling;
diff --git a/Framework/CurveFitting/test/LogNormalTest.h b/Framework/CurveFitting/test/Functions/LogNormalTest.h
similarity index 92%
rename from Framework/CurveFitting/test/LogNormalTest.h
rename to Framework/CurveFitting/test/Functions/LogNormalTest.h
index b6ca2231c59266dcc8b9538d6c5b43c1a7c7ca69..d4391f687f2020a2aab3d304feae0ad7e181ec74 100644
--- a/Framework/CurveFitting/test/LogNormalTest.h
+++ b/Framework/CurveFitting/test/Functions/LogNormalTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/LogNormal.h"
+#include "MantidCurveFitting/Functions/LogNormal.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +19,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class LogNormalTest : public CxxTest::TestSuite {
@@ -54,7 +56,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/Lorentzian1DTest.h b/Framework/CurveFitting/test/Functions/Lorentzian1DTest.h
similarity index 96%
rename from Framework/CurveFitting/test/Lorentzian1DTest.h
rename to Framework/CurveFitting/test/Functions/Lorentzian1DTest.h
index 10d4d940f1751a5491e9528d421f16d347c75714..d56d87abe45f2cf3e6dd7bb6b2719c5e6b4f8a67 100644
--- a/Framework/CurveFitting/test/Lorentzian1DTest.h
+++ b/Framework/CurveFitting/test/Functions/Lorentzian1DTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Lorentzian1D.h"
+#include "MantidCurveFitting/Functions/Lorentzian1D.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -12,7 +12,7 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
-using Mantid::CurveFitting::Lorentzian1D;
+using Mantid::CurveFitting::Functions::Lorentzian1D;
using namespace Mantid::DataObjects;
class Lorentzian1DTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/LorentzianTest.h b/Framework/CurveFitting/test/Functions/LorentzianTest.h
similarity index 87%
rename from Framework/CurveFitting/test/LorentzianTest.h
rename to Framework/CurveFitting/test/Functions/LorentzianTest.h
index f4fa3ef83c727c495bf6ba4650de053a2a6859c3..50f9bc895d555bd215ed6dd191b9d617e2718612 100644
--- a/Framework/CurveFitting/test/LorentzianTest.h
+++ b/Framework/CurveFitting/test/Functions/LorentzianTest.h
@@ -3,12 +3,13 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Lorentzian.h"
+#include "MantidCurveFitting/Functions/Lorentzian.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
#include <boost/make_shared.hpp>
+using Mantid::CurveFitting::Functions::Lorentzian;
class LorentzianTest : public CxxTest::TestSuite {
public:
@@ -41,7 +42,7 @@ public:
}
void test_categories() {
- Mantid::CurveFitting::Lorentzian forCat;
+ Lorentzian forCat;
const std::vector<std::string> categories = forCat.categories();
TS_ASSERT(categories.size() == 1);
TS_ASSERT(categories[0] == "Peak");
@@ -49,7 +50,7 @@ public:
void test_FWHM() {
double hwhm = 0.5;
- Mantid::CurveFitting::Lorentzian lor;
+ Lorentzian lor;
lor.initialize();
lor.setParameter("Amplitude", 1.0);
lor.setParameter("PeakCentre", 0.0);
@@ -63,7 +64,7 @@ public:
}
void test_height() {
- Mantid::CurveFitting::Lorentzian lor;
+ Lorentzian lor;
lor.initialize();
lor.setHeight(2.0);
lor.setCentre(3.0);
@@ -78,7 +79,7 @@ public:
}
void test_height_zero_width() {
- Mantid::CurveFitting::Lorentzian lor;
+ Lorentzian lor;
lor.initialize();
lor.setHeight(2.0);
lor.setCentre(3.0);
@@ -96,7 +97,7 @@ public:
}
void testIntensity() {
- Mantid::CurveFitting::Lorentzian lor;
+ Lorentzian lor;
lor.initialize();
lor.setHeight(2.0);
lor.setCentre(3.0);
@@ -110,15 +111,15 @@ public:
}
private:
- class TestableLorentzian : public Mantid::CurveFitting::Lorentzian {
+ class TestableLorentzian : public Lorentzian {
public:
void functionLocal(double *out, const double *xValues,
const size_t nData) const {
- Mantid::CurveFitting::Lorentzian::functionLocal(out, xValues, nData);
+ Lorentzian::functionLocal(out, xValues, nData);
}
void functionDerivLocal(Mantid::API::Jacobian *out, const double *xValues,
const size_t nData) {
- Mantid::CurveFitting::Lorentzian::functionDerivLocal(out, xValues, nData);
+ Lorentzian::functionDerivLocal(out, xValues, nData);
}
};
diff --git a/Framework/CurveFitting/test/MuonFInteractionTest.h b/Framework/CurveFitting/test/Functions/MuonFInteractionTest.h
similarity index 93%
rename from Framework/CurveFitting/test/MuonFInteractionTest.h
rename to Framework/CurveFitting/test/Functions/MuonFInteractionTest.h
index b9b5b3b7d968869e05b05e394344826c27ed76c4..a03d49a13135f5697a6f46e2ca9d2a8a2c067e89 100644
--- a/Framework/CurveFitting/test/MuonFInteractionTest.h
+++ b/Framework/CurveFitting/test/Functions/MuonFInteractionTest.h
@@ -3,11 +3,8 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/MuonFInteraction.h"
-#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/MuonFInteraction.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +16,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class MuonFInteractionTest : public CxxTest::TestSuite {
@@ -54,7 +53,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/NeutronBk2BkExpConvPVoigtTest.h b/Framework/CurveFitting/test/Functions/NeutronBk2BkExpConvPVoigtTest.h
similarity index 99%
rename from Framework/CurveFitting/test/NeutronBk2BkExpConvPVoigtTest.h
rename to Framework/CurveFitting/test/Functions/NeutronBk2BkExpConvPVoigtTest.h
index 946ebe697dc0713f9887fa454ad16d3ad3f90294..ad44379ead2f7307b6fff1d56f2bda5df4561ac5 100644
--- a/Framework/CurveFitting/test/NeutronBk2BkExpConvPVoigtTest.h
+++ b/Framework/CurveFitting/test/Functions/NeutronBk2BkExpConvPVoigtTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/NeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/Functions/NeutronBk2BkExpConvPVoigt.h"
using namespace std;
-using Mantid::CurveFitting::NeutronBk2BkExpConvPVoigt;
+using Mantid::CurveFitting::Functions::NeutronBk2BkExpConvPVoigt;
class NeutronBk2BkExpConvPVoigtTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/PawleyFunctionTest.h b/Framework/CurveFitting/test/Functions/PawleyFunctionTest.h
similarity index 99%
rename from Framework/CurveFitting/test/PawleyFunctionTest.h
rename to Framework/CurveFitting/test/Functions/PawleyFunctionTest.h
index 141f4d008e4764a8fdbb892a25f23da0b1f51422..f746d52c86d2c82aa215978eafe8cb2ea0257b04 100644
--- a/Framework/CurveFitting/test/PawleyFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/PawleyFunctionTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PawleyFunction.h"
+#include "MantidCurveFitting/Functions/PawleyFunction.h"
#include "MantidGeometry/Crystal/PointGroup.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FunctionFactory.h"
@@ -11,6 +11,7 @@
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
diff --git a/Framework/CurveFitting/test/PeakParameterFunctionTest.h b/Framework/CurveFitting/test/Functions/PeakParameterFunctionTest.h
similarity index 97%
rename from Framework/CurveFitting/test/PeakParameterFunctionTest.h
rename to Framework/CurveFitting/test/Functions/PeakParameterFunctionTest.h
index 4f5bb3317308e6f871d5c0f994b693b99be1c5d3..80cf00d80492ae098d07649a3cf5b8c882d8aca7 100644
--- a/Framework/CurveFitting/test/PeakParameterFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/PeakParameterFunctionTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PeakParameterFunction.h"
+#include "MantidCurveFitting/Functions/PeakParameterFunction.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionFactory.h"
@@ -13,6 +13,7 @@
#include "MantidCurveFitting/Jacobian.h"
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class PeakParameterFunctionTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/PolynomialTest.h b/Framework/CurveFitting/test/Functions/PolynomialTest.h
similarity index 92%
rename from Framework/CurveFitting/test/PolynomialTest.h
rename to Framework/CurveFitting/test/Functions/PolynomialTest.h
index c33a5e183567d675eb3ad72a41be6b0052334813..13d0461f676997d8bc7ccc44f69831644154cb02 100644
--- a/Framework/CurveFitting/test/PolynomialTest.h
+++ b/Framework/CurveFitting/test/Functions/PolynomialTest.h
@@ -3,15 +3,16 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Polynomial.h"
+#include "MantidCurveFitting/Functions/Polynomial.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
-using Mantid::CurveFitting::Polynomial;
+using Mantid::CurveFitting::Functions::Polynomial;
using namespace Mantid;
using namespace API;
using namespace Kernel;
+using namespace Mantid::CurveFitting::Algorithms;
class PolynomialTest : public CxxTest::TestSuite {
public:
@@ -45,7 +46,7 @@ public:
// put this workspace in the data service
TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().add(wsName, ws2D));
- CurveFitting::Fit alg2;
+ CurveFitting::Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/ProcessBackgroundTest.h b/Framework/CurveFitting/test/Functions/ProcessBackgroundTest.h
similarity index 99%
rename from Framework/CurveFitting/test/ProcessBackgroundTest.h
rename to Framework/CurveFitting/test/Functions/ProcessBackgroundTest.h
index 393ef4b2ceb904fc8a169e8317b46abcf277693b..9ad20b34455b34d2f8d1d236501ce8af4c42ae4d 100644
--- a/Framework/CurveFitting/test/ProcessBackgroundTest.h
+++ b/Framework/CurveFitting/test/Functions/ProcessBackgroundTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ProcessBackground.h"
+#include "MantidCurveFitting/Functions/ProcessBackground.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -11,7 +11,7 @@
#include <fstream>
-using Mantid::CurveFitting::ProcessBackground;
+using Mantid::CurveFitting::Functions::ProcessBackground;
using namespace Mantid;
using namespace Mantid::API;
using namespace Kernel;
diff --git a/Framework/CurveFitting/test/ProductFunctionTest.h b/Framework/CurveFitting/test/Functions/ProductFunctionTest.h
similarity index 94%
rename from Framework/CurveFitting/test/ProductFunctionTest.h
rename to Framework/CurveFitting/test/Functions/ProductFunctionTest.h
index 48cb11dc1fea7b8bde2140d39d630e177960b956..a34711c1d98af800f1f0c991ade79c0a39b44026 100644
--- a/Framework/CurveFitting/test/ProductFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/ProductFunctionTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ProductFunction.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/Gaussian.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
#include "MantidCurveFitting/Jacobian.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -19,6 +19,9 @@
#include "MantidAPI/FunctionValues.h"
typedef Mantid::DataObjects::Workspace2D_sptr WS_type;
+using Mantid::CurveFitting::Functions::ProductFunction;
+using Mantid::CurveFitting::Functions::Gaussian;
+using Mantid::CurveFitting::Algorithms::Fit;
class ProductFunctionMWTest_Gauss : public Mantid::API::IPeakFunction {
public:
@@ -99,7 +102,7 @@ DECLARE_FUNCTION(ProductFunctionMWTest_Linear)
class ProductFunctionTest : public CxxTest::TestSuite {
public:
void testFunction() {
- Mantid::CurveFitting::ProductFunction prodF;
+ ProductFunction prodF;
Mantid::API::IFunction_sptr gauss1(new ProductFunctionMWTest_Gauss);
gauss1->setParameter(0, 1.1);
@@ -154,8 +157,7 @@ public:
prodF.asString());
TS_ASSERT(fun);
- Mantid::CurveFitting::ProductFunction *prodF1 =
- dynamic_cast<Mantid::CurveFitting::ProductFunction *>(fun.get());
+ ProductFunction *prodF1 = dynamic_cast<ProductFunction *>(fun.get());
TS_ASSERT(prodF1);
TS_ASSERT_EQUALS(prodF1->nFunctions(), 4);
@@ -182,12 +184,12 @@ public:
}
void testProductFunction() {
- Mantid::CurveFitting::ProductFunction prodF;
+ ProductFunction prodF;
double c1 = 1.0;
double h1 = 3.0;
double s1 = 0.5;
- Mantid::API::IFunction_sptr f0(new Mantid::CurveFitting::Gaussian);
+ Mantid::API::IFunction_sptr f0(new Gaussian);
f0->initialize();
f0->setParameter("PeakCentre", c1);
f0->setParameter("Height", h1);
@@ -208,7 +210,7 @@ public:
double c2 = 2;
double h2 = 10.0;
double s2 = 0.5;
- Mantid::API::IFunction_sptr f1(new Mantid::CurveFitting::Gaussian);
+ Mantid::API::IFunction_sptr f1(new Gaussian);
f1->initialize();
f1->setParameter("PeakCentre", c2);
f1->setParameter("Height", h2);
@@ -249,7 +251,7 @@ public:
Mantid::API::AnalysisDataService::Instance().add(wsName, ws);
- Mantid::CurveFitting::Fit fit;
+ Mantid::CurveFitting::Algorithms::Fit fit;
fit.initialize();
f0->tie("PeakCentre", "1.0");
@@ -284,14 +286,14 @@ public:
}
void testForCategories() {
- Mantid::CurveFitting::ProductFunction forCat;
+ ProductFunction forCat;
const std::vector<std::string> categories = forCat.categories();
TS_ASSERT(categories.size() == 1);
TS_ASSERT(categories[0] == "General");
}
void testDerivatives() {
- Mantid::CurveFitting::ProductFunction prodF;
+ ProductFunction prodF;
Mantid::API::IFunction_sptr linear1(new ProductFunctionMWTest_Linear);
linear1->setParameter(0, 1.0);
diff --git a/Framework/CurveFitting/test/ProductLinearExpTest.h b/Framework/CurveFitting/test/Functions/ProductLinearExpTest.h
similarity index 96%
rename from Framework/CurveFitting/test/ProductLinearExpTest.h
rename to Framework/CurveFitting/test/Functions/ProductLinearExpTest.h
index 99cb313f5f6ebbfd17f9a148b1d9250e945652fc..a198b826c7ae86af588c6f966874bde85024b175 100644
--- a/Framework/CurveFitting/test/ProductLinearExpTest.h
+++ b/Framework/CurveFitting/test/Functions/ProductLinearExpTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ProductLinearExp.h"
-#include "MantidCurveFitting/ExpDecay.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/ProductFunction.h"
+#include "MantidCurveFitting/Functions/ProductLinearExp.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -16,6 +16,7 @@
#include <boost/make_shared.hpp>
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class ProductLinearExpTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/ProductQuadraticExpTest.h b/Framework/CurveFitting/test/Functions/ProductQuadraticExpTest.h
similarity index 96%
rename from Framework/CurveFitting/test/ProductQuadraticExpTest.h
rename to Framework/CurveFitting/test/Functions/ProductQuadraticExpTest.h
index 51604e1a486f1b734ac181257475df8c162fdb91..c6c4385de3e644ddc19eb57c44e70fa1ed07c65a 100644
--- a/Framework/CurveFitting/test/ProductQuadraticExpTest.h
+++ b/Framework/CurveFitting/test/Functions/ProductQuadraticExpTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ProductQuadraticExp.h"
-#include "MantidCurveFitting/ExpDecay.h"
-#include "MantidCurveFitting/Quadratic.h"
-#include "MantidCurveFitting/ProductFunction.h"
+#include "MantidCurveFitting/Functions/ProductQuadraticExp.h"
+#include "MantidCurveFitting/Functions/ExpDecay.h"
+#include "MantidCurveFitting/Functions/Quadratic.h"
+#include "MantidCurveFitting/Functions/ProductFunction.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -16,6 +16,7 @@
#include <boost/make_shared.hpp>
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class ProductQuadraticExpTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/PseudoVoigtTest.h b/Framework/CurveFitting/test/Functions/PseudoVoigtTest.h
similarity index 98%
rename from Framework/CurveFitting/test/PseudoVoigtTest.h
rename to Framework/CurveFitting/test/Functions/PseudoVoigtTest.h
index 53a4d256f16cf76d0714a5b84ee8f5d9f0c548ef..fd94bc3955f8d97674c3d4a57dc417ba80c34dab 100644
--- a/Framework/CurveFitting/test/PseudoVoigtTest.h
+++ b/Framework/CurveFitting/test/Functions/PseudoVoigtTest.h
@@ -3,13 +3,13 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/PseudoVoigt.h"
+#include "MantidCurveFitting/Functions/PseudoVoigt.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidCurveFitting/Jacobian.h"
#include <boost/make_shared.hpp>
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/Lorentzian.h"
+#include "MantidCurveFitting/Functions/Gaussian.h"
+#include "MantidCurveFitting/Functions/Lorentzian.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -17,6 +17,7 @@
#include "MantidKernel/MersenneTwister.h"
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
diff --git a/Framework/CurveFitting/test/QuadraticTest.h b/Framework/CurveFitting/test/Functions/QuadraticTest.h
similarity index 92%
rename from Framework/CurveFitting/test/QuadraticTest.h
rename to Framework/CurveFitting/test/Functions/QuadraticTest.h
index 110a2f079bbd45b51546c5fddc2e384197dc4ce8..293b34a479a774bb824a08c6e21c509b25d17a39 100644
--- a/Framework/CurveFitting/test/QuadraticTest.h
+++ b/Framework/CurveFitting/test/Functions/QuadraticTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Quadratic.h"
+#include "MantidCurveFitting/Functions/Quadratic.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -17,8 +17,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
-using Mantid::CurveFitting::Quadratic;
-using Mantid::CurveFitting::Fit;
+using Mantid::CurveFitting::Functions::Quadratic;
+using Mantid::CurveFitting::Algorithms::Fit;
using namespace Mantid::DataObjects;
using namespace Mantid::DataHandling;
diff --git a/Framework/CurveFitting/test/ReflectivityMulfTest.h b/Framework/CurveFitting/test/Functions/ReflectivityMulfTest.h
similarity index 96%
rename from Framework/CurveFitting/test/ReflectivityMulfTest.h
rename to Framework/CurveFitting/test/Functions/ReflectivityMulfTest.h
index 7c045ddccc3a764e0a3126bfa990e485fb6cee90..b32cfb9c05f1a3aa4c7e65b45a632af23e3b5853 100644
--- a/Framework/CurveFitting/test/ReflectivityMulfTest.h
+++ b/Framework/CurveFitting/test/Functions/ReflectivityMulfTest.h
@@ -3,13 +3,14 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ReflectivityMulf.h"
+#include "MantidCurveFitting/Functions/ReflectivityMulf.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
class ReflectivityMulfTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/ResolutionTest.h b/Framework/CurveFitting/test/Functions/ResolutionTest.h
similarity index 96%
rename from Framework/CurveFitting/test/ResolutionTest.h
rename to Framework/CurveFitting/test/Functions/ResolutionTest.h
index 5dfdd646bdea04ae81665ad2bee4fabb533325a4..7ac7e7a642c912f6a0cd301f390f0908b776dedb 100644
--- a/Framework/CurveFitting/test/ResolutionTest.h
+++ b/Framework/CurveFitting/test/Functions/ResolutionTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Resolution.h"
-#include "MantidCurveFitting/Fit.h"
-#include "MantidCurveFitting/Convolution.h"
+#include "MantidCurveFitting/Functions/Resolution.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
+#include "MantidCurveFitting/Functions/Convolution.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/FunctionFactory.h"
#include <Poco/File.h>
@@ -13,6 +13,7 @@
#include <fstream>
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class ResolutionTest_Gauss : public IPeakFunction {
@@ -169,7 +170,7 @@ public:
conv.addFunction(res);
conv.addFunction(gauss);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setPropertyValue("Function", conv.asString());
fit.setPropertyValue("InputWorkspace", "ResolutionTest_WS");
diff --git a/Framework/CurveFitting/test/SimpleChebfunTest.h b/Framework/CurveFitting/test/Functions/SimpleChebfunTest.h
similarity index 98%
rename from Framework/CurveFitting/test/SimpleChebfunTest.h
rename to Framework/CurveFitting/test/Functions/SimpleChebfunTest.h
index 7d13981bb5581d93df5691dcdcf992a64f561550..c512c001280461964ebd0b5a38694aae74a7d6e9 100644
--- a/Framework/CurveFitting/test/SimpleChebfunTest.h
+++ b/Framework/CurveFitting/test/Functions/SimpleChebfunTest.h
@@ -3,12 +3,13 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/SimpleChebfun.h"
+#include "MantidCurveFitting/Functions/SimpleChebfun.h"
#include <cmath>
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
namespace {
double Sin(double x) { return sin(x); }
diff --git a/Framework/CurveFitting/test/StaticKuboToyabeTest.h b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTest.h
similarity index 91%
rename from Framework/CurveFitting/test/StaticKuboToyabeTest.h
rename to Framework/CurveFitting/test/Functions/StaticKuboToyabeTest.h
index 6d188da076a69e7035b6f2e9c8dd7ad74e085c03..75aabd12039f6c9253ca7a6683e7352c39939be0 100644
--- a/Framework/CurveFitting/test/StaticKuboToyabeTest.h
+++ b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/StaticKuboToyabe.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabe.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +19,7 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::DataObjects;
class StaticKuboToyabeTest : public CxxTest::TestSuite {
@@ -50,7 +51,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/StaticKuboToyabeTimesExpDecayTest.h b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesExpDecayTest.h
similarity index 91%
rename from Framework/CurveFitting/test/StaticKuboToyabeTimesExpDecayTest.h
rename to Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesExpDecayTest.h
index 1546f743eefec9d8b70eae292361d17d15c34f32..41872069e5d1ce649428af575ca217ba8050f801 100644
--- a/Framework/CurveFitting/test/StaticKuboToyabeTimesExpDecayTest.h
+++ b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesExpDecayTest.h
@@ -3,16 +3,18 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/StaticKuboToyabeTimesExpDecay.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabeTimesExpDecay.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
-using Mantid::CurveFitting::StaticKuboToyabeTimesExpDecay;
+using Mantid::CurveFitting::Functions::StaticKuboToyabeTimesExpDecay;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class StaticKuboToyabeTimesExpDecayTest : public CxxTest::TestSuite {
@@ -69,7 +71,7 @@ public:
}
void test_AgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/StaticKuboToyabeTimesGausDecayTest.h b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesGausDecayTest.h
similarity index 91%
rename from Framework/CurveFitting/test/StaticKuboToyabeTimesGausDecayTest.h
rename to Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesGausDecayTest.h
index e49a1065582563e8098f0e810c661b1418d0b023..f257182091434c6f21ab1bac0b9c17afa3e90b29 100644
--- a/Framework/CurveFitting/test/StaticKuboToyabeTimesGausDecayTest.h
+++ b/Framework/CurveFitting/test/Functions/StaticKuboToyabeTimesGausDecayTest.h
@@ -3,15 +3,17 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/StaticKuboToyabeTimesGausDecay.h"
+#include "MantidCurveFitting/Functions/StaticKuboToyabeTimesGausDecay.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidDataObjects/Workspace2D.h"
-using Mantid::CurveFitting::StaticKuboToyabeTimesGausDecay;
+using Mantid::CurveFitting::Functions::StaticKuboToyabeTimesGausDecay;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class StaticKuboToyabeTimesGausDecayTest : public CxxTest::TestSuite {
@@ -68,7 +70,7 @@ public:
}
void test_AgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/StretchExpMuonTest.h b/Framework/CurveFitting/test/Functions/StretchExpMuonTest.h
similarity index 91%
rename from Framework/CurveFitting/test/StretchExpMuonTest.h
rename to Framework/CurveFitting/test/Functions/StretchExpMuonTest.h
index dcf022beceeabfaa68bd7539a38575e69929b90b..8bbbfb9041cd005233bdd865d79009bcdcb0f444 100644
--- a/Framework/CurveFitting/test/StretchExpMuonTest.h
+++ b/Framework/CurveFitting/test/Functions/StretchExpMuonTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/StretchExpMuon.h"
+#include "MantidCurveFitting/Functions/StretchExpMuon.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -19,6 +19,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class StretchExpMuonTest : public CxxTest::TestSuite {
@@ -54,7 +56,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/StretchExpTest.h b/Framework/CurveFitting/test/Functions/StretchExpTest.h
