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/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/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/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
index ae51ee6bc546147d19ee3d365b728512e0bf0641..9d3eeba57a4f02f257190c767a07f51f4f6f6df0 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Algorithms/RefinePowderInstrumentParameters.h
@@ -152,43 +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>, Functions::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
- Functions::ThermalNeutronDtoTOFFunction_sptr mFunction;
+ Functions::ThermalNeutronDtoTOFFunction_sptr m_Function;
};
/** Formular for linear iterpolation: X = [(xf-x0)*Y - (xf*y0-x0*yf)]/(yf-y0)
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/src/Algorithms/RefinePowderInstrumentParameters.cpp b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
index 98a64f0b76769673b79f16fcf1fab4ce31aea6d1..80d4fdec61c340ed49b564399931f1824e76dc26 100644
--- a/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
+++ b/Framework/CurveFitting/src/Algorithms/RefinePowderInstrumentParameters.cpp
@@ -48,7 +48,9 @@ DECLARE_ALGORITHM(RefinePowderInstrumentParameters)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-RefinePowderInstrumentParameters::RefinePowderInstrumentParameters() {}
+RefinePowderInstrumentParameters::RefinePowderInstrumentParameters()
+ : m_BestGSLChi2(0.0), m_MinSigma(0.0), m_MinNumFittedPeaks(0),
+ m_MaxNumberStoredParameters(0) {}
//----------------------------------------------------------------------------------------------
/** Destructor
@@ -145,7 +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) {
@@ -153,13 +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)
@@ -172,14 +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;
@@ -208,7 +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 =
@@ -228,16 +230,16 @@ void RefinePowderInstrumentParameters::fitInstrumentParameters() {
// 1. Initialize the fitting function
ThermalNeutronDtoTOFFunction rawfunc;
- mFunction = boost::make_shared<ThermalNeutronDtoTOFFunction>(rawfunc);
- mFunction->initialize();
+ 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());
@@ -247,22 +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;
@@ -274,9 +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.
@@ -288,13 +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;
@@ -302,8 +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");
@@ -326,31 +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)
@@ -362,18 +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;
}
@@ -392,7 +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");
@@ -462,19 +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();
@@ -494,33 +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];
@@ -548,30 +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);
@@ -623,7 +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;
@@ -656,7 +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
@@ -669,13 +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);
}
@@ -688,8 +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;
@@ -697,15 +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;
@@ -752,12 +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;
@@ -773,24 +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();
@@ -809,7 +812,7 @@ void RefinePowderInstrumentParameters::getD2TOFFuncParamNames(
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;
@@ -824,14 +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;
}
*/
;
@@ -861,7 +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) {
@@ -873,7 +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();
@@ -940,12 +943,12 @@ void RefinePowderInstrumentParameters::genPeaksFromTable(
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;
@@ -1118,17 +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];
@@ -1149,7 +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
@@ -1176,12 +1179,12 @@ void RefinePowderInstrumentParameters::genPeakCentersWorkspace(
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
@@ -1222,18 +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;
@@ -1250,18 +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
@@ -1290,7 +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;
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/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/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..7451386f8b8db60e5b313c9fbb60b6623ff0cae6 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);
}
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/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/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/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/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/MantidPlot/src/Graph.cpp b/MantidPlot/src/Graph.cpp
index db3b3e6fcd290c43819c2df94f5f38d021aee8a4..f147c078e4ad2bfb4bfa4d86e70023fb3ff7fd4c 100644
--- a/MantidPlot/src/Graph.cpp
+++ b/MantidPlot/src/Graph.cpp
@@ -1436,7 +1436,8 @@ 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();
}
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/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/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/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/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);