similarity index 93%
rename from Framework/CurveFitting/test/StretchExpTest.h
rename to Framework/CurveFitting/test/Functions/StretchExpTest.h
index 8ad7fbd15465389bc445b84126dcbe845ee15314..a17208356f7b9261d4ab4551706426a3fe683297 100644
--- a/Framework/CurveFitting/test/StretchExpTest.h
+++ b/Framework/CurveFitting/test/Functions/StretchExpTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/StretchExp.h"
+#include "MantidCurveFitting/Functions/StretchExp.h"
#include "MantidAPI/CompositeFunction.h"
-#include "MantidCurveFitting/LinearBackground.h"
-#include "MantidCurveFitting/BoundaryConstraint.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/Functions/LinearBackground.h"
+#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
@@ -21,6 +21,8 @@
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
+using namespace Mantid::CurveFitting::Algorithms;
using namespace Mantid::DataObjects;
class StretchExpTest_Jacobian : public Mantid::API::Jacobian {
@@ -65,7 +67,7 @@ public:
}
void testAgainstMockData() {
- Fit alg2;
+ Algorithms::Fit alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT(alg2.isInitialized());
diff --git a/Framework/CurveFitting/test/TabulatedFunctionTest.h b/Framework/CurveFitting/test/Functions/TabulatedFunctionTest.h
similarity index 98%
rename from Framework/CurveFitting/test/TabulatedFunctionTest.h
rename to Framework/CurveFitting/test/Functions/TabulatedFunctionTest.h
index f243adc77658f580826be8c15e34342bf1fbb2ad..1937f365c1cab0b8a9f5d3f4a557868d3c3ed357 100644
--- a/Framework/CurveFitting/test/TabulatedFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/TabulatedFunctionTest.h
@@ -3,8 +3,8 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/TabulatedFunction.h"
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/Functions/TabulatedFunction.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidCurveFitting/Jacobian.h"
#include "MantidAPI/FunctionDomain.h"
#include "MantidAPI/AlgorithmFactory.h"
@@ -19,6 +19,7 @@
#include <fstream>
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
namespace {
diff --git a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpAlphaTest.h b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpAlphaTest.h
similarity index 90%
rename from Framework/CurveFitting/test/ThermalNeutronBk2BkExpAlphaTest.h
rename to Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpAlphaTest.h
index 93179e749256588a67025dc326afb4959f9e1955..5a61091389e989eee6469986bb54e6cccf5bc672 100644
--- a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpAlphaTest.h
+++ b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpAlphaTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpAlpha.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpAlpha.h"
using namespace Mantid;
-using Mantid::CurveFitting::ThermalNeutronBk2BkExpAlpha;
+using Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpAlpha;
class ThermalNeutronBk2BkExpAlphaTest : public CxxTest::TestSuite {
public:
@@ -36,7 +36,7 @@ public:
vec_tof.push_back(124187);
// 2. Initialize the method
- Mantid::CurveFitting::ThermalNeutronBk2BkExpAlpha function;
+ ThermalNeutronBk2BkExpAlpha function;
function.initialize();
function.setParameter("Alph0", 4.026);
diff --git a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpBetaTest.h b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpBetaTest.h
similarity index 90%
rename from Framework/CurveFitting/test/ThermalNeutronBk2BkExpBetaTest.h
rename to Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpBetaTest.h
index 226e9229d10ac60170f0eb72ae3c26767133d927..978370be21897feafe65708f61d40d7e7a0b7a24 100644
--- a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpBetaTest.h
+++ b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpBetaTest.h
@@ -3,10 +3,10 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpBeta.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpBeta.h"
using namespace Mantid;
-using Mantid::CurveFitting::ThermalNeutronBk2BkExpBeta;
+using Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpBeta;
class ThermalNeutronBk2BkExpBetaTest : public CxxTest::TestSuite {
public:
@@ -36,7 +36,7 @@ public:
vec_tof.push_back(124187);
// 2. Initialize the method
- Mantid::CurveFitting::ThermalNeutronBk2BkExpBeta function;
+ ThermalNeutronBk2BkExpBeta function;
function.initialize();
function.setParameter("Beta0", 3.489);
diff --git a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpConvPVoigtTest.h b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpConvPVoigtTest.h
similarity index 99%
rename from Framework/CurveFitting/test/ThermalNeutronBk2BkExpConvPVoigtTest.h
rename to Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpConvPVoigtTest.h
index 0be6d35d56e5ee0d15c12d432c080c335aaf0964..ee593a2d2fbb7f09ae2663dc081eba4d765c95b4 100644
--- a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpConvPVoigtTest.h
+++ b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpConvPVoigtTest.h
@@ -5,12 +5,12 @@
#include <fstream>
#include <cmath>
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpConvPVoigt.h"
using namespace Mantid;
using namespace Kernel;
using namespace std;
-using Mantid::CurveFitting::ThermalNeutronBk2BkExpConvPVoigt;
+using Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpConvPVoigt;
class ThermalNeutronBk2BkExpConvPVoigtTest : public CxxTest::TestSuite {
public:
@@ -137,7 +137,7 @@ public:
generateData(vecX, vecY, vecE);
// 1. Create peak
- CurveFitting::ThermalNeutronBk2BkExpConvPVoigt peak;
+ ThermalNeutronBk2BkExpConvPVoigt peak;
peak.initialize();
peak.setMillerIndex(1, 1, 1);
diff --git a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpSigmaTest.h b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpSigmaTest.h
similarity index 89%
rename from Framework/CurveFitting/test/ThermalNeutronBk2BkExpSigmaTest.h
rename to Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpSigmaTest.h
index 3e861dafcbdd461b342e18e1a692e2c113528995..cdc782f28503b2189db8142fda18c6ed8420b43e 100644
--- a/Framework/CurveFitting/test/ThermalNeutronBk2BkExpSigmaTest.h
+++ b/Framework/CurveFitting/test/Functions/ThermalNeutronBk2BkExpSigmaTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/ThermalNeutronBk2BkExpSigma.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronBk2BkExpSigma.h"
-using Mantid::CurveFitting::ThermalNeutronBk2BkExpSigma;
+using Mantid::CurveFitting::Functions::ThermalNeutronBk2BkExpSigma;
using namespace Mantid;
class ThermalNeutronBk2BkExpSigmaTest : public CxxTest::TestSuite {
@@ -36,7 +36,7 @@ public:
vec_tof.push_back(124187);
// 2. Initialize the method
- Mantid::CurveFitting::ThermalNeutronBk2BkExpSigma function;
+ ThermalNeutronBk2BkExpSigma function;
function.initialize();
function.setParameter("Sig2", sqrt(11.380));
diff --git a/Framework/CurveFitting/test/ThermalNeutronDtoTOFFunctionTest.h b/Framework/CurveFitting/test/Functions/ThermalNeutronDtoTOFFunctionTest.h
similarity index 95%
rename from Framework/CurveFitting/test/ThermalNeutronDtoTOFFunctionTest.h
rename to Framework/CurveFitting/test/Functions/ThermalNeutronDtoTOFFunctionTest.h
index e24ea0b0262732010a508f4e85abeb1dacfa30d8..ef8adbfa43e6989e178c00b1fc2908887de122dc 100644
--- a/Framework/CurveFitting/test/ThermalNeutronDtoTOFFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/ThermalNeutronDtoTOFFunctionTest.h
@@ -6,11 +6,11 @@
#include <math.h>
#include <fstream>
-#include "MantidCurveFitting/ThermalNeutronDtoTOFFunction.h"
+#include "MantidCurveFitting/Functions/ThermalNeutronDtoTOFFunction.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
-using Mantid::CurveFitting::ThermalNeutronDtoTOFFunction;
+using Mantid::CurveFitting::Functions::ThermalNeutronDtoTOFFunction;
using namespace Mantid;
using namespace Mantid::API;
@@ -44,7 +44,7 @@ public:
vec_tof.push_back(124187);
// 2. Initialize the method
- Mantid::CurveFitting::ThermalNeutronDtoTOFFunction function;
+ ThermalNeutronDtoTOFFunction function;
function.initialize();
function.setParameter("Dtt1", 22777.1);
diff --git a/Framework/CurveFitting/test/UserFunction1DTest.h b/Framework/CurveFitting/test/Functions/UserFunction1DTest.h
similarity index 96%
rename from Framework/CurveFitting/test/UserFunction1DTest.h
rename to Framework/CurveFitting/test/Functions/UserFunction1DTest.h
index 43abd49d3c90739abf922eac37866fa98c5f0ecb..8ea1cd7792cca9458adabe1b2842ce987f6e0ac9 100644
--- a/Framework/CurveFitting/test/UserFunction1DTest.h
+++ b/Framework/CurveFitting/test/Functions/UserFunction1DTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/UserFunction1D.h"
+#include "MantidCurveFitting/Functions/UserFunction1D.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidDataObjects/Workspace2D.h"
@@ -11,6 +11,7 @@
#include "MantidAPI/ITableWorkspace.h"
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class UserFunction1DTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/UserFunctionTest.h b/Framework/CurveFitting/test/Functions/UserFunctionTest.h
similarity index 95%
rename from Framework/CurveFitting/test/UserFunctionTest.h
rename to Framework/CurveFitting/test/Functions/UserFunctionTest.h
index 7355f7120938957f2b0057217199df9962db4214..b527257a1754fe4503333ffb399c9b3db34eafe7 100644
--- a/Framework/CurveFitting/test/UserFunctionTest.h
+++ b/Framework/CurveFitting/test/Functions/UserFunctionTest.h
@@ -3,11 +3,12 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidAPI/Jacobian.h"
#include "MantidAPI/FunctionDomain1D.h"
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::API;
class UserFunctionTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/VesuvioResolutionTest.h b/Framework/CurveFitting/test/Functions/VesuvioResolutionTest.h
similarity index 96%
rename from Framework/CurveFitting/test/VesuvioResolutionTest.h
rename to Framework/CurveFitting/test/Functions/VesuvioResolutionTest.h
index 2e0fe33a435ea860f9d78d19a367bdbe1ecc6ade..8488b55e50588cf4734bf3b03463c4c3dd374660 100644
--- a/Framework/CurveFitting/test/VesuvioResolutionTest.h
+++ b/Framework/CurveFitting/test/Functions/VesuvioResolutionTest.h
@@ -2,11 +2,11 @@
#define MANTID_CURVEFITTING_VESUVIORESOLUTIONTEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/VesuvioResolution.h"
+#include "MantidCurveFitting/Functions/VesuvioResolution.h"
#include "ComptonProfileTestHelpers.h"
-using Mantid::CurveFitting::VesuvioResolution;
+using Mantid::CurveFitting::Functions::VesuvioResolution;
class VesuvioResolutionTest : public CxxTest::TestSuite {
public:
diff --git a/Framework/CurveFitting/test/VoigtTest.h b/Framework/CurveFitting/test/Functions/VoigtTest.h
similarity index 98%
rename from Framework/CurveFitting/test/VoigtTest.h
rename to Framework/CurveFitting/test/Functions/VoigtTest.h
index 769a77f2d4b6c5e9f70cb825bbf23d2553d9add5..74c76e0aa518baa8c9d7ed76c45d70b2b04ea523 100644
--- a/Framework/CurveFitting/test/VoigtTest.h
+++ b/Framework/CurveFitting/test/Functions/VoigtTest.h
@@ -3,7 +3,7 @@
#include <cxxtest/TestSuite.h>
-#include "MantidCurveFitting/Voigt.h"
+#include "MantidCurveFitting/Functions/Voigt.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionValues.h"
@@ -12,7 +12,7 @@
#include <boost/scoped_ptr.hpp>
#include <boost/make_shared.hpp>
-using Mantid::CurveFitting::Voigt;
+using Mantid::CurveFitting::Functions::Voigt;
using Mantid::API::IFunction;
class VoigtTest : public CxxTest::TestSuite {
diff --git a/Framework/CurveFitting/test/valgrind.h b/Framework/CurveFitting/test/Functions/valgrind.h
similarity index 100%
rename from Framework/CurveFitting/test/valgrind.h
rename to Framework/CurveFitting/test/Functions/valgrind.h
diff --git a/Framework/CurveFitting/test/MultiDomainCreatorTest.h b/Framework/CurveFitting/test/MultiDomainCreatorTest.h
index 96f3dbab2de5fe35887c085723e248f5d63407bd..1694bf0d114b7a05bd639b8defe1c3786fc4461d 100644
--- a/Framework/CurveFitting/test/MultiDomainCreatorTest.h
+++ b/Framework/CurveFitting/test/MultiDomainCreatorTest.h
@@ -12,7 +12,7 @@
#include "MantidAPI/ParamFunction.h"
#include "MantidCurveFitting/MultiDomainCreator.h"
#include "MantidCurveFitting/FitMW.h"
-#include "MantidCurveFitting/UserFunction.h"
+#include "MantidCurveFitting/Functions/UserFunction.h"
#include "MantidKernel/PropertyManager.h"
#include "MantidTestHelpers/FakeObjects.h"
@@ -24,6 +24,7 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
class MultiDomainCreatorTest_Fun : public IFunction1D, public ParamFunction {
public:
diff --git a/Framework/CurveFitting/test/MultiDomainFunctionTest.h b/Framework/CurveFitting/test/MultiDomainFunctionTest.h
index afc12650780ca6f0e630e1e0a5dae6083a6d3a1f..b379b210af6f1737273136468e9e6e052958e2f0 100644
--- a/Framework/CurveFitting/test/MultiDomainFunctionTest.h
+++ b/Framework/CurveFitting/test/MultiDomainFunctionTest.h
@@ -9,9 +9,9 @@
#include "MantidAPI/ParamFunction.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FrameworkManager.h"
-#include "MantidCurveFitting/CostFuncLeastSquares.h"
-#include "MantidCurveFitting/LevenbergMarquardtMDMinimizer.h"
-#include "MantidCurveFitting/Fit.h"
+#include "MantidCurveFitting/CostFunctions/CostFuncLeastSquares.h"
+#include "MantidCurveFitting/FuncMinimizers/LevenbergMarquardtMDMinimizer.h"
+#include "MantidCurveFitting/Algorithms/Fit.h"
#include "MantidTestHelpers/FakeObjects.h"
@@ -22,6 +22,8 @@
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::CostFunctions;
+using namespace Mantid::CurveFitting::Algorithms;
class MultiDomainFunctionTest_Function : public virtual IFunction1D,
public virtual ParamFunction {
@@ -161,7 +163,7 @@ public:
costFun->setFittingFunction(multi, domain, values);
TS_ASSERT_EQUALS(costFun->nParams(), 6);
- LevenbergMarquardtMDMinimizer s;
+ FuncMinimisers::LevenbergMarquardtMDMinimizer s;
s.initialize(costFun);
TS_ASSERT(s.minimize());
@@ -185,7 +187,7 @@ public:
multi->getFunction(2)->setParameter("A", 0);
multi->getFunction(2)->setParameter("B", 0);
- Fit fit;
+ Algorithms::Fit fit;
fit.initialize();
fit.setProperty("Function", boost::dynamic_pointer_cast<IFunction>(multi));
fit.setProperty("InputWorkspace", ws1);
diff --git a/Framework/CurveFitting/test/SpecialFunctionSupportTest.h b/Framework/CurveFitting/test/SpecialFunctionSupportTest.h
index 4117c204942f384dd9403e591a2232cd5aeee87f..60cef0c51dcc6e96a18cd04a3ae6d78e49cb90e0 100644
--- a/Framework/CurveFitting/test/SpecialFunctionSupportTest.h
+++ b/Framework/CurveFitting/test/SpecialFunctionSupportTest.h
@@ -5,7 +5,7 @@
#include <complex>
#include "MantidCurveFitting/SpecialFunctionSupport.h"
-#include "MantidCurveFitting/Lorentzian1D.h"
+#include "MantidCurveFitting/Functions/Lorentzian1D.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/WorkspaceFactory.h"
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadAscii.h b/Framework/DataHandling/inc/MantidDataHandling/LoadAscii.h
index 44e695b5bcd1d3a08be0c73641950774822fbbb9..cf495c009be312933a224018d34b0deb1079edab 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadAscii.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadAscii.h
@@ -5,6 +5,7 @@
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/IFileLoader.h"
+#include "MantidAPI/DeprecatedAlgorithm.h"
namespace Mantid {
namespace DataHandling {
@@ -45,7 +46,8 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DLLExport LoadAscii : public API::IFileLoader<Kernel::FileDescriptor> {
+class DLLExport LoadAscii : public API::IFileLoader<Kernel::FileDescriptor>,
+ public API::DeprecatedAlgorithm {
public:
/// Default constructor
LoadAscii();
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadEventPreNexus.h b/Framework/DataHandling/inc/MantidDataHandling/LoadEventPreNexus.h
index c3f14b233810c5a14e3082ea5bc88725df2ef0ed..328be8a18896d921be8e0a25bd1c6ff8f0185c86 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadEventPreNexus.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadEventPreNexus.h
@@ -5,6 +5,7 @@
#include <string>
#include <vector>
#include "MantidAPI/IFileLoader.h"
+#include "MantidAPI/DeprecatedAlgorithm.h"
#include "MantidKernel/BinaryFile.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/Events.h"
@@ -88,7 +89,8 @@ struct Pulse {
#pragma pack(pop)
class DLLExport LoadEventPreNexus
- : public API::IFileLoader<Kernel::FileDescriptor> {
+ : public API::IFileLoader<Kernel::FileDescriptor>,
+ public API::DeprecatedAlgorithm {
public:
/// Constructor
LoadEventPreNexus();
diff --git a/Framework/DataHandling/src/GroupDetectors2.cpp b/Framework/DataHandling/src/GroupDetectors2.cpp
index 060f54bee77e172c5cfa3da87e6294c5f0aea2c2..4bfba12fc4a42003b33a2c65d620b6507a154fe0 100644
--- a/Framework/DataHandling/src/GroupDetectors2.cpp
+++ b/Framework/DataHandling/src/GroupDetectors2.cpp
@@ -353,7 +353,7 @@ void GroupDetectors2::getGroups(API::MatrixWorkspace_const_sptr workspace,
}
// check we don't have an index that is too high for the workspace
size_t maxIn = static_cast<size_t>(workspace->getNumberHistograms() - 1);
- std::vector<size_t>::const_iterator it = m_GroupSpecInds[0].begin();
+ auto it = m_GroupSpecInds[0].begin();
for (; it != m_GroupSpecInds[0].end(); ++it) {
if (*it > maxIn) {
g_log.error() << "Spectra index " << *it
@@ -375,7 +375,7 @@ void GroupDetectors2::getGroups(API::MatrixWorkspace_const_sptr workspace,
// up date unUsedSpec, this is used to find duplicates and when the user has
// set KeepUngroupedSpectra
- std::vector<size_t>::const_iterator index = m_GroupSpecInds[0].begin();
+ auto index = m_GroupSpecInds[0].begin();
for (; index != m_GroupSpecInds[0].end();
++index) { // the vector<int> m_GroupSpecInds[0] must not index contain
// numbers that don't exist in the workspaace
diff --git a/Framework/DataHandling/src/LoadAscii.cpp b/Framework/DataHandling/src/LoadAscii.cpp
index 747bd5422b98555db8ceb6e6bff37a5245f66abe..74dda663af566b72c71ca5209a90493ddff03af7 100644
--- a/Framework/DataHandling/src/LoadAscii.cpp
+++ b/Framework/DataHandling/src/LoadAscii.cpp
@@ -24,7 +24,9 @@ using namespace Kernel;
using namespace API;
/// Empty constructor
-LoadAscii::LoadAscii() : m_columnSep(), m_separatorIndex() {}
+LoadAscii::LoadAscii() : m_columnSep(), m_separatorIndex() {
+ this->useAlgorithm("LoadAscii", 2);
+}
/**
* Return the confidence with with this algorithm can load the file
diff --git a/Framework/DataHandling/src/LoadEventPreNexus.cpp b/Framework/DataHandling/src/LoadEventPreNexus.cpp
index 43f73c8f10abe5c91fba36406380bfab82c5570c..e6687146f3fab3f327e3d18c3213dddf8b786999 100644
--- a/Framework/DataHandling/src/LoadEventPreNexus.cpp
+++ b/Framework/DataHandling/src/LoadEventPreNexus.cpp
@@ -84,7 +84,9 @@ LoadEventPreNexus::LoadEventPreNexus()
num_good_events(0), num_error_events(0), num_ignored_events(0),
first_event(0), max_events(0), using_mapping_file(false),
loadOnlySomeSpectra(false), spectraLoadMap(), longest_tof(0),
- shortest_tof(0), parallelProcessing(false) {}
+ shortest_tof(0), parallelProcessing(false) {
+ this->useAlgorithm("LoadEventPreNexus", 2);
+}
LoadEventPreNexus::~LoadEventPreNexus() { delete this->eventfile; }
diff --git a/Framework/DataHandling/src/SaveDiffCal.cpp b/Framework/DataHandling/src/SaveDiffCal.cpp
index 66259ba0ad274d6856f16180cc48240a99e183ca..96c2cbe07747c32a9b817a67505126fa137752eb 100644
--- a/Framework/DataHandling/src/SaveDiffCal.cpp
+++ b/Framework/DataHandling/src/SaveDiffCal.cpp
@@ -30,7 +30,8 @@ DECLARE_ALGORITHM(SaveDiffCal)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-SaveDiffCal::SaveDiffCal() {}
+SaveDiffCal::SaveDiffCal()
+ : m_numValues(0), m_calibrationWS(), m_detidToIndex() {}
//----------------------------------------------------------------------------------------------
/** Destructor
diff --git a/Framework/DataHandling/src/SaveGSS.cpp b/Framework/DataHandling/src/SaveGSS.cpp
index 460f326f800f6ccb0538b63aa49f9b59740bf633..3eaa53e20d4f04437f076959ffe3e940e1c2f0d8 100644
--- a/Framework/DataHandling/src/SaveGSS.cpp
+++ b/Framework/DataHandling/src/SaveGSS.cpp
@@ -410,6 +410,7 @@ void writeLogValue(std::ostream &os, const Run &runinfo,
void SaveGSS::writeHeaders(const std::string &format, std::stringstream &os,
double primaryflightpath) const {
const Run &runinfo = inputWS->run();
+ std::ios::fmtflags fflags(os.flags());
// Run number
if (format.compare(SLOG) == 0) {
@@ -483,6 +484,8 @@ void SaveGSS::writeHeaders(const std::string &format, std::stringstream &os,
os << "\n";
}
+ os.flags(fflags);
+
return;
}
@@ -491,10 +494,12 @@ void SaveGSS::writeHeaders(const std::string &format, std::stringstream &os,
*/
inline void writeBankLine(std::stringstream &out, const std::string &bintype,
const int banknum, const size_t datasize) {
+ std::ios::fmtflags fflags(out.flags());
out << "BANK " << std::fixed << std::setprecision(0)
<< banknum // First bank should be 1 for GSAS; this can be changed
<< std::fixed << " " << datasize << std::fixed << " " << datasize
<< std::fixed << " " << bintype;
+ out.flags(fflags);
}
//----------------------------------------------------------------------------------------------
diff --git a/Framework/DataObjects/inc/MantidDataObjects/CalculateReflectometryQxQz.h b/Framework/DataObjects/inc/MantidDataObjects/CalculateReflectometryQxQz.h
index 2656b0085f6924d57618e626b151cacf0d9d1508..7256f47e3bbb7c5b3a8a1936b742f8c057749b9f 100644
--- a/Framework/DataObjects/inc/MantidDataObjects/CalculateReflectometryQxQz.h
+++ b/Framework/DataObjects/inc/MantidDataObjects/CalculateReflectometryQxQz.h
@@ -22,7 +22,8 @@ public:
/**
Constructor
*/
- CalculateReflectometryQxQz() : m_dirQx(0.0), m_dirQz(0.0) {}
+ CalculateReflectometryQxQz()
+ : m_cos_theta_i(0.0), m_sin_theta_i(0.0), m_dirQx(0.0), m_dirQz(0.0) {}
/**
Setter for the incident theta value require for the calculation. Internally
diff --git a/Framework/DataObjects/inc/MantidDataObjects/MDGridBox.tcc b/Framework/DataObjects/inc/MantidDataObjects/MDGridBox.tcc
index d03eb54542a77ee0bdd2b9cd5f04adcf3020215a..4de121711232aa6c6a24fd477c7118097ca62778 100644
--- a/Framework/DataObjects/inc/MantidDataObjects/MDGridBox.tcc
+++ b/Framework/DataObjects/inc/MantidDataObjects/MDGridBox.tcc
@@ -40,10 +40,10 @@ namespace DataObjects {
*/
TMDE(MDGridBox)::MDGridBox(
BoxController *const bc, const uint32_t depth,
- const std::vector<
- Mantid::Geometry::MDDimensionExtents<coord_t>> &extentsVector)
- : MDBoxBase<MDE, nd>(bc, depth, UNDEF_SIZET, extentsVector),
- numBoxes(0), m_Children(), diagonalSquared(0.f), nPoints(0) {
+ const std::vector<Mantid::Geometry::MDDimensionExtents<coord_t>> &
+ extentsVector)
+ : MDBoxBase<MDE, nd>(bc, depth, UNDEF_SIZET, extentsVector), numBoxes(0),
+ m_Children(), diagonalSquared(0.f), nPoints(0) {
initGridBox();
}
@@ -55,8 +55,8 @@ TMDE(MDGridBox)::MDGridBox(
*/
TMDE(MDGridBox)::MDGridBox(
boost::shared_ptr<API::BoxController> &bc, const uint32_t depth,
- const std::vector<
- Mantid::Geometry::MDDimensionExtents<coord_t>> &extentsVector)
+ const std::vector<Mantid::Geometry::MDDimensionExtents<coord_t>> &
+ extentsVector)
: MDBoxBase<MDE, nd>(bc.get(), depth, UNDEF_SIZET, extentsVector),
numBoxes(0), m_Children(), diagonalSquared(0.f), nPoints(0) {
initGridBox();
@@ -68,17 +68,16 @@ template <typename MDE, size_t nd> size_t MDGridBox<MDE, nd>::initGridBox() {
"MDGridBox::ctor(): No BoxController specified in box.");
// How many is it split?
- // If we are at the top level and we have a specific top level split, then set it.
- boost::optional<std::vector<size_t>> splitTopInto = this->m_BoxController->getSplitTopInto();
- if (this->getDepth() == 0 && splitTopInto)
- {
+ // If we are at the top level and we have a specific top level split, then set
+ // it.
+ boost::optional<std::vector<size_t>> splitTopInto =
+ this->m_BoxController->getSplitTopInto();
+ if (this->getDepth() == 0 && splitTopInto) {
for (size_t d = 0; d < nd; d++)
split[d] = splitTopInto.get()[d];
- }
- else
- {
- for (size_t d = 0; d < nd; d++)
- split[d] = this->m_BoxController->getSplitInto(d);
+ } else {
+ for (size_t d = 0; d < nd; d++)
+ split[d] = this->m_BoxController->getSplitInto(d);
}
// Compute sizes etc.
@@ -94,10 +93,9 @@ template <typename MDE, size_t nd> size_t MDGridBox<MDE, nd>::initGridBox() {
* @param box :: MDBox containing the events to split
*/
TMDE(MDGridBox)::MDGridBox(MDBox<MDE, nd> *box)
- : MDBoxBase<MDE, nd>(*box, box->getBoxController()), split(),
- splitCumul(), m_SubBoxSize(), numBoxes(0), m_Children(),
- diagonalSquared(0.f), nPoints(0)
-{
+ : MDBoxBase<MDE, nd>(*box, box->getBoxController()), split(), splitCumul(),
+ m_SubBoxSize(), numBoxes(0), m_Children(), diagonalSquared(0.f),
+ nPoints(0) {
size_t totalSize = initGridBox();
double ChildVol(1);
@@ -188,10 +186,10 @@ void MDGridBox<MDE, nd>::fillBoxShell(const size_t tot,
*/
TMDE(MDGridBox)::MDGridBox(const MDGridBox<MDE, nd> &other,
Mantid::API::BoxController *const otherBC)
- : MDBoxBase<MDE, nd>(other, otherBC), numBoxes(other.numBoxes), m_Children(),
- diagonalSquared(other.diagonalSquared), nPoints(other.nPoints) {
- for (size_t d = 0; d < nd; d++)
- {
+ : MDBoxBase<MDE, nd>(other, otherBC), numBoxes(other.numBoxes),
+ m_Children(), diagonalSquared(other.diagonalSquared),
+ nPoints(other.nPoints) {
+ for (size_t d = 0; d < nd; d++) {
split[d] = other.split[d];
splitCumul[d] = other.splitCumul[d];
m_SubBoxSize[d] = other.m_SubBoxSize[d];
@@ -415,7 +413,7 @@ TMDE(std::vector<MDE> *MDGridBox)::getEventsCopy() {
*/
TMDE(void MDGridBox)::getBoxes(std::vector<API::IMDNode *> &outBoxes,
size_t maxDepth, bool leafOnly) {
- //Add this box, unless we only want the leaves
+ // Add this box, unless we only want the leaves
if (!leafOnly)
outBoxes.push_back(this);
@@ -1465,8 +1463,9 @@ TMDE(void MDGridBox)::integrateCylinder(
coord_t out[nd];
radiusTransform.apply(boxCenter, out);
if (out[0] < std::sqrt(diagonalSquared * 0.72 + radius * radius) &&
- std::fabs(out[1]) <
- std::sqrt(diagonalSquared * 0.72 + 0.25 * length * length)) {
+ (nd >= 1 &&
+ std::fabs(out[1]) <
+ std::sqrt(diagonalSquared * 0.72 + 0.25 * length * length))) {
// If the center is closer than the size of the box, then it MIGHT be
// touching.
// (We multiply by 0.72 (about sqrt(2)) to look for half the diagonal).
diff --git a/Framework/DataObjects/src/EventList.cpp b/Framework/DataObjects/src/EventList.cpp
index efb6e74c71354d9c2d6207883c39d49a6e1e95f2..8dfbd6d9421904169c2016b3f5f11279c626469a 100644
--- a/Framework/DataObjects/src/EventList.cpp
+++ b/Framework/DataObjects/src/EventList.cpp
@@ -548,6 +548,7 @@ EventList &EventList::operator-=(const EventList &more_events) {
minusHelper(this->weightedEvents, more_events.weightedEventsNoTime);
break;
}
+ break;
case WEIGHTED_NOTIME:
switch (more_events.getEventType()) {
@@ -561,6 +562,7 @@ EventList &EventList::operator-=(const EventList &more_events) {
minusHelper(this->weightedEventsNoTime, more_events.weightedEventsNoTime);
break;
}
+ break;
}
// No guaranteed order
diff --git a/Framework/DataObjects/src/PeakColumn.cpp b/Framework/DataObjects/src/PeakColumn.cpp
index b3d7e129cc927636043721605c3517a80c4892a8..f8ffb4af0964c3be9a10fbfb6884363a31dc4dd4 100644
--- a/Framework/DataObjects/src/PeakColumn.cpp
+++ b/Framework/DataObjects/src/PeakColumn.cpp
@@ -134,6 +134,7 @@ const std::type_info &PeakColumn::get_pointer_type_info() const {
void PeakColumn::print(size_t index, std::ostream &s) const {
Peak &peak = m_peaks[index];
+ std::ios::fmtflags fflags(s.flags());
if (m_name == "RunNumber")
s << peak.getRunNumber();
else if (m_name == "DetID")
@@ -152,6 +153,7 @@ void PeakColumn::print(size_t index, std::ostream &s) const {
s << std::fixed << std::setprecision(m_hklPrec) << peak.getL();
} else
s << peak.getValueByColName(m_name);
+ s.flags(fflags);
}
//-------------------------------------------------------------------------------------
diff --git a/Framework/Geometry/src/Crystal/ScalarUtils.cpp b/Framework/Geometry/src/Crystal/ScalarUtils.cpp
index 096cbabf474a832b4b82a10cd92da237707671aa..e92b977edef531ba35d5a1092e8df1dc1ffe07e4 100644
--- a/Framework/Geometry/src/Crystal/ScalarUtils.cpp
+++ b/Framework/Geometry/src/Crystal/ScalarUtils.cpp
@@ -229,7 +229,7 @@ ConventionalCell ScalarUtils::GetCellForForm(const DblMatrix &UB,
if (allowPermutations) {
double angle_tolerance = 2.0;
double length_factor = 1.05;
- UB_list = GetRelatedUBs(UB, angle_tolerance, length_factor);
+ UB_list = GetRelatedUBs(UB, length_factor, angle_tolerance);
} else {
// Get exact form requested and not permutations
UB_list.push_back(UB);
diff --git a/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp b/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
index cdc50169d55ad5ab98597068d3a5a4ced1b04ddb..f4c9afef815111745fea386715ae9a79b4d531ea 100644
--- a/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
+++ b/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
@@ -1554,7 +1554,15 @@ void InstrumentDefinitionParser::populateIdList(Poco::XML::Element *pE,
increment = atoi((pIDElem->getAttribute("step")).c_str());
// check the start end and increment values are sensible
- if (((endID - startID) / increment) < 0) {
+ if (0 == increment) {
+ std::stringstream ss;
+ ss << "The step element cannot be zero, found step: " << increment;
+
+ throw Kernel::Exception::InstrumentDefinitionError(ss.str(),
+ filename);
+ }
+ int numSteps = (endID - startID) / increment;
+ if (numSteps < 0) {
std::stringstream ss;
ss << "The start, end, and step elements do not allow a single id "
"in the idlist entry - ";
@@ -1565,7 +1573,7 @@ void InstrumentDefinitionParser::populateIdList(Poco::XML::Element *pE,
filename);
}
- idList.vec.reserve((endID - startID) / increment);
+ idList.vec.reserve(numSteps);
for (int i = startID; i != endID + increment; i += increment) {
idList.vec.push_back(i);
}
@@ -2301,7 +2309,9 @@ void InstrumentDefinitionParser::createNeutronicInstrument() {
mapTypeNameToShape.find(shapeName);
if (shapeIt != mapTypeNameToShape.end()) {
// Change the shape on the current component to the one requested
- dynamic_cast<ObjComponent *>(it->first)->setShape(shapeIt->second);
+ auto objCmpt = dynamic_cast<ObjComponent *>(it->first);
+ if (objCmpt)
+ objCmpt->setShape(shapeIt->second);
} else {
throw Exception::InstrumentDefinitionError(
"Requested type " + shapeName + " not defined in IDF");
diff --git a/Framework/Geometry/src/Math/Acomp.cpp b/Framework/Geometry/src/Math/Acomp.cpp
index 0788103182bd08ed8d4202180f43ed171f722ee3..75c5fb5fe2be6d8d76bc081899ffbf8b4e10774a 100644
--- a/Framework/Geometry/src/Math/Acomp.cpp
+++ b/Framework/Geometry/src/Math/Acomp.cpp
@@ -366,7 +366,8 @@ Assumes that the component is sorted and inserts appropiately.
for (acp = AX.Comp.begin(); acp != AX.Comp.end(); ++acp) {
std::vector<Acomp>::iterator cpt;
cpt = std::lower_bound(Comp.begin(), Comp.end(), *acp);
- if (cpt == Comp.end() || *cpt != *aup) // Only insert if new
+ if (cpt == Comp.end() ||
+ (AX.Units.end() != aup && *cpt != *aup)) // Only insert if new
Comp.insert(cpt, *acp);
}
return;
@@ -981,6 +982,9 @@ It is set on exit (to the EPI)
break;
}
+ if (PIactive.end() == px)
+ continue;
+
EPI.push_back(PIform[*px]);
// remove all minterm that the EPI covered
for (ddx = DNFactive.begin(); ddx != DNFactive.end(); ++ddx)
diff --git a/Framework/ICat/src/GSoap/stdsoap2.cpp b/Framework/ICat/src/GSoap/stdsoap2.cpp
index ec26daa1e2e5e4ba9c1137565e6c2f1d5d763e28..7a966fb7a437dd7c1b35655b223446dc0506e1f8 100644
--- a/Framework/ICat/src/GSoap/stdsoap2.cpp
+++ b/Framework/ICat/src/GSoap/stdsoap2.cpp
@@ -2386,7 +2386,7 @@ int SOAP_FMAC2 soap_resolve(struct soap *soap) {
"location=%p level=%u,%u id='%s'\n",
ip->type, p, ip->level, fp->level, ip->id));
while (ip->level < k) {
- void **q = (void **)soap_malloc(soap, sizeof(q));
+ void **q = (void **)soap_malloc(soap, sizeof(*q));
if (!q)
return soap->error;
*q = p;
@@ -8188,9 +8188,11 @@ void *SOAP_FMAC2 soap_id_lookup(struct soap *soap, const char *id, void **p,
void *s, **r = &ip->link;
q = (void **)ip->link;
while (q) {
- *r = (void *)soap_malloc(soap, sizeof(void *));
- if (!*r)
+ void **tmp = (void **)soap_malloc(soap, sizeof(void *));
+ if (!tmp)
return NULL;
+ *r = (void *)tmp;
+
s = *q;
*q = *r;
r = (void **)*r;
@@ -10040,7 +10042,7 @@ int SOAP_FMAC2 soap_element_start_end_out(struct soap *soap, const char *tag) {
if (soap->mode & SOAP_XML_CANONICAL) {
struct soap_nlist *np;
for (tp = soap->attributes; tp; tp = tp->next) {
- if (tp->visible && tp->name)
+ if (tp->visible && tp->name[0])
soap_utilize_ns(soap, tp->name);
}
for (np = soap->nlist; np; np = np->next) {
@@ -11048,7 +11050,7 @@ int SOAP_FMAC2 soap_peek_element(struct soap *soap) {
soap->arraySize[sizeof(soap->arrayType) - 1] = '\0';
soap->arrayType[sizeof(soap->arrayType) - 1] = '\0';
} else if (!soap_match_tag(soap, tp->name, "SOAP-ENC:offset"))
- strncpy(soap->arrayOffset, tp->value, sizeof(soap->arrayOffset));
+ strncpy(soap->arrayOffset, tp->value, sizeof(soap->arrayOffset) - 1);
else if (!soap_match_tag(soap, tp->name, "SOAP-ENC:position"))
soap->position = soap_getposition(tp->value, soap->positions);
else if (!soap_match_tag(soap, tp->name, "SOAP-ENC:root"))
diff --git a/Framework/Kernel/inc/MantidKernel/PropertyManagerOwner.h b/Framework/Kernel/inc/MantidKernel/PropertyManagerOwner.h
index 7a095862e9ce2aad426bcb01da21b7910b545aa2..ada32918cb12d35a2b41a9359cce28e8c18ca112 100644
--- a/Framework/Kernel/inc/MantidKernel/PropertyManagerOwner.h
+++ b/Framework/Kernel/inc/MantidKernel/PropertyManagerOwner.h
@@ -65,7 +65,9 @@ public:
void setPropertyOrdinal(const int &index, const std::string &value);
/// Make m_properties point to the same PropertyManager as po.
- void copyPropertiesFrom(const PropertyManagerOwner &po) { *this = po; }
+ virtual void copyPropertiesFrom(const PropertyManagerOwner &po) {
+ *this = po;
+ }
bool existsProperty(const std::string &name) const;
bool validateProperties() const;
diff --git a/Framework/Kernel/src/DateValidator.cpp b/Framework/Kernel/src/DateValidator.cpp
index 2ff99628903731dcf38e75d971c67852a1f8c550..5362fb247e217211a577736781841c1057ccacfe 100644
--- a/Framework/Kernel/src/DateValidator.cpp
+++ b/Framework/Kernel/src/DateValidator.cpp
@@ -28,6 +28,9 @@ struct tm getTimeValue(const std::string &sDate, std::string &error) {
timeinfo.tm_wday = 0;
timeinfo.tm_yday = 0;
timeinfo.tm_isdst = -1;
+#ifndef _WIN32
+ timeinfo.tm_gmtoff = 0;
+#endif
std::basic_string<char>::size_type index, off = 0;
int day, month, year;
diff --git a/Framework/Kernel/src/Matrix.cpp b/Framework/Kernel/src/Matrix.cpp
index f4e1adc13197297776e06c33da66c50614498298..014284f04c4da6b769c33f2d1157cb0390e3f336 100644
--- a/Framework/Kernel/src/Matrix.cpp
+++ b/Framework/Kernel/src/Matrix.cpp
@@ -158,17 +158,20 @@ Matrix<T>::Matrix(const Matrix<T> &A, const size_t nrow, const size_t ncol)
throw Kernel::Exception::IndexError(ncol, A.ny,
"Matrix::Constructor without col");
setMem(nx, ny);
- size_t iR(0);
- for (size_t i = 0; i <= nx; i++) {
- if (i != nrow) {
- size_t jR(0);
- for (size_t j = 0; j <= ny; j++) {
- if (j != ncol) {
- V[iR][jR] = A.V[i][j];
- jR++;
+ if (V) {
+ size_t iR(0);
+ for (size_t i = 0; i <= nx; i++) {
+ if (i != nrow) {
+ size_t jR(0);
+ for (size_t j = 0; j <= ny; j++) {
+ if (j != ncol) {
+
+ V[iR][jR] = A.V[i][j];
+ jR++;
+ }
}
+ iR++;
}
- iR++;
}
}
}
diff --git a/Framework/LiveData/src/ADARA/ADARAParser.cpp b/Framework/LiveData/src/ADARA/ADARAParser.cpp
index 8fe1652ecb61c1985e1538b85869fc1c8d029b3f..1fe48e4b00b4755d3c0e3a73e5c25c8caf289e86 100644
--- a/Framework/LiveData/src/ADARA/ADARAParser.cpp
+++ b/Framework/LiveData/src/ADARA/ADARAParser.cpp
@@ -9,7 +9,7 @@ using namespace ADARA;
Parser::Parser(unsigned int initial_buffer_size, unsigned int max_pkt_size)
: m_size(initial_buffer_size), m_max_size(max_pkt_size), m_len(0),
- m_restart_offset(0), m_oversize_len(0) {
+ m_restart_offset(0), m_oversize_len(0), m_oversize_offset(0) {
m_buffer = new uint8_t[initial_buffer_size];
m_discarded_packets.clear();
}
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/Integrate3DEvents.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/Integrate3DEvents.h
index 2d2b6398fcbc13ef8930008df57da0b01eb015e7..d5a3c71fc66da3866275f0cd6a87bf0c4b5050e5 100644
--- a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/Integrate3DEvents.h
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/Integrate3DEvents.h
@@ -127,10 +127,10 @@ private:
double detectorQ(std::vector<Kernel::V3D> E1Vec,
const Mantid::Kernel::V3D QLabFrame, std::vector<double> &r);
// Private data members
- PeakQMap peak_qs; // hashtable with peak Q-vectors
- EventListMap event_lists; // hashtable with lists of events for each peak
- Kernel::DblMatrix UBinv; // matrix mapping from Q to h,k,l
- double radius; // size of sphere to use for events around a peak
+ PeakQMap m_peak_qs; // hashtable with peak Q-vectors
+ EventListMap m_event_lists; // hashtable with lists of events for each peak
+ Kernel::DblMatrix m_UBinv; // matrix mapping from Q to h,k,l
+ double m_radius; // size of sphere to use for events around a peak
};
} // namespace MDAlgorithms
diff --git a/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp b/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
index 67c0bd24fdb7f2e62820baa3acc1a485a48fe3c2..5bb6cc662e53abe742bfb355143983a89573ce5d 100644
--- a/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
+++ b/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
@@ -24,7 +24,8 @@ DECLARE_ALGORITHM(ConvertCWSDExpToMomentum)
/** Constructor
*/
ConvertCWSDExpToMomentum::ConvertCWSDExpToMomentum()
- : m_iColFilename(2), m_iColStartDetID(3), m_setQRange(true) {}
+ : m_iColFilename(2), m_iColStartDetID(3), m_setQRange(true),
+ m_isBaseName(false) {}
//----------------------------------------------------------------------------------------------
/** Destructor
@@ -201,13 +202,15 @@ void ConvertCWSDExpToMomentum::addMDEvents(bool usevirtual) {
// Check whether to add / or \ to m_dataDir
std::string sep("");
if (m_dataDir.size() > 0) {
- // Determine system
- bool isWindows(false);
+// Determine system
#if _WIN64
- isWindows = true;
-#elif _WIND32
- isWindows = true;
+ const bool isWindows = true;
+#elif _WIN32
+ const bool isWindows = true;
+#else
+ const bool isWindows = false;
#endif
+
if (isWindows && *m_dataDir.rbegin() != '\\') {
sep = "\\";
} else if (!isWindows && *m_dataDir.rbegin() != '/')
diff --git a/Framework/MDAlgorithms/src/ConvertToReflectometryQ.cpp b/Framework/MDAlgorithms/src/ConvertToReflectometryQ.cpp
index 1431b38ae0e1e338d1d4035d2b67584c9cba4ff4..fe2dfbcc3e23ed987c6f0bb5d042c46f8b37ded7 100644
--- a/Framework/MDAlgorithms/src/ConvertToReflectometryQ.cpp
+++ b/Framework/MDAlgorithms/src/ConvertToReflectometryQ.cpp
@@ -353,40 +353,54 @@ void ConvertToReflectometryQ::exec() {
TableWorkspace_sptr vertexes =
boost::make_shared<Mantid::DataObjects::TableWorkspace>();
-
+ Progress transSelectionProg(this, 0.0, 0.1, 2);
if (outputAsMDWorkspace) {
+ transSelectionProg.report("Choosing Transformation");
if (transMethod == centerTransform()) {
auto outputMDWS = transform->executeMD(inputWs, bc);
+ Progress transPerformProg(this, 0.1, 0.7, 5);
+ transPerformProg.report("Performed transformation");
// Copy ExperimentInfo (instrument, run, sample) to the output WS
ExperimentInfo_sptr ei(inputWs->cloneExperimentInfo());
outputMDWS->addExperimentInfo(ei);
outputWS = outputMDWS;
} else if (transMethod == normPolyTransform()) {
+ Progress transPerformProg(this, 0.1, 0.7, 5);
const bool dumpVertexes = this->getProperty("DumpVertexes");
auto vertexesTable = vertexes;
// perform the normalised polygon transformation
+ transPerformProg.report("Performing Transformation");
auto normPolyTrans = transform->executeNormPoly(
inputWs, vertexesTable, dumpVertexes, outputDimensions);
// copy any experiment info from input workspace
normPolyTrans->copyExperimentInfoFrom(inputWs.get());
// produce MDHistoWorkspace from normPolyTrans workspace.
+ Progress outputToMDProg(this, 0.7, 0.75, 10);
auto outputMDWS = transform->executeMDNormPoly(normPolyTrans);
ExperimentInfo_sptr ei(normPolyTrans->cloneExperimentInfo());
outputMDWS->addExperimentInfo(ei);
outputWS = outputMDWS;
+ outputToMDProg.report("Successfully output to MD");
} else {
throw std::runtime_error("Unknown rebinning method: " + transMethod);
}
} else if (transMethod == normPolyTransform()) {
+ transSelectionProg.report("Choosing Transformation");
+ Progress transPerformProg(this, 0.1, 0.7, 5);
const bool dumpVertexes = this->getProperty("DumpVertexes");
auto vertexesTable = vertexes;
// perform the normalised polygon transformation
+ transPerformProg.report("Performing Transformation");
auto output2DWS = transform->executeNormPoly(
inputWs, vertexesTable, dumpVertexes, outputDimensions);
// copy any experiment info from input workspace
output2DWS->copyExperimentInfoFrom(inputWs.get());
outputWS = output2DWS;
+ transPerformProg.report("Transformation Complete");
} else if (transMethod == centerTransform()) {
+ transSelectionProg.report("Choosing Transformation");
+ Progress transPerformProg(this, 0.1, 0.7, 5);
+ transPerformProg.report("Performing Transformation");
auto output2DWS = transform->execute(inputWs);
output2DWS->copyExperimentInfoFrom(inputWs.get());
outputWS = output2DWS;
@@ -397,6 +411,8 @@ void ConvertToReflectometryQ::exec() {
// Execute the transform and bind to the output.
setProperty("OutputWorkspace", outputWS);
setProperty("OutputVertexes", vertexes);
+ Progress setPropertyProg(this, 0.8, 1.0, 2);
+ setPropertyProg.report("Success");
}
} // namespace Mantid
diff --git a/Framework/MDAlgorithms/src/FindPeaksMD.cpp b/Framework/MDAlgorithms/src/FindPeaksMD.cpp
index 1e94707a155f447cab458f8d4b2e3528fef25294..ba70dd4bedd2239fcf40c699cdac43d92045abe3 100644
--- a/Framework/MDAlgorithms/src/FindPeaksMD.cpp
+++ b/Framework/MDAlgorithms/src/FindPeaksMD.cpp
@@ -215,12 +215,15 @@ FindPeaksMD::createPeak(const Mantid::Kernel::V3D &Q, const double binCount) {
boost::shared_ptr<DataObjects::Peak> p;
if (dimType == QLAB) {
// Build using the Q-lab-frame constructor
- p = boost::shared_ptr<DataObjects::Peak>(new Peak(inst, Q));
+ p = boost::make_shared<Peak>(inst, Q);
// Save gonio matrix for later
p->setGoniometerMatrix(m_goniometer);
} else if (dimType == QSAMPLE) {
// Build using the Q-sample-frame constructor
- p = boost::shared_ptr<DataObjects::Peak>(new Peak(inst, Q, m_goniometer));
+ p = boost::make_shared<Peak>(inst, Q, m_goniometer);
+ } else {
+ throw std::invalid_argument(
+ "Cannot Integrate peaks unless the dimension is QLAB or QSAMPLE");
}
try { // Look for a detector
diff --git a/Framework/MDAlgorithms/src/ImportMDEventWorkspace.cpp b/Framework/MDAlgorithms/src/ImportMDEventWorkspace.cpp
index 9bb7c6d1a1723019e115ccda352ef3039a6dccee..8aab04ee8dbf02e05f695e30c90b2100fb472a3a 100644
--- a/Framework/MDAlgorithms/src/ImportMDEventWorkspace.cpp
+++ b/Framework/MDAlgorithms/src/ImportMDEventWorkspace.cpp
@@ -266,7 +266,13 @@ void ImportMDEventWorkspace::exec() {
m_nDimensions + 4; // signal, error, run_no, detector_no
m_IsFullDataObjects = (nActualColumns == columnsForFullEvents);
- m_nDataObjects = posDiffMDEvent / nActualColumns;
+ if (0 == nActualColumns) {
+ m_nDataObjects = 0;
+ g_log.warning() << "The number of actual columns found in the file "
+ "(exlcuding comments) is zero" << std::endl;
+ } else {
+ m_nDataObjects = posDiffMDEvent / nActualColumns;
+ }
// Get the min and max extents in each dimension.
std::vector<double> extentMins(m_nDimensions);
diff --git a/Framework/MDAlgorithms/src/Integrate3DEvents.cpp b/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
index f3db57b5fd7b3652e27e4bf5187cbf8311c872e5..372e9b1ad95a59e2852b7522d4b4e3602fc6a41b 100644
--- a/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
+++ b/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
@@ -35,14 +35,14 @@ using Mantid::Kernel::V3D;
Integrate3DEvents::Integrate3DEvents(
std::vector<std::pair<double, V3D>> const &peak_q_list,
DblMatrix const &UBinv, double radius) {
- this->UBinv = UBinv;
- this->radius = radius;
+ m_UBinv = UBinv;
+ m_radius = radius;
int64_t hkl_key;
for (size_t it = 0; it != peak_q_list.size(); ++it) {
hkl_key = getHklKey(peak_q_list[it].second);
if (hkl_key != 0) // only save if hkl != (0,0,0)
- peak_qs[hkl_key] = peak_q_list[it].second;
+ m_peak_qs[hkl_key] = peak_q_list[it].second;
}
}
@@ -124,7 +124,12 @@ Integrate3DEvents::ellipseIntegrateEvents(
return boost::make_shared<NoShape>();
}
- std::vector<std::pair<double, V3D>> &some_events = event_lists[hkl_key];
+ auto pos = m_event_lists.find(hkl_key);
+ if (m_event_lists.end() == pos)
+ return boost::make_shared<NoShape>();
+ ;
+
+ std::vector<std::pair<double, V3D>> &some_events = pos->second;
if (some_events.size() < 3) // if there are not enough events to
{ // find covariance matrix, return
@@ -132,14 +137,14 @@ Integrate3DEvents::ellipseIntegrateEvents(
}
DblMatrix cov_matrix(3, 3);
- makeCovarianceMatrix(some_events, cov_matrix, radius);
+ makeCovarianceMatrix(some_events, cov_matrix, m_radius);
std::vector<V3D> eigen_vectors;
getEigenVectors(cov_matrix, eigen_vectors);
std::vector<double> sigmas;
for (int i = 0; i < 3; i++) {
- sigmas.push_back(stdDev(some_events, eigen_vectors[i], radius));
+ sigmas.push_back(stdDev(some_events, eigen_vectors[i], m_radius));
}
bool invalid_peak = false;
@@ -392,7 +397,7 @@ int64_t Integrate3DEvents::getHklKey2(V3D const &hkl) {
* @param q_vector The q_vector to be mapped to h,k,l
*/
int64_t Integrate3DEvents::getHklKey(V3D const &q_vector) {
- V3D hkl = UBinv * q_vector;
+ V3D hkl = m_UBinv * q_vector;
int h = boost::math::iround<double>(hkl[0]);
int k = boost::math::iround<double>(hkl[1]);
int l = boost::math::iround<double>(hkl[2]);
@@ -424,15 +429,15 @@ void Integrate3DEvents::addEvent(std::pair<double, V3D> event_Q,
if (hkl_key == 0) // don't keep events associated with 0,0,0
return;
- auto peak_it = peak_qs.find(hkl_key);
- if (peak_it != peak_qs.end()) {
+ auto peak_it = m_peak_qs.find(hkl_key);
+ if (peak_it != m_peak_qs.end()) {
if (!peak_it->second.nullVector()) {
if (hkl_integ)
- event_Q.second = event_Q.second - UBinv * peak_it->second;
+ event_Q.second = event_Q.second - m_UBinv * peak_it->second;
else
event_Q.second = event_Q.second - peak_it->second;
- if (event_Q.second.norm() < radius) {
- event_lists[hkl_key].push_back(event_Q);
+ if (event_Q.second.norm() < m_radius) {
+ m_event_lists[hkl_key].push_back(event_Q);
}
}
}
@@ -511,8 +516,8 @@ PeakShapeEllipsoid_const_sptr Integrate3DEvents::ellipseIntegrateEvents(
// if necessary restrict the background ellipsoid
// to lie within the specified sphere, and adjust
// the other sizes, proportionally
- if (r3 * max_sigma > radius) {
- r3 = radius / max_sigma;
+ if (r3 * max_sigma > m_radius) {
+ r3 = m_radius / max_sigma;
r1 = r3 * 0.79370053f; // This value for r1 and r2 makes the background
r2 = r1; // shell volume equal to the peak region volume.
}
diff --git a/Framework/MDAlgorithms/src/IntegrateMDHistoWorkspace.cpp b/Framework/MDAlgorithms/src/IntegrateMDHistoWorkspace.cpp
index 711de48f4bf03d29ae298d0aaebf6c47f0f01693..1468a6001c3194cd40433439827f19207efa27ae 100644
--- a/Framework/MDAlgorithms/src/IntegrateMDHistoWorkspace.cpp
+++ b/Framework/MDAlgorithms/src/IntegrateMDHistoWorkspace.cpp
@@ -386,6 +386,10 @@ void IntegrateMDHistoWorkspace::exec() {
// Create a thread-local input iterator.
boost::scoped_ptr<MDHistoWorkspaceIterator> inIterator(
dynamic_cast<MDHistoWorkspaceIterator *>(inWS->createIterator()));
+ if (!inIterator) {
+ throw std::runtime_error(
+ "Could not convert IMDIterator to a MDHistoWorkspaceIterator");
+ }
/*
We jump to the iterator position which is closest in the model
diff --git a/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py b/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
index e587a1bfdef0c883ffd6d29d8e7955c34d6b0dfe..477cf69705777a9ce74bfb877129a6023557327e 100644
--- a/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
+++ b/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
@@ -132,6 +132,20 @@ class LoadVesuvio(LoadEmptyVesuvio):
else:
self._exec_single_foil_state_mode()
+#----------------------------------------------------------------------------------------
+
+ def validateInputs(self):
+ issues = {}
+
+ # Validtae run number ranges
+ run_str = self.getProperty(RUN_PROP).value
+ if "-" in run_str:
+ lower, upper = run_str.split("-")
+ if upper < lower:
+ issues[RUN_PROP] = "Range must be in format lower-upper"
+
+ return issues
+
#----------------------------------------------------------------------------------------
def _exec_difference_mode(self):
@@ -346,24 +360,42 @@ class LoadVesuvio(LoadEmptyVesuvio):
if index == 0:
out_name, out_mon = SUMMED_WS, SUMMED_MON
else:
- out_name, out_mon = SUMMED_WS+'tmp', SUMMED_MON + 'tmp'
+ out_name, out_mon = SUMMED_WS + 'tmp', SUMMED_MON + 'tmp'
+
# Load data
- ms.LoadRaw(Filename=run, SpectrumList=spectra,
- OutputWorkspace=out_name, LoadMonitors='Exclude',EnableLogging=_LOGGING_)
- ms.LoadRaw(Filename=run,SpectrumList=self._mon_spectra,
- OutputWorkspace=out_mon,EnableLogging=_LOGGING_)
- if index > 0: # sum
- ms.Plus(LHSWorkspace=SUMMED_WS, RHSWorkspace=out_name,
- OutputWorkspace=SUMMED_WS,EnableLogging=_LOGGING_)
- ms.Plus(LHSWorkspace=SUMMED_MON, RHSWorkspace=out_mon,
- OutputWorkspace=SUMMED_MON,EnableLogging=_LOGGING_)
- ms.DeleteWorkspace(out_name,EnableLogging=_LOGGING_)
- ms.DeleteWorkspace(out_mon,EnableLogging=_LOGGING_)
-
- ms.CropWorkspace(Inputworkspace= SUMMED_WS, OutputWorkspace= SUMMED_WS,
- XMax=self._tof_max,EnableLogging=_LOGGING_)
- ms.CropWorkspace(Inputworkspace= SUMMED_MON, OutputWorkspace= SUMMED_MON,
- XMax=self._mon_tof_max, EnableLogging=_LOGGING_)
+ ms.LoadRaw(Filename=run,
+ SpectrumList=spectra,
+ OutputWorkspace=out_name,
+ LoadMonitors='Exclude',
+ EnableLogging=_LOGGING_)
+ ms.LoadRaw(Filename=run,
+ SpectrumList=self._mon_spectra,
+ OutputWorkspace=out_mon,
+ EnableLogging=_LOGGING_)
+
+ # Sum
+ if index > 0:
+ ms.Plus(LHSWorkspace=SUMMED_WS,
+ RHSWorkspace=out_name,
+ OutputWorkspace=SUMMED_WS,
+ EnableLogging=_LOGGING_)
+ ms.Plus(LHSWorkspace=SUMMED_MON,
+ RHSWorkspace=out_mon,
+ OutputWorkspace=SUMMED_MON,
+ EnableLogging=_LOGGING_)
+
+ ms.DeleteWorkspace(out_name, EnableLogging=_LOGGING_)
+ ms.DeleteWorkspace(out_mon, EnableLogging=_LOGGING_)
+
+ ms.CropWorkspace(Inputworkspace= SUMMED_WS,
+ OutputWorkspace=SUMMED_WS,
+ XMax=self._tof_max,
+ EnableLogging=_LOGGING_)
+ ms.CropWorkspace(Inputworkspace= SUMMED_MON,
+ OutputWorkspace=SUMMED_MON,
+ XMax=self._mon_tof_max,
+ EnableLogging=_LOGGING_)
+
return mtd[SUMMED_WS], mtd[SUMMED_MON]
#----------------------------------------------------------------------------------------
@@ -375,9 +407,9 @@ class LoadVesuvio(LoadEmptyVesuvio):
run_str = self.getProperty(RUN_PROP).value
# Load is not doing the right thing when summing. The numbers don't look correct
if "-" in run_str:
- lower,upper = run_str.split("-")
+ lower, upper = run_str.split("-")
# Range goes lower to up-1 but we want to include the last number
- runs = range(int(lower),int(upper)+1)
+ runs = range(int(lower), int(upper)+1)
elif "," in run_str:
runs = run_str.split(",")
diff --git a/Framework/PythonInterface/plugins/algorithms/SavePlot1DAsJson.py b/Framework/PythonInterface/plugins/algorithms/SavePlot1DAsJson.py
index f52fad8cdc115c57000329048628b138798af648..7bc6cc433707c03185ec1ec1402151f124a6de45 100644
--- a/Framework/PythonInterface/plugins/algorithms/SavePlot1DAsJson.py
+++ b/Framework/PythonInterface/plugins/algorithms/SavePlot1DAsJson.py
@@ -1,4 +1,4 @@
-#pylint: disable=no-init,unused-variable
+#pylint: disable=no-init,unused-variable,invalid-name,bare-except
from mantid.api import *
from mantid.kernel import *
@@ -76,30 +76,47 @@ class SavePlot1DAsJson(PythonAlgorithm):
return
def _serialize(self, workspace, plotname):
- wname = plotname or workspace.getName()
+ pname = plotname or workspace.getName()
# init dictionary
ishist = workspace.isHistogramData()
plottype = "histogram" if ishist else "point"
- serialized = {"type": plottype}
- # helper
- label = lambda axis: "%s (%s)" % (
- axis.getUnit().caption(),
- axis.getUnit().symbol() or 1,
+ serialized = dict(
+ type = plottype,
+ data = dict(),
)
# loop over spectra
for i in range(workspace.getNumberHistograms()):
- k = "%s%s" % (wname, i)
- value = dict(
- x=list(workspace.readX(i)),
- y=list(workspace.readY(i)),
- e=list(workspace.readE(i)),
- xlabel=label(workspace.getAxis(0)),
- ylabel=label(workspace.getAxis(1)),
- title="long title of %s" % k,
- )
- serialized[k] = value
+ spectrum_no = workspace.getSpectrum(i).getSpectrumNo()
+ # Why do we need label?
+ # label = "%s_spectrum_%d" % (pname, spectrum_no)
+ # labels.append(label)
+ # or title?
+ # title = "%s - spectrum %d" % (workspace.getTitle(), spectrum_no)
+ arr = [
+ list(workspace.readX(i)),
+ list(workspace.readY(i)),
+ list(workspace.readE(i)),
+ ]
+ serialized['data'][spectrum_no] = arr
continue
- return serialized
+ # axes
+ # .. helper
+ label = lambda axis: axis.getUnit().caption()
+ def unit(axis):
+ s = axis.getUnit().symbol()
+ try:
+ return s.latex()
+ except:
+ return '%s' % s
+ axes = dict(
+ xlabel=label(workspace.getAxis(0)),
+ ylabel=label(workspace.getAxis(1)),
+ xunit = unit(workspace.getAxis(0)),
+ # yunit = unit(workspace.getAxis(1)),
+ yunit = workspace.YUnitLabel(),
+ )
+ serialized['axes'] = axes
+ return {pname: serialized}
# Register algorithm with Mantid
diff --git a/Framework/PythonInterface/plugins/algorithms/TOFTOFCropWorkspace.py b/Framework/PythonInterface/plugins/algorithms/TOFTOFCropWorkspace.py
new file mode 100644
index 0000000000000000000000000000000000000000..c7c6f387adb444ff9c0b0ded8ac87c33c0f3bd99
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/TOFTOFCropWorkspace.py
@@ -0,0 +1,70 @@
+from mantid.api import PythonAlgorithm, AlgorithmFactory, WorkspaceProperty # , WorkspaceUnitValidator
+from mantid.kernel import Direction
+import mantid.simpleapi as api
+
+
+class TOFTOFCropWorkspace(PythonAlgorithm):
+ """ Crop empty time channels
+ """
+ def __init__(self):
+ PythonAlgorithm.__init__(self)
+
+ def category(self):
+ """ Return category
+ """
+ return "PythonAlgorithms\\MLZ\\TOFTOF;Utility"
+
+ def name(self):
+ """ Return summary
+ """
+ return "TOFTOFCropWorkspace"
+
+ def summary(self):
+ return "Crop empty time channels."
+
+ def PyInit(self):
+ """ Declare properties
+ """
+ # better would be to use the validator, but it fails if WorkspaceGroup is given as an input
+ # self.declareProperty(WorkspaceProperty("InputWorkspace", "", direction=Direction.Input,
+ # validator=WorkspaceUnitValidator('TOF')),
+ # doc="Input workspace.")
+ self.declareProperty(WorkspaceProperty("InputWorkspace", "", direction=Direction.Input),
+ doc="Input workspace.")
+ self.declareProperty(WorkspaceProperty("OutputWorkspace", "", direction=Direction.Output),
+ doc="Name of the workspace that will contain the results")
+ return
+
+ def validateInputs(self):
+ issues = dict()
+ input_workspace = self.getProperty("InputWorkspace").value
+
+ xunit = input_workspace.getAxis(0).getUnit().unitID()
+ if xunit != 'TOF':
+ issues['InputWorkspace'] = "X axis units must be TOF. "
+
+ # check for required properties
+ run = input_workspace.getRun()
+ if not run.hasProperty('channel_width'):
+ issues['InputWorkspace'] = "Input workpsace must have sample log channel_width."
+ if not run.hasProperty('full_channels'):
+ issues['InputWorkspace'] = "Input workpsace must have sample log full_channels."
+
+ return issues
+
+ def PyExec(self):
+ """ Main execution body
+ """
+ inputws = self.getProperty("InputWorkspace").value
+ outputws = self.getProperty("OutputWorkspace").value
+
+ run = inputws.getRun()
+ channel_width = float(run.getLogData('channel_width').value)
+ full_channels = float(run.getLogData('full_channels').value)
+
+ outputws = api.CropWorkspace(inputws, XMin=0., XMax=full_channels*channel_width, OutputWorkspace=outputws)
+ self.setProperty("OutputWorkspace", outputws)
+
+
+# Register algorithm with Mantid.
+AlgorithmFactory.subscribe(TOFTOFCropWorkspace)
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt b/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
index c12c040cddbff6f851d86f23bfa144fc0bbeb73f..512bbcf54bb99005c226817590357887ddf922e3 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/CMakeLists.txt
@@ -75,6 +75,7 @@ set ( TEST_PY_FILES
UpdatePeakParameterTableValueTest.py
SANSSubtractTest.py
TimeSliceTest.py
+ TOFTOFCropWorkspaceTest.py
TOFTOFMergeRunsTest.py
TOSCABankCorrectionTest.py
TransformToIqtTest.py
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/SavePlot1DAsJsonTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/SavePlot1DAsJsonTest.py
index 6e8c6100e3f2d764c4aa5a8b6c5bdb8961b02cbc..62f8c938fa13402e41580886bc0c61f632ad58d6 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/SavePlot1DAsJsonTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/SavePlot1DAsJsonTest.py
@@ -1,4 +1,4 @@
-#pylint: disable=invalid-name,too-many-public-methods
+#pylint: disable=invalid-name,too-many-public-methods,too-many-arguments
import unittest
import numpy as np
import mantid.simpleapi as api
@@ -9,13 +9,13 @@ from mantid.api import AnalysisDataService
import os, json
-class SaveVulcanGSSTest(unittest.TestCase):
+class SavePlot1DAsJsonTest(unittest.TestCase):
def test_save_one_curve(self):
""" Test to Save one curve
"""
- datawsname = "TestOneCurve"
- E, I, err = self._createOneCurve(datawsname)
+ datawsname = "constant energy cut"
+ E, I, err = self._createOneQCurve(datawsname)
# Execute
out_path = "tempout_curve.json"
@@ -26,11 +26,9 @@ class SaveVulcanGSSTest(unittest.TestCase):
# executed?
self.assertTrue(alg_test.isExecuted())
# Verify ....
- d = json.load(open(out_path))
- d0 = d[datawsname+'0'] # plots are numbered
- np.testing.assert_array_equal(d0['x'], E)
- np.testing.assert_array_equal(d0['y'], I)
- np.testing.assert_array_equal(d0['e'], err)
+ d = json.load(open(out_path))[datawsname]
+ self.assertEqual(d['type'], 'point')
+ self._checkData(d, E, I, err)
# Delete the output file
os.remove(out_path)
return
@@ -51,11 +49,8 @@ class SaveVulcanGSSTest(unittest.TestCase):
# Executed?
self.assertTrue(alg_test.isExecuted())
# Verify ....
- d = json.load(open(out_path))
- d0 = d[datawsname+'0'] # plots are numbered
- np.testing.assert_array_equal(d0['x'], E)
- np.testing.assert_array_equal(d0['y'], I)
- np.testing.assert_array_equal(d0['e'], err)
+ d = json.load(open(out_path))[datawsname]
+ self._checkData(d, E, I, err)
# test overwrite
alg_test = run_algorithm(
"SavePlot1DAsJson",
@@ -80,14 +75,9 @@ class SaveVulcanGSSTest(unittest.TestCase):
# executed?
self.assertTrue(alg_test.isExecuted())
# Verify ....
- d = json.load(open(out_path))
- d0 = d[datawsname+'0'] # plots are numbered
- np.testing.assert_array_equal(d0['x'], E)
- np.testing.assert_array_equal(d0['y'], I)
- np.testing.assert_array_equal(d0['e'], err)
- d1 = d[datawsname+'1'] #
- np.testing.assert_array_equal(d1['y'], I2)
- np.testing.assert_array_equal(d1['e'], err2)
+ d = json.load(open(out_path))[datawsname]
+ self._checkData(d, E, I, err)
+ self._checkData(d, E, I2, err2, ID="2")
# Delete the output file
os.remove(out_path)
return
@@ -97,6 +87,7 @@ class SaveVulcanGSSTest(unittest.TestCase):
""" Test to Save one curve with a name specified by client
"""
datawsname = "TestOneCurve"
+ plotname = "myplot"
E, I, err = self._createOneCurve(datawsname)
# Execute
out_path = "tempout_curve_withname.json"
@@ -104,36 +95,55 @@ class SaveVulcanGSSTest(unittest.TestCase):
"SavePlot1DAsJson",
InputWorkspace = datawsname,
JsonFilename = out_path,
- PlotName = "myplot")
+ PlotName = plotname)
# executed?
self.assertTrue(alg_test.isExecuted())
# Verify ....
- d = json.load(open(out_path))
- plotname = "myplot"
- d0 = d[plotname+'0'] # plots are numbered
- np.testing.assert_array_equal(d0['x'], E)
- np.testing.assert_array_equal(d0['y'], I)
- np.testing.assert_array_equal(d0['e'], err)
+ d = json.load(open(out_path))[plotname]
+ self._checkData(d, E, I, err)
# Delete the output file
os.remove(out_path)
return
+ def _checkData(self, s, E, I, err, ID="1"):
+ d0 = s["data"][ID]
+ np.testing.assert_array_equal(d0[0], E)
+ np.testing.assert_array_equal(d0[1], I)
+ np.testing.assert_array_equal(d0[2], err)
+ return
+
+
def _createOneCurve(self, datawsname):
""" Create data workspace
"""
- E = np.arange(-50, 50, 1.0)
+ E = np.arange(-50, 50, 10.0)
I = 1000 * np.exp(-E**2/10**2)
err = I ** .5
# create workspace
dataws = api.CreateWorkspace(
DataX = E, DataY = I, DataE = err, NSpec = 1,
- UnitX = "Energy(meV)")
+ UnitX = "Energy")
# Add to data service
AnalysisDataService.addOrReplace(datawsname, dataws)
return E, I, err
+ def _createOneQCurve(self, datawsname):
+ """ Create data workspace
+ """
+ Q = np.arange(0, 13, 1.0)
+ I = 1000 * np.exp(-Q**2/10**2)
+ err = I ** .5
+ # create workspace
+ dataws = api.CreateWorkspace(
+ DataX = Q, DataY = I, DataE = err, NSpec = 1,
+ UnitX = "Momentum")
+ # Add to data service
+ AnalysisDataService.addOrReplace(datawsname, dataws)
+ return Q, I, err
+
+
def _createOneHistogram(self, datawsname):
""" Create data workspace
"""
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/TOFTOFCropWorkspaceTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/TOFTOFCropWorkspaceTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..14651813e297fe91d44d8e8006bfc41db7655bbb
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/TOFTOFCropWorkspaceTest.py
@@ -0,0 +1,59 @@
+import unittest
+from mantid.simpleapi import Load, DeleteWorkspace, GroupWorkspaces, TOFTOFCropWorkspace
+from testhelpers import run_algorithm
+from mantid.api import AnalysisDataService
+
+
+class TOFTOFCropWorkspaceTest(unittest.TestCase):
+
+ _input_ws = None
+ _cropped_ws = None
+
+ def setUp(self):
+ input_ws = Load(Filename="TOFTOFTestdata.nxs")
+ self._input_ws = input_ws
+
+ def test_basicrun(self):
+ OutputWorkspaceName = "cropped_ws"
+ alg_test = run_algorithm("TOFTOFCropWorkspace",
+ InputWorkspace=self._input_ws,
+ OutputWorkspace=OutputWorkspaceName)
+ self.assertTrue(alg_test.isExecuted())
+ self._cropped_ws = AnalysisDataService.retrieve(OutputWorkspaceName)
+
+ run = self._cropped_ws.getRun()
+ # check existence of required entries in logs
+ self.assertTrue('full_channels' in run.keys())
+ self.assertTrue('channel_width' in run.keys())
+ # check their values
+ full_channels = float(run.getLogData('full_channels').value)
+ channel_width = float(run.getLogData('channel_width').value)
+ self.assertTrue(full_channels > 0.)
+ self.assertTrue(channel_width > 0.)
+ # check unit horizontal axis
+ self.assertEqual(self._cropped_ws.getAxis(0).getUnit().unitID(), 'TOF')
+ # check length of cropped ws
+ self.assertEqual(len(self._cropped_ws.readX(0)), int(full_channels))
+
+ def test_inputgroup(self):
+ group = GroupWorkspaces([self._input_ws])
+ OutputWorkspaceName = "cropped_ws"
+ alg_test = run_algorithm("TOFTOFCropWorkspace",
+ InputWorkspace=group,
+ OutputWorkspace=OutputWorkspaceName)
+ self.assertTrue(alg_test.isExecuted())
+
+ def test_invalid_xunits(self):
+ self._input_ws.getAxis(0).setUnit('Wavelength')
+ OutputWorkspaceName = "cropped_ws"
+ self.assertRaises(RuntimeError, TOFTOFCropWorkspace, InputWorkspace=self._input_ws,
+ OutputWorkspace=OutputWorkspaceName)
+
+ def cleanUp(self):
+ if AnalysisDataService.doesExist(self._input_ws):
+ DeleteWorkspace(self._input_ws)
+ if AnalysisDataService.doesExist(self._cropped_ws):
+ DeleteWorkspace(self._cropped_ws)
+
+if __name__ == "__main__":
+ unittest.main()
diff --git a/Framework/SINQ/inc/MantidSINQ/PoldiFitPeaks2D.h b/Framework/SINQ/inc/MantidSINQ/PoldiFitPeaks2D.h
index 973c128b27ba685ec33b4abfe7b79f178da2f9a5..1a7c1005d68692eb07359cc90d0ad0731cadf8ed 100644
--- a/Framework/SINQ/inc/MantidSINQ/PoldiFitPeaks2D.h
+++ b/Framework/SINQ/inc/MantidSINQ/PoldiFitPeaks2D.h
@@ -6,6 +6,7 @@
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/IFunction.h"
#include "MantidAPI/IPeakFunction.h"
+#include "MantidGeometry/Crystal/PointGroup.h"
#include "MantidKernel/Matrix.h"
@@ -104,6 +105,9 @@ protected:
getFunctionPawley(std::string profileFunctionName,
const PoldiPeakCollection_sptr &peakCollection);
+ std::string getCrystalSystemFromPointGroup(
+ const Geometry::PointGroup_sptr &pointGroup) const;
+
std::string
getRefinedStartingCell(const std::string &initialCell,
const std::string &crystalSystem,
diff --git a/Framework/SINQ/src/PoldiFitPeaks2D.cpp b/Framework/SINQ/src/PoldiFitPeaks2D.cpp
index 5ace6536c53526aaddd76b1e7faec2a84e5e7b44..dc9755d28fbc0efb9ba8f4463e93b03d0c66e3dc 100644
--- a/Framework/SINQ/src/PoldiFitPeaks2D.cpp
+++ b/Framework/SINQ/src/PoldiFitPeaks2D.cpp
@@ -546,8 +546,7 @@ Poldi2DFunction_sptr PoldiFitPeaks2D::getFunctionPawley(
"peaks do not have point group.");
}
- std::string crystalSystem =
- getCrystalSystemAsString(pointGroup->crystalSystem());
+ std::string crystalSystem = getCrystalSystemFromPointGroup(pointGroup);
pawleyFunction->setCrystalSystem(crystalSystem);
UnitCell cell = peakCollection->unitCell();
@@ -575,6 +574,35 @@ Poldi2DFunction_sptr PoldiFitPeaks2D::getFunctionPawley(
return mdFunction;
}
+/**
+ * Returns the crystal system for the specified point group
+ *
+ * This function simply uses Geometry::getCrystalSystemAsString(), except when
+ * the crystal system is trigonal but the point group uses hexagonal axes. In
+ * that case this function returns the string for PointGroup::Hexagonal.
+ *
+ * @param pointGroup :: The point group for which to find the crystal system
+ * @return The crystal system for the point group
+ */
+std::string PoldiFitPeaks2D::getCrystalSystemFromPointGroup(
+ const PointGroup_sptr &pointGroup) const {
+ if (!pointGroup) {
+ throw std::invalid_argument(
+ "Cannot return crystal system for null PointGroup.");
+ }
+
+ PointGroup::CrystalSystem crystalSystem = pointGroup->crystalSystem();
+
+ if (crystalSystem == PointGroup::Trigonal) {
+ if (pointGroup->getCoordinateSystem() ==
+ Group::CoordinateSystem::Hexagonal) {
+ return getCrystalSystemAsString(PointGroup::Hexagonal);
+ }
+ }
+
+ return getCrystalSystemAsString(crystalSystem);
+}
+
/**
* Tries to refine the initial cell using the supplied peaks
*
diff --git a/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp b/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
index 4a3ec4167a2bcbb4b2ea8d71ff9529c35d134574..48b5317b0eacdd7fdf4cc32a6cb5af86b2223ca7 100644
--- a/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
+++ b/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
@@ -385,6 +385,18 @@ UncertainValue PoldiAutoCorrelationCore::getCMessAndCSigma(
case 2: {
int middleIndex = cleanIndex((locator.icmin + 1), m_timeBinCount);
+ if (middleIndex < 0) {
+ m_logger.warning() << "Inconsistency foun while calculating correlation "
+ "intensity and error for d-value: "
+ << boost::lexical_cast<std::string>(dValue)
+ << ", with detector index: "
+ << boost::lexical_cast<std::string>(index)
+ << ", got middle index: "
+ << boost::lexical_cast<std::string>(middleIndex)
+ << ", ignoring it." << std::endl;
+ break;
+ }
+
double counts = getCounts(locator.detectorElement, middleIndex);
double normCounts = getNormCounts(locator.detectorElement, middleIndex);
diff --git a/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp b/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
index 02f23178125755897c583659e66ec70e8ca6ed16..665b2f1eefa67af58661bb36d0e4c8d86b5c6904 100644
--- a/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
+++ b/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
@@ -99,6 +99,15 @@ void PoldiResidualCorrelationCore::distributeCorrelationCounts(
case 2: {
int middleIndex = cleanIndex((locator.icmin + 1), m_timeBinCount);
+ if (middleIndex < 0) {
+ m_logger.warning()
+ << "Inconsistency foun while calculating distribute "
+ "correlation counts for d-value with index "
+ << boost::lexical_cast<std::string>(k) << ", got middle index: "
+ << boost::lexical_cast<std::string>(middleIndex)
+ << ", ignoring it." << std::endl;
+ break;
+ }
addToCountData(locator.detectorElement, middleIndex, deltaForD);
}
case 1: {
diff --git a/Framework/SINQ/test/PoldiFitPeaks1D2Test.h b/Framework/SINQ/test/PoldiFitPeaks1D2Test.h
index 4ced3e46bad5c158d1d9ef7f047fa179be817d44..35fbec1cc249f38f5f47758afc1a36845b5b3002 100644
--- a/Framework/SINQ/test/PoldiFitPeaks1D2Test.h
+++ b/Framework/SINQ/test/PoldiFitPeaks1D2Test.h
@@ -9,8 +9,7 @@
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/IPeakFunction.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/FlatBackground.h"
+#include "MantidCurveFitting/Functions/FlatBackground.h"
#include "MantidSINQ/PoldiUtilities/PoldiPeak.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -21,6 +20,7 @@ using Mantid::Poldi::PoldiFitPeaks1D2;
using namespace Mantid::Poldi;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::Kernel;
using namespace Mantid::DataObjects;
diff --git a/Framework/SINQ/test/PoldiFitPeaks1DTest.h b/Framework/SINQ/test/PoldiFitPeaks1DTest.h
index a2158802104fad5391ed961eec6a2eced22c43b3..452d6472c3987e074ea2ba878042f6b2cca616c4 100644
--- a/Framework/SINQ/test/PoldiFitPeaks1DTest.h
+++ b/Framework/SINQ/test/PoldiFitPeaks1DTest.h
@@ -9,8 +9,7 @@
#include "MantidAPI/CompositeFunction.h"
#include "MantidAPI/IPeakFunction.h"
-#include "MantidCurveFitting/Gaussian.h"
-#include "MantidCurveFitting/FlatBackground.h"
+#include "MantidCurveFitting/Functions/FlatBackground.h"
#include "MantidSINQ/PoldiUtilities/PoldiPeak.h"
@@ -18,6 +17,7 @@ using Mantid::Poldi::PoldiFitPeaks1D;
using namespace Mantid::Poldi;
using namespace Mantid::API;
using namespace Mantid::CurveFitting;
+using namespace Mantid::CurveFitting::Functions;
using namespace Mantid::Kernel;
class TestablePoldiFitPeaks1D : public Mantid::Poldi::PoldiFitPeaks1D {
diff --git a/Framework/SINQ/test/PoldiFitPeaks2DTest.h b/Framework/SINQ/test/PoldiFitPeaks2DTest.h
index da95dd9141476a4b1fdef8b7604b044ff0b0f45a..a9f11eb2d9af4e130098bdbf47729f9625cfc4e6 100644
--- a/Framework/SINQ/test/PoldiFitPeaks2DTest.h
+++ b/Framework/SINQ/test/PoldiFitPeaks2DTest.h
@@ -433,6 +433,40 @@ public:
TS_ASSERT_EQUALS(refinedCell, "5 5 5 90 90 90");
}
+ void testGetCrystalSystemFromPointGroup() {
+ TestablePoldiFitPeaks2D alg;
+
+ auto pgCubic = PointGroupFactory::Instance().createPointGroup("m-3m");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgCubic), "Cubic");
+
+ auto pgTetra = PointGroupFactory::Instance().createPointGroup("4/mmm");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgTetra), "Tetragonal");
+
+ auto pgOrtho = PointGroupFactory::Instance().createPointGroup("mmm");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgOrtho),
+ "Orthorhombic");
+
+ auto pgMono = PointGroupFactory::Instance().createPointGroup("2/m");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgMono), "Monoclinic");
+
+ auto pgTric = PointGroupFactory::Instance().createPointGroup("-1");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgTric), "Triclinic");
+
+ auto pgHex = PointGroupFactory::Instance().createPointGroup("6/mmm");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgHex), "Hexagonal");
+
+ auto pgTrigRh = PointGroupFactory::Instance().createPointGroup("-3m r");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgTrigRh), "Trigonal");
+
+ auto pgTrigHex = PointGroupFactory::Instance().createPointGroup("-3m");
+ TS_ASSERT_EQUALS(alg.getCrystalSystemFromPointGroup(pgTrigHex),
+ "Hexagonal");
+
+ PointGroup_sptr invalid;
+ TS_ASSERT_THROWS(alg.getCrystalSystemFromPointGroup(invalid),
+ std::invalid_argument);
+ }
+
private:
PoldiInstrumentAdapter_sptr m_instrument;
PoldiTimeTransformer_sptr m_timeTransformer;
diff --git a/Framework/SINQ/test/PoldiSpectrumDomainFunctionTest.h b/Framework/SINQ/test/PoldiSpectrumDomainFunctionTest.h
index f9eb10908965fcbc41cb3fb4ab9d8c382c5a8382..492393f6b0a8a8122190cbd8da275650fb1d74fe 100644
--- a/Framework/SINQ/test/PoldiSpectrumDomainFunctionTest.h
+++ b/Framework/SINQ/test/PoldiSpectrumDomainFunctionTest.h
@@ -12,7 +12,6 @@
#include "MantidAPI/FunctionValues.h"
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MultiDomainFunction.h"
-#include "MantidCurveFitting/Gaussian.h"
#include "MantidCurveFitting/FitMW.h"
#include "MantidCurveFitting/Jacobian.h"
diff --git a/Framework/WorkflowAlgorithms/src/RefReduction.cpp b/Framework/WorkflowAlgorithms/src/RefReduction.cpp
index 4ece40c1ee5a6b08b584bceb6cc4eb34b8aee91b..c65be0ce528d4931c1d315a5a70e4ce20c321a22 100644
--- a/Framework/WorkflowAlgorithms/src/RefReduction.cpp
+++ b/Framework/WorkflowAlgorithms/src/RefReduction.cpp
@@ -629,6 +629,8 @@ double RefReduction::calculateAngleREFM(MatrixWorkspace_sptr workspace) {
Mantid::Kernel::Property *prop = workspace->run().getProperty("SampleDetDis");
Mantid::Kernel::TimeSeriesProperty<double> *dp =
dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
+ if (!dp)
+ throw std::runtime_error("SampleDetDis was not a TimeSeriesProperty");
const double det_distance = dp->getStatistics().mean / 1000.0;
double direct_beam_pix = getProperty("DirectPixel");
diff --git a/MantidPlot/pymantidplot/__init__.py b/MantidPlot/pymantidplot/__init__.py
index f77ce7c983d7da2f2fb6446947c212e40fcbedd5..3ea6a0189f54e0505309f7f71b712aba68fe14c9 100644
--- a/MantidPlot/pymantidplot/__init__.py
+++ b/MantidPlot/pymantidplot/__init__.py
@@ -300,7 +300,9 @@ def plotMD(source, plot_axis=-2, normalization=DEFAULT_MD_NORMALIZATION, error_b
Args:
source: Workspace(s) to plot
plot_axis: Index of the plot axis (defaults to auto-select)
- normalization: Type of normalization required (defaults to volume)
+ normalization: Type of normalization required (defaults to volume, options available:
+ MDNormalization.NoNormalization, MDNormalization.NumEventsNormalization, and
+ MDNormalization.VolumeNormalization).
error_bars: Flag for error bar plotting.
window: window used for plotting. If None a new one will be created
clearWindow: if is True, the window specified will be cleared before adding new curve
diff --git a/MantidPlot/src/ApplicationWindow.cpp b/MantidPlot/src/ApplicationWindow.cpp
index d9455438c81ff03c2f0516cc79f00b0934b5c201..3fa69dd633f1932060d53fc279973fe2ed4731c0 100644
--- a/MantidPlot/src/ApplicationWindow.cpp
+++ b/MantidPlot/src/ApplicationWindow.cpp
@@ -10153,6 +10153,7 @@ void ApplicationWindow::showGraphContextMenu() {
QMenu axes(this);
QMenu colour(this);
QMenu normalization(this);
+ QMenu normMD(this);
QMenu exports(this);
QMenu copy(this);
QMenu prints(this);
@@ -10218,6 +10219,27 @@ void ApplicationWindow::showGraphContextMenu() {
noNorm->setChecked(!ag->isDistribution());
binNorm->setChecked(ag->isDistribution());
cm.insertItem(tr("&Normalization"), &normalization);
+ } else if (ag->normalizableMD()) {
+ QAction *noNormMD = new QAction(tr("N&one"), &normMD);
+ noNormMD->setCheckable(true);
+ connect(noNormMD, SIGNAL(activated()), ag, SLOT(noNormalizationMD()));
+ normMD.addAction(noNormMD);
+
+ QAction *volNormMD = new QAction(tr("&Volume"), &normMD);
+ volNormMD->setCheckable(true);
+ connect(volNormMD, SIGNAL(activated()), ag, SLOT(volumeNormalizationMD()));
+ normMD.addAction(volNormMD);
+
+ QAction *eventsNormMD = new QAction(tr("&Events"), &normMD);
+ eventsNormMD->setCheckable(true);
+ connect(eventsNormMD, SIGNAL(activated()), ag, SLOT(numEventsNormalizationMD()));
+ normMD.addAction(eventsNormMD);
+
+ int normalization = ag->normalizationMD();
+ noNormMD->setChecked(0 == normalization);
+ volNormMD->setChecked(1 == normalization);
+ eventsNormMD->setChecked(2 == normalization);
+ cm.insertItem("MD &Normalization", &normMD);
}
QMenu plotType(this);
diff --git a/MantidPlot/src/ConfigDialog.cpp b/MantidPlot/src/ConfigDialog.cpp
index 6344d67d31cb6107058a72196d4b9b7feec1ac5a..87e74e4ea83cab6eb72537345019aeadb92dc4f3 100644
--- a/MantidPlot/src/ConfigDialog.cpp
+++ b/MantidPlot/src/ConfigDialog.cpp
@@ -2341,8 +2341,11 @@ void ConfigDialog::apply()
QList<MdiSubWindow*> windows = app->windowsList();
foreach(MdiSubWindow *w, windows){
if (w->isA("MultiLayer")){
- (dynamic_cast<MultiLayer*>(w))->setScaleLayersOnPrint(boxScaleLayersOnPrint->isChecked());
- (dynamic_cast<MultiLayer*>(w))->printCropmarks(boxPrintCropmarks->isChecked());
+ MultiLayer* multiLayer = dynamic_cast<MultiLayer*>(w);
+ if (multiLayer) {
+ multiLayer->setScaleLayersOnPrint(boxScaleLayersOnPrint->isChecked());
+ multiLayer->printCropmarks(boxPrintCropmarks->isChecked());
+ }
}
}
// general page: application tab
diff --git a/MantidPlot/src/ContourLinesEditor.cpp b/MantidPlot/src/ContourLinesEditor.cpp
index 19ff48b3bf2c9a39d2da9d592d99f953a1315e9b..144b2c7f245cd9c0bbb736cbee787ba77a733413 100644
--- a/MantidPlot/src/ContourLinesEditor.cpp
+++ b/MantidPlot/src/ContourLinesEditor.cpp
@@ -108,10 +108,14 @@ void ContourLinesEditor::updateContourLevels()
int rows = table->rowCount();
QwtValueList levels;
- for (int i = 0; i < rows; i++)
- levels << dynamic_cast<DoubleSpinBox*>(table->cellWidget(i, 0))->value();
+ for (int i = 0; i < rows; i++) {
+ DoubleSpinBox *spinBox =
+ dynamic_cast<DoubleSpinBox *>(table->cellWidget(i, 0));
+ if (spinBox)
+ levels << spinBox->value();
+ }
- d_spectrogram->setContourLevels(levels);
+ d_spectrogram->setContourLevels(levels);
}
void ContourLinesEditor::updateContourPens()
diff --git a/MantidPlot/src/CustomActionDialog.cpp b/MantidPlot/src/CustomActionDialog.cpp
index 0ffe792247682d974fbf3c6af8338c200fa32c61..8b779deb8ec2a2fb4978b0b5a1439b5d8ba7b504 100644
--- a/MantidPlot/src/CustomActionDialog.cpp
+++ b/MantidPlot/src/CustomActionDialog.cpp
@@ -514,7 +514,10 @@ void CustomActionDialog::chooseFolder()
QAction * CustomActionDialog::actionAt(int row)
{
ApplicationWindow *app = dynamic_cast<ApplicationWindow *>(parent());
- QList<QAction *>actions = app->customActionsList();
+ if (!app)
+ throw std::runtime_error(
+ "The parent of this dialog was not the Application Window");
+ QList<QAction *>actions = app->customActionsList();
if (actions.isEmpty() || row < 0 || row >= actions.count())
return 0;
diff --git a/MantidPlot/src/Graph.cpp b/MantidPlot/src/Graph.cpp
index db3b3e6fcd290c43819c2df94f5f38d021aee8a4..b90d59c0c2ba39d003eb0589957f4663b3ab805e 100644
--- a/MantidPlot/src/Graph.cpp
+++ b/MantidPlot/src/Graph.cpp
@@ -60,6 +60,7 @@
#include "MantidAPI/AnalysisDataService.h"
#include "Mantid/MantidMatrixCurve.h"
+#include "Mantid/MantidMDCurve.h"
#include "MantidQtAPI/PlotAxis.h"
#include "MantidQtAPI/QwtRasterDataMD.h"
#include "MantidQtAPI/QwtWorkspaceSpectrumData.h"
@@ -209,6 +210,9 @@ Graph::Graph(int x, int y, int width, int height, QWidget* parent, Qt::WFlags f)
m_isDistribution = false;
m_normalizable = false;
+
+ m_normalizableMD = false;
+ m_normalizationMD = 0;
}
void Graph::notifyChanges()
@@ -1436,7 +1440,8 @@ void Graph::setAxisScale(int axis, double start, double end, int type, double st
QwtScaleWidget *rightAxis = d_plot->axisWidget(QwtPlot::yRight);
if(rightAxis)
{
- if (type == ScaleTransformation::Log10 && (start <= 0 || start == DBL_MAX))
+ //if (type == ScaleTransformation::Log10 && (start <= 0 || start == DBL_MAX))
+ if (type == GraphOptions::Log10 && (start <= 0 || start == DBL_MAX))
{
start = sp->getMinPositiveValue();
}
@@ -3411,12 +3416,15 @@ QString Graph::yAxisTitleFromFirstCurve()
using namespace Mantid::API;
QString wsName = firstCurve->workspaceName();
auto ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsName.toStdString());
- return MantidQt::API::PlotAxis(m_isDistribution, *ws).title();
- }
- else
- {
- return axisTitle(0);
+ if (ws)
+ return MantidQt::API::PlotAxis(m_isDistribution, *ws).title();
+ } else if (auto *firstCurve = dynamic_cast<MantidMDCurve*>(curve(0))) {
+ MantidQwtIMDWorkspaceData* data = firstCurve->mantidData();
+ if (data)
+ return data->getYAxisLabel();
}
+
+ return axisTitle(0);
}
void Graph::contextMenuEvent(QContextMenuEvent *e)
@@ -5519,9 +5527,9 @@ void Graph::noNormalization()
if(!m_isDistribution) return; // Nothing to do
m_isDistribution = false;
- updateDataCurves();
- d_plot->updateAxes();
- setYAxisTitle(yAxisTitleFromFirstCurve());
+
+ updateCurvesAndAxes();
+
notifyChanges();
}
@@ -5533,11 +5541,65 @@ void Graph::binWidthNormalization()
if(m_isDistribution) return; // Nothing to do
m_isDistribution = true;
+
+ updateCurvesAndAxes();
+
+ notifyChanges();
+}
+
+/**
+ * Set 'None' normalization for MD plots
+ */
+void Graph::noNormalizationMD()
+{
+ if (!normalizableMD())
+ return;
+
+ setNormalizationMD(0);
+
+ updateCurvesAndAxes();
+
+ notifyChanges();
+}
+
+/**
+ * Set volume normalization for MD plots
+ */
+void Graph::volumeNormalizationMD()
+{
+ if (!normalizableMD())
+ return;
+
+ setNormalizationMD(1);
+
+ updateCurvesAndAxes();
+
+ notifyChanges();
+}
+
+/**
+ * Set number of events normalization for MD plots
+ */
+void Graph::numEventsNormalizationMD()
+{
+ if (!normalizableMD())
+ return;
+
+ setNormalizationMD(2);
+
+ updateCurvesAndAxes();
+
+ notifyChanges();
+}
+
+/**
+ * Convenience method to use when updating the normalization types
+ * (whether Matrix or MD data normalizatio).
+ */
+void Graph::updateCurvesAndAxes() {
updateDataCurves();
d_plot->updateAxes();
setYAxisTitle(yAxisTitleFromFirstCurve());
-
- notifyChanges();
}
void Graph::setWaterfallXOffset(int offset)
@@ -5653,6 +5715,15 @@ void Graph::updateDataCurves()
mc->invalidateBoundingRect();
mc->loadData();
}
+ else if (MantidMDCurve *mdc = dynamic_cast<MantidMDCurve*>(pc))
+ {
+ //mdc->setDrawAsDistribution(m_isDistribution);
+ // yes, using int in Graph and ApplicationWindow instead of the proper enum, just so that
+ // IMDWorkspace.h does not need to be included in more places in MantidPlot
+ mdc->mantidData()->setNormalization(static_cast<Mantid::API::MDNormalization>(m_normalizationMD));
+ mdc->invalidateBoundingRect();
+ }
+
}
QApplication::restoreOverrideCursor();
}
diff --git a/MantidPlot/src/Graph.h b/MantidPlot/src/Graph.h
index 9512139404943318a36ffc5dc9fa343d9fc82d7d..34ae08f03ca7eacf89224cf0b37a0bffcc81b19d 100644
--- a/MantidPlot/src/Graph.h
+++ b/MantidPlot/src/Graph.h
@@ -209,6 +209,20 @@ public slots:
bool isDistribution() const { return m_isDistribution; }
void setDistribution(const bool on) { m_isDistribution = on; }
+ void noNormalizationMD();
+ void numEventsNormalizationMD();
+ void volumeNormalizationMD();
+
+ /// normalizable in the MD sense, don't confuse with (bin width) normalizable(),
+ /// True if this is a plot MD
+ bool normalizableMD() const { return m_normalizableMD; }
+ void setNormalizableMD(const bool on) { m_normalizableMD = on; }
+
+ /// when using MD curves (true == normalizbleMD()), what type of normalization
+ int normalizationMD() const { return m_normalizationMD; }
+ void setNormalizationMD(const int normalization) { m_normalizationMD = normalization; }
+
+
//! Accessor method for #d_plot.
Plot* plotWidget(){return d_plot;};
@@ -813,6 +827,8 @@ private:
QString yAxisTitleFromFirstCurve();
+ void updateCurvesAndAxes();
+
Plot *d_plot;
QwtPlotZoomer *d_zoomer[2];
TitlePicker *titlePicker;
@@ -877,6 +893,12 @@ private:
bool m_isDistribution;
// True, if the graph can be plotted as distribution
bool m_normalizable;
+
+ // True if the graph is an MD plot and can be normalized (none, volume, events)
+ bool m_normalizableMD;
+ /// type of normalization for MD curves
+ int m_normalizationMD;
+
// x and y units of MantidCurves
boost::shared_ptr<Mantid::Kernel::Unit> m_xUnits;
boost::shared_ptr<Mantid::Kernel::Unit> m_yUnits;
diff --git a/MantidPlot/src/ImportASCIIDialog.cpp b/MantidPlot/src/ImportASCIIDialog.cpp
index 44c2ff0105b2c0636fe4a8fcebce9f9dbdcb0dcd..075910ef35fb89d929af75626a20ae8a6845b781 100644
--- a/MantidPlot/src/ImportASCIIDialog.cpp
+++ b/MantidPlot/src/ImportASCIIDialog.cpp
@@ -450,62 +450,67 @@ void ImportASCIIDialog::preview()
void ImportASCIIDialog::previewTable()
{
- if (!d_preview_table)
- return;
+ if (!d_preview_table)
+ return;
- if (!d_preview_table->isVisible())
- d_preview_table->show();
+ if (!d_preview_table->isVisible())
+ d_preview_table->show();
- if (d_current_path.trimmed().isEmpty()){
- d_preview_table->clear();
- d_preview_table->resetHeader();
- return;
- }
+ if (d_current_path.trimmed().isEmpty()){
+ d_preview_table->clear();
+ d_preview_table->resetHeader();
+ return;
+ }
- int importMode = d_import_mode->currentIndex();
- if (importMode == NewTables)
- importMode = Table::Overwrite;
- else
- importMode -= 2;
-
- d_preview_table->resetHeader();
- d_preview_table->importASCII(d_current_path, columnSeparator(), d_ignored_lines->value(),
- d_rename_columns->isChecked(), d_strip_spaces->isChecked(),
- d_simplify_spaces->isChecked(), d_import_comments->isChecked(),
- d_comment_string->text(), (Table::ImportMode)importMode,
- boxEndLine->currentIndex(), d_preview_lines_box->value());
-
- if (d_import_dec_separators->isChecked())
- d_preview_table->updateDecimalSeparators(decimalSeparators());
- if (!d_preview_table->isVisible())
- d_preview_table->show();
+ int importMode = d_import_mode->currentIndex();
+ if (importMode == NewTables) {
+ importMode = (ImportASCIIDialog::ImportMode)Table::Overwrite;
+ } else {
+ importMode -= 2;
+ }
+
+ d_preview_table->resetHeader();
+ d_preview_table->importASCII(d_current_path, columnSeparator(), d_ignored_lines->value(),
+ d_rename_columns->isChecked(), d_strip_spaces->isChecked(),
+ d_simplify_spaces->isChecked(), d_import_comments->isChecked(),
+ d_comment_string->text(), (Table::ImportMode)importMode,
+ boxEndLine->currentIndex(), d_preview_lines_box->value());
+
+ if (d_import_dec_separators->isChecked())
+ d_preview_table->updateDecimalSeparators(decimalSeparators());
+
+ if (!d_preview_table->isVisible())
+ d_preview_table->show();
}
-void ImportASCIIDialog::previewMatrix()
-{
- if (!d_preview_matrix)
- return;
+void ImportASCIIDialog::previewMatrix() {
+ if (!d_preview_matrix)
+ return;
- if (d_current_path.trimmed().isEmpty()){
- d_preview_matrix->clear();
- return;
- }
+ if (d_current_path.trimmed().isEmpty()) {
+ d_preview_matrix->clear();
+ return;
+ }
- int importMode = d_import_mode->currentIndex();
- if (importMode == NewMatrices)
- importMode = Matrix::Overwrite;
- else
- importMode -= 2;
+ int importMode = d_import_mode->currentIndex();
+ if (importMode == NewMatrices) {
+ importMode = (ImportASCIIDialog::ImportMode)Matrix::Overwrite;
+ } else {
+ // Overwrite-2 => NewColumns (in both Matrix::importMode and
+ // ImportASCIIDialog::importMode)
+ importMode -= 2;
+ }
- QLocale locale = d_preview_matrix->locale();
- if(d_import_dec_separators->isChecked())
- locale = decimalSeparators();
+ QLocale locale = d_preview_matrix->locale();
+ if (d_import_dec_separators->isChecked())
+ locale = decimalSeparators();
- d_preview_matrix->importASCII(d_current_path, columnSeparator(), d_ignored_lines->value(),
- d_strip_spaces->isChecked(), d_simplify_spaces->isChecked(),
- d_comment_string->text(), importMode, locale,
- boxEndLine->currentIndex(), d_preview_lines_box->value());
- d_preview_matrix->resizeColumnsToContents();
+ d_preview_matrix->importASCII(
+ d_current_path, columnSeparator(), d_ignored_lines->value(),
+ d_strip_spaces->isChecked(), d_simplify_spaces->isChecked(),
+ d_comment_string->text(), importMode, locale, boxEndLine->currentIndex(),
+ d_preview_lines_box->value());
+ d_preview_matrix->resizeColumnsToContents();
}
void ImportASCIIDialog::changePreviewFile(const QString& path)
@@ -542,8 +547,8 @@ void ImportASCIIDialog::setNewWindowsOnly(bool on)
if (on){
d_import_mode->clear();
d_import_mode->addItem(tr("New Table"));
- d_import_mode->addItem(tr("New Matrice"));
- d_import_mode->addItem(tr("New Workspace"));
+ d_import_mode->addItem(tr("New Matrix"));
+ d_import_mode->addItem(tr("New Workspace"));
}
d_preview_button->setChecked(false);
diff --git a/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp b/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
index d83662b41b3b486ee0e4da6bce7f7fb13c2a5f1c..77766f8eff2801fa872fa1d9c612ba5122370e61 100644
--- a/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
+++ b/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
@@ -581,8 +581,8 @@ void UnwrappedSurface::drawSimpleToImage(QImage* image,bool picking)const
if ( iw < 4 ) iw = 4;
if ( ih < 4 ) ih = 4;
- double w = (iw == 0)? dw : udet.width/2;
- double h = (ih == 0)? dh : udet.height/2;
+ double w = udet.width/2;
+ double h = udet.height/2;
if (!(m_viewRect.contains(udet.u-w, udet.v-h) || m_viewRect.contains(udet.u+w, udet.v+h))) continue;
diff --git a/MantidPlot/src/Mantid/MantidUI.cpp b/MantidPlot/src/Mantid/MantidUI.cpp
index d076bdf157480feeeb4f10b4ff922a8c1a7c90e4..f6ddf9efda70d0a46db18176e62f79426ebffe43 100644
--- a/MantidPlot/src/Mantid/MantidUI.cpp
+++ b/MantidPlot/src/Mantid/MantidUI.cpp
@@ -617,6 +617,9 @@ MultiLayer* MantidUI::plotMDList(const QStringList& wsNames, const int plotAxis,
data->setPlotAxisChoice(plotAxis);
data->setNormalization(normalization);
+ g->setNormalizableMD(true);
+ g->setNormalizationMD(normalization);
+
// Using information from the first graph
if( i == 0 && isGraphNew )
g->setAutoScale();
diff --git a/MantidPlot/src/ScaleDetails.cpp b/MantidPlot/src/ScaleDetails.cpp
index 71190376094ff0093f8972b303d2eba67214edcd..e6ef88b10316eb1eaf83abc126038653d8a710d5 100644
--- a/MantidPlot/src/ScaleDetails.cpp
+++ b/MantidPlot/src/ScaleDetails.cpp
@@ -272,6 +272,10 @@ void ScaleDetails::initWidgets()
if (type == ScaleDraw::Date)
{
ScaleDraw *sclDraw = dynamic_cast<ScaleDraw *>(d_plot->axisScaleDraw(m_mappedaxis));
+ if (!sclDraw) {
+ throw std::runtime_error("Could not convert the axis Scale Draw object "
+ "to a ScaleDraw object");
+ }
QDateTime origin = sclDraw->dateTimeOrigin();
m_dspnStart->hide();
diff --git a/MantidPlot/src/importOPJ.cpp b/MantidPlot/src/importOPJ.cpp
index f5d393e96b4239a28a8c3f23f98e9eabfeca5a7d..458e67fe47debd7431cdd9268e58cb0edb4594b5 100644
--- a/MantidPlot/src/importOPJ.cpp
+++ b/MantidPlot/src/importOPJ.cpp
@@ -702,6 +702,8 @@ bool ImportOPJ::importGraphs(const OPJFile& opj)
break;
case 'F':
s=opj.functionIndex(data.right(data.length()-2).toStdString().c_str());
+ if (s<0)
+ break;
int type;
if(opj.functionType(s)==1)//Polar
{
diff --git a/MantidQt/CustomDialogs/inc/MantidQtCustomDialogs/GetNegMuMuonicXRDDialog.h b/MantidQt/CustomDialogs/inc/MantidQtCustomDialogs/GetNegMuMuonicXRDDialog.h
index 85fa109a4511bb3ef96de179827dc54d33baab32..4d375e8cdc124c9d04bf0274f849ee4f597b7a13 100644
--- a/MantidQt/CustomDialogs/inc/MantidQtCustomDialogs/GetNegMuMuonicXRDDialog.h
+++ b/MantidQt/CustomDialogs/inc/MantidQtCustomDialogs/GetNegMuMuonicXRDDialog.h
@@ -36,19 +36,20 @@ namespace CustomDialogs {
class GetNegMuMuonicXRDDialog : public API::AlgorithmDialog {
Q_OBJECT
- public:
+public:
/// Constructor
GetNegMuMuonicXRDDialog(QWidget *parent = 0);
- private:
+private:
/// Periodic Table widget used for selection of elements property
- PeriodicTableWidget *periodicTable;
+ PeriodicTableWidget *m_periodicTable;
/// QLineEdit used for input of y-position property
- QLineEdit *yPosition;
+ QLineEdit *m_yPosition;
/// QLineEdit used for input of GroupWorkspaceSpace
- QLineEdit *groupWorkspaceNameInput;
- //Check box for showing or hiding the Legend for PeriodicTableWidget
- QCheckBox *showLegendCheck;
+ QLineEdit *m_groupWorkspaceNameInput;
+ // Check box for showing or hiding the Legend for PeriodicTableWidget
+ QCheckBox *m_showLegendCheck;
+
/// Validate that the input is not empty before running algorithm
bool validateDialogInput(QString input);
/** Enables a the buttons corresponding to the elements
@@ -56,15 +57,15 @@ class GetNegMuMuonicXRDDialog : public API::AlgorithmDialog {
*/
void enableElementsForGetNegMuMuonicXRD();
- private slots:
+private slots:
/// When the "Run" button is clicked, the algorithm is executed with inputs
void runClicked();
void showLegend();
- protected:
+protected:
// create the initial layout
void initLayout();
- signals:
+signals:
/// signal emitted when validateDialogInput passes
void validInput();
};
diff --git a/MantidQt/CustomDialogs/src/GetNegMuMuonicXRDDialog.cpp b/MantidQt/CustomDialogs/src/GetNegMuMuonicXRDDialog.cpp
index 963da0325e8764e67562bd8801154cbca51c2648..463fae15e31cc0b36834b70bb1dfbef1ecd0c5a8 100644
--- a/MantidQt/CustomDialogs/src/GetNegMuMuonicXRDDialog.cpp
+++ b/MantidQt/CustomDialogs/src/GetNegMuMuonicXRDDialog.cpp
@@ -7,7 +7,6 @@
#include <QValidator>
#include <QFormLayout>
-
namespace MantidQt {
namespace CustomDialogs {
DECLARE_DIALOG(GetNegMuMuonicXRDDialog)
@@ -18,7 +17,8 @@ DECLARE_DIALOG(GetNegMuMuonicXRDDialog)
*/
GetNegMuMuonicXRDDialog::GetNegMuMuonicXRDDialog(QWidget *parent)
- : API::AlgorithmDialog(parent) {}
+ : API::AlgorithmDialog(parent), m_periodicTable(NULL), m_yPosition(NULL),
+ m_groupWorkspaceNameInput(NULL), m_showLegendCheck(NULL) {}
/// Initialise the layout
void GetNegMuMuonicXRDDialog::initLayout() {
@@ -26,18 +26,18 @@ void GetNegMuMuonicXRDDialog::initLayout() {
this->setMaximumHeight(400);
this->setMaximumWidth(675);
// assign periodicTable member to a new periodicTable
- periodicTable = new PeriodicTableWidget();
+ m_periodicTable = new PeriodicTableWidget();
- // assign yPosition member to a new QLineEdit
- yPosition = new QLineEdit();
- //assign GroupWorkspaceName member to a new QLineEdit
- groupWorkspaceNameInput = new QLineEdit();
+ // assign m_yPosition member to a new QLineEdit
+ m_yPosition = new QLineEdit();
+ // assign GroupWorkspaceName member to a new QLineEdit
+ m_groupWorkspaceNameInput = new QLineEdit();
auto *groupWsInputLabel = new QLabel("OutputWorkspace");
- groupWorkspaceNameInput->setMaximumWidth(250);
+ m_groupWorkspaceNameInput->setMaximumWidth(250);
// Disable all buttons on the periodicTable
// as we only have a select few that need to be
// enabled.
- periodicTable->disableAllElementButtons();
+ m_periodicTable->disableAllElementButtons();
/*Elements Enabled Correspond to those for which we
* have data for in the dictionary found in
@@ -51,44 +51,44 @@ void GetNegMuMuonicXRDDialog::initLayout() {
// run button for executing the algorithm
auto *runButton = new QPushButton("Run");
- // label for the QLineEdit for yPosition property
- auto *yPositionLabel = new QLabel("Y Position");
+ // label for the QLineEdit for m_yPosition property
+ auto *m_yPositionLabel = new QLabel("Y Position");
- /*validator allows only numeric input for yPosition
+ /*validator allows only numeric input for m_yPosition
*this helps with validating the input.
*Does not detect empty string as invalid input.
*/
- auto yPositionNumericValidator = new QDoubleValidator();
+ auto m_yPositionNumericValidator = new QDoubleValidator();
// YPosition LineEdit Attributes
- yPosition->setMaximumWidth(250);
- yPosition->setPlaceholderText("-0.01");
- yPosition->setValidator(yPositionNumericValidator);
+ m_yPosition->setMaximumWidth(250);
+ m_yPosition->setPlaceholderText("-0.01");
+ m_yPosition->setValidator(m_yPositionNumericValidator);
// Run Button Attributes and signal/slot assignment
runButton->setMaximumWidth(100);
connect(runButton, SIGNAL(clicked()), this, SLOT(runClicked()));
connect(this, SIGNAL(validInput()), this, SLOT(accept()));
- //Show Legend button attributes and signal/slot asssignment
- showLegendCheck = new QCheckBox("Show Legend");
- connect(showLegendCheck, SIGNAL(clicked()), this, SLOT(showLegend()));
+ // Show Legend button attributes and signal/slot asssignment
+ m_showLegendCheck = new QCheckBox("Show Legend");
+ connect(m_showLegendCheck, SIGNAL(clicked()), this, SLOT(showLegend()));
// Adding Widgets to Layout
- main_layout->addWidget(periodicTable);
- main_layout->addWidget(showLegendCheck);
- main_layout->addWidget(yPositionLabel);
- main_layout->addWidget(yPosition);
+ main_layout->addWidget(m_periodicTable);
+ main_layout->addWidget(m_showLegendCheck);
+ main_layout->addWidget(m_yPositionLabel);
+ main_layout->addWidget(m_yPosition);
main_layout->addWidget(groupWsInputLabel);
- main_layout->addWidget(groupWorkspaceNameInput);
+ main_layout->addWidget(m_groupWorkspaceNameInput);
main_layout->addWidget(runButton);
}
/**
*
*/
-void GetNegMuMuonicXRDDialog::showLegend(){
- bool checked = showLegendCheck->isChecked();
- periodicTable->showGroupLegend(checked);
+void GetNegMuMuonicXRDDialog::showLegend() {
+ bool checked = m_showLegendCheck->isChecked();
+ m_periodicTable->showGroupLegend(checked);
}
/**
@@ -102,13 +102,13 @@ void GetNegMuMuonicXRDDialog::enableElementsForGetNegMuMuonicXRD() {
* for the algorithm, and the button for that element can be enabled
* the same as the elements are below.
*/
- periodicTable->enableButtonByName("Au");
- periodicTable->enableButtonByName("Ag");
- periodicTable->enableButtonByName("Cu");
- periodicTable->enableButtonByName("Zn");
- periodicTable->enableButtonByName("Pb");
- periodicTable->enableButtonByName("As");
- periodicTable->enableButtonByName("Sn");
+ m_periodicTable->enableButtonByName("Au");
+ m_periodicTable->enableButtonByName("Ag");
+ m_periodicTable->enableButtonByName("Cu");
+ m_periodicTable->enableButtonByName("Zn");
+ m_periodicTable->enableButtonByName("Pb");
+ m_periodicTable->enableButtonByName("As");
+ m_periodicTable->enableButtonByName("Sn");
}
/**
@@ -128,7 +128,7 @@ bool GetNegMuMuonicXRDDialog::validateDialogInput(QString input) {
*/
void GetNegMuMuonicXRDDialog::runClicked() {
// getting a list of strings of elements selected from periodicTableWidget
- QString elementsSelectedStr = periodicTable->getAllCheckedElementsStr();
+ QString elementsSelectedStr = m_periodicTable->getAllCheckedElementsStr();
// if no elements are selected from the PeriodicTableWidget, a pop-up appears
// to the user.
if (!validateDialogInput(elementsSelectedStr)) {
@@ -141,15 +141,16 @@ void GetNegMuMuonicXRDDialog::runClicked() {
// signal.
if (validateDialogInput(elementsSelectedStr)) {
storePropertyValue("Elements", elementsSelectedStr);
- if (validateDialogInput(yPosition->text())) {
- storePropertyValue("YAxisPosition", yPosition->text());
+ if (validateDialogInput(m_yPosition->text())) {
+ storePropertyValue("YAxisPosition", m_yPosition->text());
} else {
- // used as default value for yPosition property if the user does not input
+ // used as default value for m_yPosition property if the user does not
+ // input
// one.
- storePropertyValue("YAxisPosition", yPosition->placeholderText());
+ storePropertyValue("YAxisPosition", m_yPosition->placeholderText());
}
- if (validateDialogInput(groupWorkspaceNameInput->text())){
- storePropertyValue("OutputWorkspace", groupWorkspaceNameInput->text());
+ if (validateDialogInput(m_groupWorkspaceNameInput->text())) {
+ storePropertyValue("OutputWorkspace", m_groupWorkspaceNameInput->text());
}
emit validInput();
}
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/QtReflMainView.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/QtReflMainView.h
index 5423d7311d73d879001d488f2bdcd02e9b6ef5dc..1306417ed5c84ffd9139390a259a08e08a250d6d 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/QtReflMainView.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/QtReflMainView.h
@@ -62,6 +62,7 @@ namespace MantidQt
virtual void giveUserWarning(std::string prompt, std::string title);
virtual void giveUserCritical(std::string prompt, std::string title);
virtual void showAlgorithmDialog(const std::string& algorithm);
+ virtual std::string requestNotebookPath();
//Plotting
virtual void plotWorkspaces(const std::set<std::string>& workspaces);
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ReflMainView.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ReflMainView.h
index ba7cfe632c3682ec2472b1778fbfee8efb29998f..bfcca663b78dc95a9e99974146d2ec1d066007fb 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ReflMainView.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/ReflMainView.h
@@ -57,6 +57,7 @@ namespace MantidQt
virtual void giveUserWarning(std::string prompt, std::string title) = 0;
virtual void giveUserCritical(std::string prompt, std::string title) = 0;
virtual void showAlgorithmDialog(const std::string& algorithm) = 0;
+ virtual std::string requestNotebookPath() = 0;
//Plotting
virtual void plotWorkspaces(const std::set<std::string>& workspaces) = 0;
diff --git a/MantidQt/CustomInterfaces/src/Indirect/ApplyPaalmanPings.cpp b/MantidQt/CustomInterfaces/src/Indirect/ApplyPaalmanPings.cpp
index 42270faab779a63de3226cd5b3b3cc4ebd2c2de6..e4e9d4484706608f74596258ca4846cf1bc906b7 100644
--- a/MantidQt/CustomInterfaces/src/Indirect/ApplyPaalmanPings.cpp
+++ b/MantidQt/CustomInterfaces/src/Indirect/ApplyPaalmanPings.cpp
@@ -145,6 +145,7 @@ void ApplyPaalmanPings::run() {
switch (result) {
case QMessageBox::YesToAll:
interpolateAll = true;
+ //fall through
case QMessageBox::Yes:
addInterpolationStep(factorWs, absCorProps["SampleWorkspace"]);
break;
@@ -175,9 +176,18 @@ void ApplyPaalmanPings::run() {
correctionType = "cyl";
break;
}
- const QString outputWsName =
+ QString outputWsName =
sampleWsName.left(nameCutIndex) + +"_" + correctionType + "_Corrected";
+ if (useCan) {
+ auto containerWsName = m_uiForm.dsContainer->getCurrentDataName();
+ int cutIndex = containerWsName.indexOf("_");
+ if (cutIndex == -1) {
+ cutIndex = containerWsName.length();
+ }
+ outputWsName += "_Subtract_" + containerWsName.left(cutIndex);
+ }
+
applyCorrAlg->setProperty("OutputWorkspace", outputWsName.toStdString());
// Add corrections algorithm to queue
diff --git a/MantidQt/CustomInterfaces/src/Indirect/CalculatePaalmanPings.cpp b/MantidQt/CustomInterfaces/src/Indirect/CalculatePaalmanPings.cpp
index 81277fad6d9919ec6d2057026a52be6716bff9c2..49584757883539d7ef1a4332893875067f9017e1 100644
--- a/MantidQt/CustomInterfaces/src/Indirect/CalculatePaalmanPings.cpp
+++ b/MantidQt/CustomInterfaces/src/Indirect/CalculatePaalmanPings.cpp
@@ -122,8 +122,17 @@ void CalculatePaalmanPings::run() {
break;
}
- const QString outputWsName =
+ QString outputWsName =
sampleWsName.left(nameCutIndex) + "_" + correctionType + "_abs";
+ if (useCan) {
+ auto containerWsName = m_uiForm.dsContainer->getCurrentDataName();
+ int cutIndex = containerWsName.indexOf("_");
+ if (cutIndex == -1) {
+ cutIndex = containerWsName.length();
+ }
+ outputWsName += "_Subtract_" + containerWsName.left(cutIndex);
+ }
+
absCorAlgo->setProperty("OutputWorkspace", outputWsName.toStdString());
// Add corrections algorithm to queue
diff --git a/MantidQt/CustomInterfaces/src/Indirect/ISISEnergyTransfer.cpp b/MantidQt/CustomInterfaces/src/Indirect/ISISEnergyTransfer.cpp
index ae32ddc36c2e30d07b9ff6dd2d5de8769a48a24a..9839ec88af9df01154c45c2d067bd7529c35b23d 100644
--- a/MantidQt/CustomInterfaces/src/Indirect/ISISEnergyTransfer.cpp
+++ b/MantidQt/CustomInterfaces/src/Indirect/ISISEnergyTransfer.cpp
@@ -447,6 +447,15 @@ void ISISEnergyTransfer::plotRaw() {
return;
}
+ if (m_uiForm.ckBackgroundRemoval->isChecked() == true) {
+ int startBack = m_uiForm.spBackgroundStart->value();
+ int endBack = m_uiForm.spBackgroundEnd->value();
+ if (startBack > endBack) {
+ emit showMessageBox("Background Start must be less than Background End");
+ return;
+ }
+ }
+
QString rawFile = m_uiForm.dsRunFiles->getFirstFilename();
auto pos = rawFile.lastIndexOf(".");
auto extension = rawFile.right(rawFile.length() - pos);
diff --git a/MantidQt/CustomInterfaces/src/Muon/ALCInterface.cpp b/MantidQt/CustomInterfaces/src/Muon/ALCInterface.cpp
index a52e8a9ea46656ce5503523ea3af0e8a01bf2846..f70fe204e98fc0c6d7dd30b80c2caff417715d33 100644
--- a/MantidQt/CustomInterfaces/src/Muon/ALCInterface.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/ALCInterface.cpp
@@ -31,6 +31,7 @@ namespace CustomInterfaces
ALCInterface::ALCInterface(QWidget* parent)
: UserSubWindow(parent), m_ui(),
+ m_baselineModellingView(NULL), m_peakFittingView(NULL),
m_dataLoading(NULL), m_baselineModelling(NULL), m_peakFitting(NULL),
m_baselineModellingModel(new ALCBaselineModellingModel()),
m_peakFittingModel(new ALCPeakFittingModel())
diff --git a/MantidQt/CustomInterfaces/src/QtReflMainView.cpp b/MantidQt/CustomInterfaces/src/QtReflMainView.cpp
index a2c94562df9b0f759051ea6d4a835b49f4ab67b0..6f599771e4f4ffc5b63452900b01485518c834b5 100644
--- a/MantidQt/CustomInterfaces/src/QtReflMainView.cpp
+++ b/MantidQt/CustomInterfaces/src/QtReflMainView.cpp
@@ -434,6 +434,17 @@ namespace MantidQt
runPythonCode(QString::fromStdString(pythonSrc.str()));
}
+ /**
+ Show the user file dialog to choose save location of notebook
+ */
+ std::string QtReflMainView::requestNotebookPath()
+ {
+ QString qfilename = QFileDialog::getSaveFileName(0, "Save notebook file", QDir::currentPath(),
+ "IPython Notebook files (*.ipynb);;All files (*.*)",
+ new QString("IPython Notebook files (*.ipynb)"));
+ return qfilename.toStdString();
+ }
+
/**
Plot a workspace
*/
diff --git a/MantidQt/CustomInterfaces/src/ReflMainViewPresenter.cpp b/MantidQt/CustomInterfaces/src/ReflMainViewPresenter.cpp
index 8b813d6392f361ddceaef1748a5cf1a5cec4e2eb..2aedd280cf80054880642b336291837ffc642aa8 100644
--- a/MantidQt/CustomInterfaces/src/ReflMainViewPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/ReflMainViewPresenter.cpp
@@ -295,16 +295,15 @@ namespace MantidQt
*/
void ReflMainViewPresenter::saveNotebook(std::map<int,std::set<int>> groups, std::set<int> rows)
{
- std::unique_ptr<ReflGenerateNotebook> notebook(new ReflGenerateNotebook(
- m_wsName, m_model, m_view->getProcessInstrument(), COL_RUNS, COL_TRANSMISSION, COL_OPTIONS, COL_ANGLE,
- COL_QMIN, COL_QMAX, COL_DQQ, COL_SCALE, COL_GROUP));
- QString qfilename = QFileDialog::getSaveFileName(0, "Save notebook file", QDir::currentPath(),
- "IPython Notebook files (*.ipynb);;All files (*.*)",
- new QString("IPython Notebook files (*.ipynb)"));
- std::string filename = qfilename.toStdString();
+
+ std::string filename = m_view->requestNotebookPath();
if (filename == "") {
return;
}
+
+ std::unique_ptr<ReflGenerateNotebook> notebook(new ReflGenerateNotebook(
+ m_wsName, m_model, m_view->getProcessInstrument(), COL_RUNS, COL_TRANSMISSION, COL_OPTIONS, COL_ANGLE,
+ COL_QMIN, COL_QMAX, COL_DQQ, COL_SCALE, COL_GROUP));
std::string generatedNotebook = notebook->generateNotebook(groups, rows);
std::ofstream file(filename.c_str(), std::ofstream::trunc);
diff --git a/MantidQt/CustomInterfaces/src/Tomography/ImageStackPreParams.cpp b/MantidQt/CustomInterfaces/src/Tomography/ImageStackPreParams.cpp
index 60d8a1e2bd0dbc8a26e01cb9dcae0898e0a27395..b343d7c20876fa95bda014ff49ed75407ab2daaf 100644
--- a/MantidQt/CustomInterfaces/src/Tomography/ImageStackPreParams.cpp
+++ b/MantidQt/CustomInterfaces/src/Tomography/ImageStackPreParams.cpp
@@ -5,9 +5,7 @@ using namespace MantidQt::CustomInterfaces;
namespace MantidQt {
namespace CustomInterfaces {
-ImageStackPreParams::ImageStackPreParams()
-{
+ImageStackPreParams::ImageStackPreParams() : medianFilter(false) {}
-}
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/MantidQt/CustomInterfaces/src/Tomography/TomographyIfaceModel.cpp b/MantidQt/CustomInterfaces/src/Tomography/TomographyIfaceModel.cpp
index 15c9f4550e6d57228cd464e6c3cb350e47c23449..5aaaaccde66a10647182a685e42fefe0ca5570aa 100644
--- a/MantidQt/CustomInterfaces/src/Tomography/TomographyIfaceModel.cpp
+++ b/MantidQt/CustomInterfaces/src/Tomography/TomographyIfaceModel.cpp
@@ -582,7 +582,6 @@ TomographyIfaceModel::loadFITSImage(const std::string &path) {
"Failed to load image. Could not load this file as a "
"FITS image: " +
std::string(e.what()));
- return WorkspaceGroup_sptr();
}
if (!alg->isExecuted()) {
throw std::runtime_error(
diff --git a/MantidQt/CustomInterfaces/test/ReflMainViewMockObjects.h b/MantidQt/CustomInterfaces/test/ReflMainViewMockObjects.h
index 2d7f91d24a4c10c40bf3b3b3eb28cd15585c7b90..026b49d21b3e9966e32a84f26c1b3df3b72ea023 100644
--- a/MantidQt/CustomInterfaces/test/ReflMainViewMockObjects.h
+++ b/MantidQt/CustomInterfaces/test/ReflMainViewMockObjects.h
@@ -33,6 +33,7 @@ public:
MOCK_METHOD2(giveUserCritical, void(std::string, std::string));
MOCK_METHOD2(giveUserInfo, void(std::string, std::string));
MOCK_METHOD2(giveUserWarning, void(std::string, std::string));
+ MOCK_METHOD0(requestNotebookPath, std::string());
MOCK_METHOD1(showAlgorithmDialog, void(const std::string&));
MOCK_METHOD1(plotWorkspaces, void(const std::set<std::string>&));
@@ -46,6 +47,7 @@ public:
MOCK_CONST_METHOD0(getClipboard, std::string());
MOCK_CONST_METHOD0(getSearchString, std::string());
MOCK_CONST_METHOD0(getSearchInstrument, std::string());
+ MOCK_METHOD0(getEnableNotebook, bool());
//Calls we don't care about
virtual void showTable(QReflTableModel_sptr) {};
@@ -53,7 +55,6 @@ public:
virtual void setOptionsHintStrategy(MantidQt::MantidWidgets::HintStrategy*) {};
virtual void setProgressRange(int,int) {};
virtual void setProgress(int) {};
- virtual bool getEnableNotebook() {return false;};
virtual void setTableList(const std::set<std::string>&) {};
virtual void setInstrumentList(const std::vector<std::string>&, const std::string&) {};
virtual std::string getProcessInstrument() const {return "FAKE";}
diff --git a/MantidQt/CustomInterfaces/test/ReflMainViewPresenterTest.h b/MantidQt/CustomInterfaces/test/ReflMainViewPresenterTest.h
index 4c53fb56bf68c8693e9933f650f7aa5440c18545..36d043f921e47425dc4ed88c241c0207f61cee26 100644
--- a/MantidQt/CustomInterfaces/test/ReflMainViewPresenterTest.h
+++ b/MantidQt/CustomInterfaces/test/ReflMainViewPresenterTest.h
@@ -13,6 +13,7 @@
#include "MantidQtCustomInterfaces/ReflMainViewPresenter.h"
#include "ReflMainViewMockObjects.h"
+#include "../inc/MantidQtCustomInterfaces/IReflPresenter.h"
using namespace MantidQt::CustomInterfaces;
using namespace Mantid::API;
@@ -136,6 +137,8 @@ public:
TS_ASSERT(AnalysisDataService::Instance().doesExist("TestWorkspace"));
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testSaveExisting() {
@@ -152,6 +155,8 @@ public:
presenter.notify(IReflPresenter::SaveFlag);
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testSaveAs() {
@@ -180,6 +185,8 @@ public:
AnalysisDataService::Instance().remove("TestWorkspace");
AnalysisDataService::Instance().remove("Workspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testAppendRow() {
@@ -220,6 +227,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testAppendRowSpecify() {
@@ -263,6 +272,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testAppendRowSpecifyPlural() {
@@ -305,6 +316,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPrependRow() {
@@ -344,6 +357,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPrependRowSpecify() {
@@ -386,6 +401,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPrependRowSpecifyPlural() {
@@ -429,6 +446,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testDeleteRowNone() {
@@ -460,6 +479,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testDeleteRowSingle() {
@@ -495,6 +516,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testDeleteRowPlural() {
@@ -533,6 +556,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testProcess() {
@@ -559,6 +584,11 @@ public:
EXPECT_CALL(mockView, getSelectedRows())
.Times(1)
.WillRepeatedly(Return(rowlist));
+ EXPECT_CALL(mockView, getEnableNotebook())
+ .Times(1)
+ .WillRepeatedly(Return(false));
+ EXPECT_CALL(mockView, requestNotebookPath())
+ .Times(0);
presenter.notify(IReflPresenter::ProcessFlag);
// Check output workspaces were created as expected
@@ -579,6 +609,52 @@ public:
AnalysisDataService::Instance().remove("IvsLam_12346");
AnalysisDataService::Instance().remove("TOF_12346");
AnalysisDataService::Instance().remove("IvsQ_12345_12346");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
+ }
+
+ void testProcessWithNotebook() {
+ MockView mockView;
+ ReflMainViewPresenter presenter(&mockView);
+
+ createPrefilledWorkspace("TestWorkspace");
+ EXPECT_CALL(mockView, getWorkspaceToOpen())
+ .Times(1)
+ .WillRepeatedly(Return("TestWorkspace"));
+ presenter.notify(IReflPresenter::OpenTableFlag);
+
+ std::set<int> rowlist;
+ rowlist.insert(0);
+ rowlist.insert(1);
+
+ createTOFWorkspace("TOF_12345", "12345");
+ createTOFWorkspace("TOF_12346", "12346");
+
+ // We should not receive any errors
+ EXPECT_CALL(mockView, giveUserCritical(_, _)).Times(0);
+
+ // The user hits the "process" button with the first two rows selected
+ EXPECT_CALL(mockView, getSelectedRows())
+ .Times(1)
+ .WillRepeatedly(Return(rowlist));
+ EXPECT_CALL(mockView, getEnableNotebook())
+ .Times(1)
+ .WillRepeatedly(Return(true));
+ EXPECT_CALL(mockView, requestNotebookPath())
+ .Times(1);
+ presenter.notify(IReflPresenter::ProcessFlag);
+
+ // Tidy up
+ AnalysisDataService::Instance().remove("TestWorkspace");
+ AnalysisDataService::Instance().remove("IvsQ_12345");
+ AnalysisDataService::Instance().remove("IvsLam_12345");
+ AnalysisDataService::Instance().remove("TOF_12345");
+ AnalysisDataService::Instance().remove("IvsQ_12346");
+ AnalysisDataService::Instance().remove("IvsLam_12346");
+ AnalysisDataService::Instance().remove("TOF_12346");
+ AnalysisDataService::Instance().remove("IvsQ_12345_12346");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
/*
@@ -641,6 +717,8 @@ public:
AnalysisDataService::Instance().remove("IvsQ_12346");
AnalysisDataService::Instance().remove("IvsLam_12346");
AnalysisDataService::Instance().remove("IvsQ_dataA_12346");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testBadWorkspaceType() {
@@ -671,6 +749,8 @@ public:
presenter.notify(IReflPresenter::OpenTableFlag);
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testBadWorkspaceLength() {
@@ -705,6 +785,8 @@ public:
presenter.notify(IReflPresenter::OpenTableFlag);
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPromptSaveAfterAppendRow() {
@@ -732,6 +814,8 @@ public:
// The user tries to create a new table again, and does not get bothered
EXPECT_CALL(mockView, askUserYesNo(_, _)).Times(0);
presenter.notify(IReflPresenter::NewTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPromptSaveAfterDeleteRow() {
@@ -771,6 +855,8 @@ public:
// The user tries to create a new table again, and does not get bothered
EXPECT_CALL(mockView, askUserYesNo(_, _)).Times(0);
presenter.notify(IReflPresenter::NewTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPromptSaveAndDiscard() {
@@ -791,6 +877,8 @@ public:
// These next two times they don't get prompted - they have a new table
presenter.notify(IReflPresenter::NewTableFlag);
presenter.notify(IReflPresenter::NewTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPromptSaveOnOpen() {
@@ -823,6 +911,8 @@ public:
.WillRepeatedly(Return("TestWorkspace"));
EXPECT_CALL(mockView, askUserYesNo(_, _)).Times(0);
presenter.notify(IReflPresenter::OpenTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testExpandSelection() {
@@ -984,6 +1074,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testClearRows() {
@@ -1043,6 +1135,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testCopyRow() {
@@ -1066,6 +1160,8 @@ public:
.Times(1)
.WillRepeatedly(Return(rowlist));
presenter.notify(IReflPresenter::CopySelectedFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testCopyRows() {
@@ -1095,6 +1191,8 @@ public:
.Times(1)
.WillRepeatedly(Return(rowlist));
presenter.notify(IReflPresenter::CopySelectedFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testCutRow() {
@@ -1129,6 +1227,8 @@ public:
TS_ASSERT_EQUALS(ws->String(0, RunCol), "12345");
TS_ASSERT_EQUALS(ws->String(1, RunCol), "24681");
TS_ASSERT_EQUALS(ws->String(2, RunCol), "24682");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testCutRows() {
@@ -1165,6 +1265,8 @@ public:
TS_ASSERT_EQUALS(ws->rowCount(), 1);
// Check the only unselected row is left behind
TS_ASSERT_EQUALS(ws->String(0, RunCol), "24682");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPasteRow() {
@@ -1212,6 +1314,8 @@ public:
TS_ASSERT_EQUALS(ws->Double(1, ScaleCol), 5.0);
TS_ASSERT_EQUALS(ws->Int(1, GroupCol), 6);
TS_ASSERT_EQUALS(ws->String(1, OptionsCol), "abc");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPasteNewRow() {
@@ -1257,6 +1361,8 @@ public:
TS_ASSERT_EQUALS(ws->Double(4, ScaleCol), 5.0);
TS_ASSERT_EQUALS(ws->Int(4, GroupCol), 6);
TS_ASSERT_EQUALS(ws->String(4, OptionsCol), "abc");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPasteRows() {
@@ -1315,6 +1421,8 @@ public:
TS_ASSERT_EQUALS(ws->Double(2, ScaleCol), 3.0);
TS_ASSERT_EQUALS(ws->Int(2, GroupCol), 2);
TS_ASSERT_EQUALS(ws->String(2, OptionsCol), "def");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPasteNewRows() {
@@ -1371,6 +1479,8 @@ public:
TS_ASSERT_EQUALS(ws->Double(5, ScaleCol), 3.0);
TS_ASSERT_EQUALS(ws->Int(5, GroupCol), 2);
TS_ASSERT_EQUALS(ws->String(5, OptionsCol), "def");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testImportTable() {
@@ -1378,6 +1488,8 @@ public:
ReflMainViewPresenter presenter(&mockView);
EXPECT_CALL(mockView, showAlgorithmDialog("LoadReflTBL"));
presenter.notify(IReflPresenter::ImportTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testExportTable() {
@@ -1385,6 +1497,8 @@ public:
ReflMainViewPresenter presenter(&mockView);
EXPECT_CALL(mockView, showAlgorithmDialog("SaveReflTBL"));
presenter.notify(IReflPresenter::ExportTableFlag);
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPlotRowWarn() {
@@ -1416,6 +1530,8 @@ public:
// Tidy up
AnalysisDataService::Instance().remove("TestWorkspace");
AnalysisDataService::Instance().remove("TOF_12345");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
void testPlotGroupWarn() {
@@ -1447,6 +1563,8 @@ public:
AnalysisDataService::Instance().remove("TestWorkspace");
AnalysisDataService::Instance().remove("TOF_12345");
AnalysisDataService::Instance().remove("TOF_12346");
+
+ TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
};
diff --git a/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/FunctionBrowser.h b/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/FunctionBrowser.h
index 87c698152d416147984d697f1388586bcfcbb8c6..c9ed1e70dcc5161d9133979b1a95a8ff6dcd466e 100644
--- a/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/FunctionBrowser.h
+++ b/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/FunctionBrowser.h
@@ -296,6 +296,8 @@ protected slots:
void parameterChanged(QtProperty*);
void parameterButtonClicked(QtProperty*);
void globalChanged(QtProperty*, const QString&, bool);
+ /// Set value of an attribute (as a property) to a function
+ void setAttributeToFunction(Mantid::API::IFunction& fun, QtProperty* prop);
protected:
/// Manager for function group properties
diff --git a/MantidQt/MantidWidgets/src/FunctionBrowser.cpp b/MantidQt/MantidWidgets/src/FunctionBrowser.cpp
index edd8806fe5a7c6193b98df76b252a8d114346712..4184cc459586d37d77b198d246ceac180de1eab4 100644
--- a/MantidQt/MantidWidgets/src/FunctionBrowser.cpp
+++ b/MantidQt/MantidWidgets/src/FunctionBrowser.cpp
@@ -1348,6 +1348,28 @@ void FunctionBrowser::addFunction()
emit functionStructureChanged();
}
+/**
+ * Set value of an attribute (as a property) to a function.
+ * @param fun :: Function to which attribute is set.
+ * @param prop :: A property with the name and value of the attribute.
+ */
+void FunctionBrowser::setAttributeToFunction(Mantid::API::IFunction& fun, QtProperty* prop)
+{
+ std::string attName = prop->propertyName().toStdString();
+ SetAttributeFromProperty setter(this,prop);
+ Mantid::API::IFunction::Attribute attr = fun.getAttribute(attName);
+ attr.apply(setter);
+ try
+ {
+ fun.setAttribute(attName,attr);
+ }
+ catch(std::exception& expt)
+ {
+ QMessageBox::critical(this,"MantidPlot - Error", "Cannot set attribute " + QString::fromStdString(attName) +
+ " of function " + prop->propertyName() + ":\n\n" + QString::fromStdString(expt.what()));
+ }
+}
+
/**
* Return the function
* @param prop :: Function property
@@ -1380,6 +1402,10 @@ Mantid::API::IFunction_sptr FunctionBrowser::getFunction(QtProperty* prop, bool
cf->addFunction(f);
}
}
+ else if (isAttribute(child))
+ {
+ setAttributeToFunction(*fun, child);
+ }
}
}
else
@@ -1390,19 +1416,7 @@ Mantid::API::IFunction_sptr FunctionBrowser::getFunction(QtProperty* prop, bool
{
if (isAttribute(child))
{
- std::string attName = child->propertyName().toStdString();
- SetAttributeFromProperty setter(this,child);
- Mantid::API::IFunction::Attribute attr = fun->getAttribute(attName);
- attr.apply(setter);
- try
- {
- fun->setAttribute(attName,attr);
- }
- catch(std::exception& expt)
- {
- QMessageBox::critical(this,"MantidPlot - Error", "Cannot set attribute " + QString::fromStdString(attName) +
- " of function " + prop->propertyName() + ":\n\n" + QString::fromStdString(expt.what()));
- }
+ setAttributeToFunction(*fun, child);
}
else if (!attributesOnly && isParameter(child))
{
diff --git a/MantidQt/MantidWidgets/src/MuonSequentialFitDialog.cpp b/MantidQt/MantidWidgets/src/MuonSequentialFitDialog.cpp
index 49ba9501a901953737b28baed4496415ab89b8c3..2169429a18df8d1b89d87677a524940365dd3ffe 100644
--- a/MantidQt/MantidWidgets/src/MuonSequentialFitDialog.cpp
+++ b/MantidQt/MantidWidgets/src/MuonSequentialFitDialog.cpp
@@ -368,28 +368,23 @@ namespace MantidWidgets
MatrixWorkspace_sptr ws;
- auto load = boost::dynamic_pointer_cast<AlgorithmProxy>( AlgorithmManager::Instance().create("MuonLoad") );
- load->setChild(true);
- load->setRethrows(true);
- load->copyPropertiesFrom(*m_loadAlg);
-
- try
- {
+ try {
+ auto load = AlgorithmManager::Instance().create("MuonLoad");
load->initialize();
-
- load->setPropertyValue( "Filename", fileIt->toStdString() );
- load->setPropertyValue( "OutputWorkspace", "__YouDontSeeMeIAmNinja" ); // Is not used
-
- if ( m_fitPropBrowser->rawData() ) // TODO: or vice verca?
- load->setPropertyValue( "RebinParams", "" );
+ load->setChild(true);
+ load->setRethrows(true);
+ load->updatePropertyValues(*m_loadAlg);
+ load->setPropertyValue("Filename", fileIt->toStdString());
+ load->setPropertyValue("OutputWorkspace", "__YouDontSeeMeIAmNinja");
+ if (m_fitPropBrowser->rawData()) // TODO: or vice verca?
+ load->setPropertyValue("RebinParams", "");
load->execute();
ws = load->getProperty("OutputWorkspace");
- }
- catch(...)
- {
- QMessageBox::critical(this, "Loading failed",
+ } catch (...) {
+ QMessageBox::critical(
+ this, "Loading failed",
"Unable to load one of the files.\n\nCheck log for details");
break;
}
diff --git a/MantidQt/SliceViewer/src/PeaksViewer.cpp b/MantidQt/SliceViewer/src/PeaksViewer.cpp
index 8034a80c7909877c78b2e430082b98b8e5b4776a..ac8fb544ccfb0608c79fc78374bcc485ece737eb 100644
--- a/MantidQt/SliceViewer/src/PeaksViewer.cpp
+++ b/MantidQt/SliceViewer/src/PeaksViewer.cpp
@@ -122,9 +122,9 @@ PeaksViewer::~PeaksViewer() {}
*/
bool PeaksViewer::hasThingsToShow() const { return m_presenter->size() >= 1; }
-void PeaksViewer:: clearPeaksModeRequest(
+void PeaksViewer::clearPeaksModeRequest(
const PeaksWorkspaceWidget *const originWidget, const bool on) {
- EditMode mode;
+ EditMode mode = None;
if (on) {
QList<PeaksWorkspaceWidget *> children =
qFindChildren<PeaksWorkspaceWidget *>(this);
@@ -149,7 +149,7 @@ void PeaksViewer:: clearPeaksModeRequest(
void PeaksViewer::addPeaksModeRequest(const PeaksWorkspaceWidget * const originWidget, const bool on)
{
- EditMode mode;
+ EditMode mode = None;
if(on) {
QList<PeaksWorkspaceWidget *> children =
qFindChildren<PeaksWorkspaceWidget *>(this);
diff --git a/MantidQt/SpectrumViewer/inc/MantidQtSpectrumViewer/GraphDisplay.h b/MantidQt/SpectrumViewer/inc/MantidQtSpectrumViewer/GraphDisplay.h
index b3cd39f36e9a261ea1cfe2f29978d28b1efbb2c1..a7cdd630803f9bf82ed17fe8141e2dfad3eaac94 100644
--- a/MantidQt/SpectrumViewer/inc/MantidQtSpectrumViewer/GraphDisplay.h
+++ b/MantidQt/SpectrumViewer/inc/MantidQtSpectrumViewer/GraphDisplay.h
@@ -96,7 +96,7 @@ class EXPORT_OPT_MANTIDQT_SPECTRUMVIEWER GraphDisplay
double m_minY;
double m_maxY;
- static QColor g_curveColors[];
+ static std::vector<QColor> g_curveColors;
};
diff --git a/MantidQt/SpectrumViewer/src/GraphDisplay.cpp b/MantidQt/SpectrumViewer/src/GraphDisplay.cpp
index fb458c40088478e07a1b3a7bc941514268b022d4..3b3f3f25de46e91737a218ce8c00db2f5d172919 100644
--- a/MantidQt/SpectrumViewer/src/GraphDisplay.cpp
+++ b/MantidQt/SpectrumViewer/src/GraphDisplay.cpp
@@ -12,7 +12,7 @@ namespace MantidQt
namespace SpectrumView
{
-QColor GraphDisplay::g_curveColors[] = {Qt::black, Qt::red, Qt::green, Qt::blue};
+std::vector<QColor> GraphDisplay::g_curveColors;
/**
* Construct a GraphDisplay to display selected graph on the specifed plot
@@ -40,6 +40,11 @@ GraphDisplay::GraphDisplay( QwtPlot* graphPlot,
{
if(isVertical)
graphPlot->setAxisMaxMajor( QwtPlot::xBottom, 3 );
+
+ g_curveColors.push_back(Qt::black);
+ g_curveColors.push_back(Qt::red);
+ g_curveColors.push_back(Qt::green);
+ g_curveColors.push_back(Qt::blue);
}
@@ -130,7 +135,7 @@ void GraphDisplay::setData(const QVector<double> & xData,
auto curve = new QwtPlotCurve;
curve->setData( xData, yData );
curve->attach( m_graphPlot );
- auto colorIndex = m_curves.size() % sizeof(g_curveColors);
+ auto colorIndex = m_curves.size() % g_curveColors.size();
curve->setPen(QPen(g_curveColors[colorIndex]));
m_curves.append(curve);
diff --git a/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py b/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
index d0fbaa674ef409534fa863367f3485c382d0a7c4..11fa3b62ea0893150faf633ee78992f4c4117bdd 100644
--- a/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
+++ b/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
@@ -238,6 +238,10 @@ class VesuvioTests(unittest.TestCase):
#================== Failure cases ================================
+ def test_run_range_bad_order_raises_error(self):
+ self.assertRaises(RuntimeError, ms.LoadVesuvio, Filename="14188-14187",
+ OutputWorkspace=self.ws_name)
+
def test_missing_spectra_property_raises_error(self):
self.assertRaises(RuntimeError, ms.LoadVesuvio, Filename="14188",
OutputWorkspace=self.ws_name)
diff --git a/Vates/VatesAPI/src/vtkMDHistoQuadFactory.cpp b/Vates/VatesAPI/src/vtkMDHistoQuadFactory.cpp
index 748722813c5ac3a15ecafcdd812c525e03cee2c2..5413e173b246519bac7a43cb2f923107b971d8ea 100644
--- a/Vates/VatesAPI/src/vtkMDHistoQuadFactory.cpp
+++ b/Vates/VatesAPI/src/vtkMDHistoQuadFactory.cpp
@@ -92,6 +92,12 @@ namespace Mantid
coord_t incrementX = (maxX - minX) / static_cast<coord_t>(nBinsX);
coord_t incrementY = (maxY - minY) / static_cast<coord_t>(nBinsY);
+ boost::scoped_ptr<MDHistoWorkspaceIterator> iterator(dynamic_cast<MDHistoWorkspaceIterator*>(createIteratorWithNormalization(m_normalizationOption, m_workspace.get())));
+ if (!iterator) {
+ throw std::runtime_error(
+ "Could not convert IMDIterator to a MDHistoWorkspaceIterator");
+ }
+
const int imageSize = (nBinsX ) * (nBinsY );
vtkPoints *points = vtkPoints::New();
points->Allocate(static_cast<int>(imageSize));
@@ -119,8 +125,7 @@ namespace Mantid
double progressFactor = 0.5/double(nBinsX);
double progressOffset = 0.5;
- boost::scoped_ptr<MDHistoWorkspaceIterator> iterator(dynamic_cast<MDHistoWorkspaceIterator*>(createIteratorWithNormalization(m_normalizationOption, m_workspace.get())));
-
+
size_t index = 0;
for (int i = 0; i < nBinsX; i++)
{
diff --git a/buildconfig/move_class.py b/buildconfig/move_class.py
index e51e53c45c28785f805f69b2f99f707b9d2a239b..09b62d51fee7a4296d2b399b93a97d5dfda56511 100755
--- a/buildconfig/move_class.py
+++ b/buildconfig/move_class.py
@@ -15,32 +15,36 @@ def move_one(subproject, classname, newproject, newclassname, oldfilename, newfi
"""Move one file """
# Move the file
- cmd = "mv " + oldfilename + " " + newfilename
- if not args.no_vcs:
- cmd = "git " + cmd
- print "Running:", cmd
- retval = os.system(cmd)
- if retval != 0:
- raise RuntimeError("Error executing cmd '%s'" % cmd)
-
- f = open(newfilename, 'r')
- text = f.read()
- f.close()
-
- # Replace any includes of it
- text = text.replace("Mantid" + subproject + "/" + args.source_subfolder + classname + ".h",
- "Mantid" + newproject + "/" + args.dest_subfolder + newclassname + ".h")
-
- #Replace the guard
- old_guard = "MANTID_%s_%s_H_" % (subproject.upper(), classname.upper())
- new_guard = "MANTID_%s_%s_H_" % (newproject.upper(), newclassname.upper())
- text = text.replace(old_guard, new_guard)
-
- # Replace the namespace declaration
- text = text.replace("namespace " + subproject, "namespace " + newproject)
- # Replace the conents
- f = open(newfilename, 'w')
- f.write(text)
+ try:
+ cmd = "mv " + oldfilename + " " + newfilename
+ cmd = cmd.replace("\\","/")
+ if not args.no_vcs:
+ cmd = "git " + cmd
+ print "Running:", cmd
+ retval = os.system(cmd)
+ if retval != 0:
+ raise RuntimeError("Error executing cmd '%s'" % cmd)
+
+ f = open(newfilename, 'r')
+ text = f.read()
+ f.close()
+
+ # Replace any includes of it
+ text = text.replace("Mantid" + subproject + "/" + args.source_subfolder + classname + ".h",
+ "Mantid" + newproject + "/" + args.dest_subfolder + newclassname + ".h")
+
+ #Replace the guard
+ old_guard = "MANTID_%s_%s_H_" % (subproject.upper(), classname.upper())
+ new_guard = "MANTID_%s_%s_H_" % (newproject.upper(), newclassname.upper())
+ text = text.replace(old_guard, new_guard)
+
+ # Replace the namespace declaration
+ text = text.replace("namespace " + subproject, "namespace " + newproject)
+ # Replace the conents
+ f = open(newfilename, 'w')
+ f.write(text)
+ except RuntimeError as err:
+ print err
@@ -57,7 +61,7 @@ def move_all(subproject, classname, newproject, newclassname, args):
newheaderfile = os.path.join(newbasedir, "inc/" + new_header_folder + "/" + args.dest_subfolder + newclassname + ".h")
newsourcefile = os.path.join(newbasedir, "src/" + args.dest_subfolder + newclassname + ".cpp")
- newtestfile = os.path.join(newbasedir, "test/" + newclassname + "Test.h")
+ newtestfile = os.path.join(newbasedir, "test/" + args.dest_subfolder + newclassname + "Test.h")
if args.header and not overwrite and os.path.exists(newheaderfile):
print "\nError! Header file %s already exists. Use --force to overwrite.\n" % newheaderfile
diff --git a/docs/source/algorithms/Fit-v1.rst b/docs/source/algorithms/Fit-v1.rst
index 55baf7dfbf7fbf9ae2af351d8b9afc0e82a8af2a..691219743c2e8a3c20358c1cb28e1cc099dbd908 100644
--- a/docs/source/algorithms/Fit-v1.rst
+++ b/docs/source/algorithms/Fit-v1.rst
@@ -355,5 +355,5 @@ Output:
.. categories::
.. sourcelink::
- :h: Framework/CurveFitting/inc/MantidCurveFitting/Fit.h
- :cpp: Framework/CurveFitting/src/Fit.cpp
\ No newline at end of file
+ :h: Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/Fit.h
+ :cpp: Framework/CurveFitting/src/Algorithms/Fit.cpp
\ No newline at end of file
diff --git a/docs/source/algorithms/LoadMuonNexus-v1.rst b/docs/source/algorithms/LoadMuonNexus-v1.rst
index acd6e582bb31550062f1022df13e320769f1b1b6..5f8aaf88a3c54b19f06667b7430512ea550aefdc 100644
--- a/docs/source/algorithms/LoadMuonNexus-v1.rst
+++ b/docs/source/algorithms/LoadMuonNexus-v1.rst
@@ -79,77 +79,6 @@ The ChildAlgorithms used by LoadMuonNexus are:
LoadInstrument fails. As the Nexus file has limited instrument data,
this only populates a few fields.
-Usage
------
-
-.. include:: ../usagedata-note.txt
-
-**Example - Load ISIS muon MUSR dataset:**
-
-.. testcode:: LoadMuonNexusOnePeriod
-
- # Load MUSR dataset
- ws = LoadMuonNexus(Filename="MUSR00015189.nxs",EntryNumber=1)
- print "Workspace has ", ws[0].getNumberHistograms(), " spectra"
-
-Output:
-
-.. testoutput:: LoadMuonNexusOnePeriod
-
- Workspace has 64 spectra
-
-**Example - Load event nexus file with time filtering:**
-
-.. testcode:: ExLoadMuonNexusSomeSpectra
-
- # Load some spectra
- ws = LoadMuonNexus(Filename="MUSR00015189.nxs",SpectrumMin=5,SpectrumMax=10,EntryNumber=1)
- print "Workspace has ", ws[0].getNumberHistograms(), " spectra"
-
-Output:
-
-.. testoutput:: ExLoadMuonNexusSomeSpectra
-
- Workspace has 6 spectra
-
-**Example - Load dead times into table:**
-
-.. testcode:: ExLoadDeadTimeTable
-
- # Load some spectra
- ws = LoadMuonNexus(Filename="emu00006473.nxs",SpectrumMin=5,SpectrumMax=10,DeadTimeTable="deadTimeTable")
- tab = mtd['deadTimeTable']
- for i in range(0,tab.rowCount()):
- print tab.cell(i,0), tab.cell(i,1)
-
-Output:
-
-.. testoutput:: ExLoadDeadTimeTable
-
- 5 0.00161112251226
- 6 0.00215016817674
- 7 0.0102171599865
- 8 0.00431686220691
- 9 0.00743605662137
- 10 0.00421147653833
-
-**Example - Load detector grouping into table:**
-
-.. testcode:: ExLoadDetectorGrouping
-
- # Load some spectra
- ws = LoadMuonNexus(Filename="emu00006473.nxs",SpectrumList="1,16,17,32",DetectorGroupingTable="detectorTable")
- tab = mtd['detectorTable']
- for i in range(0,tab.rowCount()):
- print tab.cell(i,0)
-
-Output:
-
-.. testoutput:: ExLoadDetectorGrouping
-
- [ 1 16]
- [17 32]
-
.. categories::
.. sourcelink::
diff --git a/docs/source/algorithms/LoadMuonNexus-v2.rst b/docs/source/algorithms/LoadMuonNexus-v2.rst
index 0ca954061e4aad8e1f7858f51b8fbd86d6ad6d88..2e0732e98a485b22bc128fe43e25cb757d49a566 100644
--- a/docs/source/algorithms/LoadMuonNexus-v2.rst
+++ b/docs/source/algorithms/LoadMuonNexus-v2.rst
@@ -80,6 +80,77 @@ detects that it has been asked to load a previous version muon nexus
file it will call the previous version of the algorithm to perform the
task.
+Usage
+-----
+
+.. include:: ../usagedata-note.txt
+
+**Example - Load ISIS muon MUSR dataset:**
+
+.. testcode:: LoadMuonNexusOnePeriod
+
+ # Load MUSR dataset
+ ws = LoadMuonNexus(Filename="MUSR00015189.nxs",EntryNumber=1)
+ print "Workspace has ", ws[0].getNumberHistograms(), " spectra"
+
+Output:
+
+.. testoutput:: LoadMuonNexusOnePeriod
+
+ Workspace has 64 spectra
+
+**Example - Load event nexus file with time filtering:**
+
+.. testcode:: ExLoadMuonNexusSomeSpectra
+
+ # Load some spectra
+ ws = LoadMuonNexus(Filename="MUSR00015189.nxs",SpectrumMin=5,SpectrumMax=10,EntryNumber=1)
+ print "Workspace has ", ws[0].getNumberHistograms(), " spectra"
+
+Output:
+
+.. testoutput:: ExLoadMuonNexusSomeSpectra
+
+ Workspace has 6 spectra
+
+**Example - Load dead times into table:**
+
+.. testcode:: ExLoadDeadTimeTable
+
+ # Load some spectra
+ ws = LoadMuonNexus(Filename="emu00006473.nxs",SpectrumMin=5,SpectrumMax=10,DeadTimeTable="deadTimeTable")
+ tab = mtd['deadTimeTable']
+ for i in range(0,tab.rowCount()):
+ print tab.cell(i,0), tab.cell(i,1)
+
+Output:
+
+.. testoutput:: ExLoadDeadTimeTable
+
+ 5 0.00161112251226
+ 6 0.00215016817674
+ 7 0.0102171599865
+ 8 0.00431686220691
+ 9 0.00743605662137
+ 10 0.00421147653833
+
+**Example - Load detector grouping into table:**
+
+.. testcode:: ExLoadDetectorGrouping
+
+ # Load some spectra
+ ws = LoadMuonNexus(Filename="emu00006473.nxs",SpectrumList="1,16,17,32",DetectorGroupingTable="detectorTable")
+ tab = mtd['detectorTable']
+ for i in range(0,tab.rowCount()):
+ print tab.cell(i,0)
+
+Output:
+
+.. testoutput:: ExLoadDetectorGrouping
+
+ [ 1 16]
+ [17 32]
+
.. categories::
.. sourcelink::
diff --git a/docs/source/algorithms/SavePlot1DAsJson-v1.rst b/docs/source/algorithms/SavePlot1DAsJson-v1.rst
index 86cbeeefd4e066d2a6f835388fa7cd9269f02e8e..85bb7a8d062628aad864fac2e7a84bdde2c6c871 100644
--- a/docs/source/algorithms/SavePlot1DAsJson-v1.rst
+++ b/docs/source/algorithms/SavePlot1DAsJson-v1.rst
@@ -26,12 +26,12 @@ Usage
import os, numpy as np
# prepare input
- E = np.arange(-50, 50, 1.0)
+ E = np.arange(-50, 50, 10.0)
I = 1000 * np.exp(-E**2/10**2)
err = I ** .5
dataws = CreateWorkspace(
DataX = E, DataY = I, DataE = err, NSpec = 1,
- UnitX = "Energy(meV)")
+ UnitX = "Energy")
# output path
out_json = "myplot.json"
# run algorithm
diff --git a/docs/source/algorithms/TOFTOFCropWorkspace-v1.rst b/docs/source/algorithms/TOFTOFCropWorkspace-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..2a390bc98a778ae33750d5aaaa43175e39501f3b
--- /dev/null
+++ b/docs/source/algorithms/TOFTOFCropWorkspace-v1.rst
@@ -0,0 +1,59 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+Applies algorithm :ref:`algm-Cropworkspace` to an input workspace or a group of workspaces to crop the empty time channels. Boundaries are calculated as follows:
+
+ :math:`X_{min} = 0`
+
+ :math:`X_{max} = N_{fc}\times\Delta t`
+
+where :math:`N_{fc}` is the number of full time channels defined in the *full_channels* sample log and :math:`\Delta t` is the channel width defined in the *channel_width* sample log.
+
+
+Restrictions on the input workspace
+###################################
+
+- The unit of the X-axis must be **Time-of-flight**.
+- Workspace must contain *channel_width* and *full_channels* sample logs.
+
+
+Usage
+-----
+
+**Example**
+
+.. testcode:: ExTOFTOFCropWorkspace
+
+ # Load data
+ ws=Load(Filename='TOFTOFTestdata.nxs')
+
+ print "Input workspace"
+ print "Total number of time channels: ", len(ws.readX(0))
+ print "Number of filled time channels: ", ws.getRun().getLogData('full_channels').value
+
+ wscropped = TOFTOFCropWorkspace(ws)
+
+ print "Output workspace"
+ print "Total number of time channels: ", len(wscropped.readX(0))
+
+Output:
+
+.. testoutput:: ExTOFTOFCropWorkspace
+
+ Input workspace
+ Total number of time channels: 1025
+ Number of filled time channels: 1020.0
+ Output workspace
+ Total number of time channels: 1020
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/fitfunctions/Convolution.rst b/docs/source/fitfunctions/Convolution.rst
index 4131d38a6c02f0a7699718f67a20c12abd0adb33..2d1effda494a58834752a49bd3c7ab410c77c1ce 100644
--- a/docs/source/fitfunctions/Convolution.rst
+++ b/docs/source/fitfunctions/Convolution.rst
@@ -45,5 +45,5 @@ Note that the box function is defined on interval [-5, 5]:
.. categories::
.. sourcelink::
- :h: Framework/CurveFitting/inc/MantidCurveFitting/Convolution.h
- :cpp: Framework/CurveFitting/src/Convolution.cpp
\ No newline at end of file
+ :h: Framework/CurveFitting/inc/MantidCurveFitting/Functions/Convolution.h
+ :cpp: Framework/CurveFitting/src/Functions/Convolution.cpp
\ No newline at end of file
diff --git a/docs/source/fitfunctions/Quadratic.rst b/docs/source/fitfunctions/Quadratic.rst
index ec969de22b9b6177cdc4299d1f9a2d8f8cfcc9c0..8ff860a418240b00e5bc2f381b9f03c666f4c98e 100644
--- a/docs/source/fitfunctions/Quadratic.rst
+++ b/docs/source/fitfunctions/Quadratic.rst
@@ -26,5 +26,5 @@ where
.. categories::
.. sourcelink::
- :h: Framework/CurveFitting/inc/MantidCurveFitting/Quadratic.h
- :cpp: Framework/CurveFitting/src/Quadratic.cpp
\ No newline at end of file
+ :h: Framework/CurveFitting/inc/MantidCurveFitting/Functions/Quadratic.h
+ :cpp: Framework/CurveFitting/src/Functions/Quadratic.cpp
\ No newline at end of file
diff --git a/docs/source/fitfunctions/UserFunction.rst b/docs/source/fitfunctions/UserFunction.rst
index 9cda7f413fdb76f7d3bbc3a30e82de60e69f4a32..9a8201cec132e63b0bd6cfd040011538f6b8b9b7 100644
--- a/docs/source/fitfunctions/UserFunction.rst
+++ b/docs/source/fitfunctions/UserFunction.rst
@@ -25,5 +25,5 @@ go first in UserFunction definition.
.. categories::
.. sourcelink::
- :h: Framework/CurveFitting/inc/MantidCurveFitting/UserFunction.h
- :cpp: Framework/CurveFitting/src/UserFunction.cpp
\ No newline at end of file
+ :h: Framework/CurveFitting/inc/MantidCurveFitting/Functions/UserFunction.h
+ :cpp: Framework/CurveFitting/src/Functions/UserFunction.cpp
\ No newline at end of file
diff --git a/scripts/Interface/ui/reflectometer/refl_save.py b/scripts/Interface/ui/reflectometer/refl_save.py
index 6dabce7fe2a500d16899e687dde973628f1c98de..52f4c8dc61f64444d7263953e7a70dcf40d99a0a 100644
--- a/scripts/Interface/ui/reflectometer/refl_save.py
+++ b/scripts/Interface/ui/reflectometer/refl_save.py
@@ -1,8 +1,8 @@
-#pylint: disable=invalid-name
+#pylint: disable-all
from PyQt4 import QtCore, QtGui
import os
from mantid.simpleapi import *
-from mantid.api import WorkspaceGroup
+from mantid.api import WorkspaceGroup, AnalysisDataService
import xml.etree.ElementTree as xml
from isis_reflectometry.quick import *
from isis_reflectometry.procedures import *
@@ -32,10 +32,12 @@ class Ui_SaveWindow(object):
def setupUi(self, SaveWindow):
self.SavePath=""
SaveWindow.setObjectName(_fromUtf8("SaveWindow"))
- SaveWindow.resize(700, 450)
+ SaveWindow.setSizePolicy(QtGui.QSizePolicy(QtGui.QSizePolicy.Expanding, QtGui.QSizePolicy.Expanding))
SaveWindow.setAcceptDrops(True)
-
+ main_layout = QtGui.QHBoxLayout()
+ SaveWindow.setLayout(main_layout)
self.centralWidget = QtGui.QWidget(SaveWindow)
+ main_layout.addWidget(self.centralWidget)
self.centralWidget.setObjectName(_fromUtf8("centralWidget"))
self.gridLayout_2 = QtGui.QGridLayout(self.centralWidget)
self.gridLayout_2.setObjectName(_fromUtf8("gridLayout_2"))
@@ -236,12 +238,18 @@ class Ui_SaveWindow(object):
def retranslateUi(self, SaveWindow):
SaveWindow.setWindowTitle(QtGui.QApplication.translate("SaveWindow", "SaveWindow", None, QtGui.QApplication.UnicodeUTF8))
- self.pushButton.setText(QtGui.QApplication.translate("SaveWindow", "SAVE", None, QtGui.QApplication.UnicodeUTF8))
+ self.pushButton.setText(QtGui.QApplication.translate("SaveWindow", "Save", None, QtGui.QApplication.UnicodeUTF8))
self.pushButton_2.setText(QtGui.QApplication.translate("SaveWindow", "Refresh", None, QtGui.QApplication.UnicodeUTF8))
+ def _get_saveable_workspace_names(self):
+ names = mtd.getObjectNames()
+ # Exclude WorkspaceGroups from our list. We cannot save them to ASCII.
+ names = [i for i in names if not isinstance(AnalysisDataService.retrieve(i), WorkspaceGroup)]
+ return names
+
def filterWksp(self):
self.listWidget.clear()
- names = mtd.getObjectNames()
+ names = self._get_saveable_workspace_names()
if self.regExCheckBox.isChecked():
regex=re.compile(self.filterEdit.text())
filtered = list()
@@ -268,7 +276,7 @@ class Ui_SaveWindow(object):
def populateList(self):
self.listWidget.clear()
- names = mtd.getObjectNames()
+ names = self._get_saveable_workspace_names()
if len(names):
RB_Number=groupGet(names[0],'samp','rb_proposal')
for ws in names: