/**
* Removes error columns from the table if all errors are zero,
* as these columns correspond to fixed parameters.
* @param table :: [input, output] Pointer to TableWorkspace to edit
*/
void MuonAnalysisResultTableCreator::removeFixedParameterErrors(
const ITableWorkspace_sptr table) const {
assert(table);
const size_t nRows = table->rowCount();
const auto colNames = table->getColumnNames();
std::vector<std::string> zeroErrorColumns;
for (const auto &name : colNames) {
// if name does not end with "Error", continue
const size_t nameLength = name.length();
if (nameLength < ERROR_LENGTH ||
name.compare(nameLength - ERROR_LENGTH, ERROR_LENGTH, ERROR_STRING)) {
continue;
}
auto col = table->getColumn(name);
bool allZeros = true;
// Check if all values in the column are zero
for (size_t iRow = 0; iRow < nRows; ++iRow) {
const double val = col->toDouble(iRow);
if (std::abs(val) > std::numeric_limits<double>::epsilon()) {
allZeros = false;
break;
}
}
if (allZeros) {
zeroErrorColumns.push_back(name);
}
}
for (const auto &name : zeroErrorColumns) {
table->removeColumn(name);
}
}
ITableWorkspace_sptr ReflCatalogSearcher::search(const std::string &text) {
auto sessions = CatalogManager::Instance().getActiveSessions();
if (sessions.empty())
throw std::runtime_error("You are not logged into any catalogs.");
const std::string sessionId = sessions.front()->getSessionId();
auto algSearch = AlgorithmManager::Instance().create("CatalogGetDataFiles");
algSearch->initialize();
algSearch->setChild(true);
algSearch->setLogging(false);
algSearch->setProperty("Session", sessionId);
algSearch->setProperty("InvestigationId", text);
algSearch->setProperty("OutputWorkspace", "_ReflSearchResults");
algSearch->execute();
ITableWorkspace_sptr results = algSearch->getProperty("OutputWorkspace");
// Now, tidy up the data
std::set<size_t> toRemove;
for (size_t i = 0; i < results->rowCount(); ++i) {
std::string &run = results->String(i, 0);
// Too short to be more than ".raw or .nxs"
if (run.size() < 5) {
toRemove.insert(i);
}
}
// Sets are sorted so if we go from back to front we won't trip over ourselves
for (auto row = toRemove.rbegin(); row != toRemove.rend(); ++row)
results->removeRow(*row);
return results;
}
/**
* Convert a grouping table to a grouping struct.
* @param table :: A table to convert
* @return Grouping info
*/
boost::shared_ptr<Grouping> tableToGrouping(ITableWorkspace_sptr table)
{
auto grouping = boost::make_shared<Grouping>();
for ( size_t row = 0; row < table->rowCount(); ++row )
{
std::vector<int> detectors = table->cell< std::vector<int> >(row,0);
// toString() expects the sequence to be sorted
std::sort( detectors.begin(), detectors.end() );
// Convert to a range string, i.e. 1-5,6-8,9
std::string detectorRange = Strings::toString(detectors);
grouping->groupNames.push_back(boost::lexical_cast<std::string>(row + 1));
grouping->groups.push_back(detectorRange);
}
// If we have 2 groups only - create a longitudinal pair
if ( grouping->groups.size() == 2 )
{
grouping->pairNames.push_back("long");
grouping->pairAlphas.push_back(1.0);
grouping->pairs.push_back(std::make_pair(0,1));
}
return grouping;
}
/** Parse profile table workspace to a map (the new ...
*/
void SaveGSASInstrumentFile::parseProfileTableWorkspace(
ITableWorkspace_sptr ws,
map<unsigned int, map<string, double>> &profilemap) {
size_t numbanks = ws->columnCount() - 1;
size_t numparams = ws->rowCount();
vector<map<string, double>> vec_maptemp(numbanks);
vector<unsigned int> vecbankindex(numbanks);
// Check
vector<string> colnames = ws->getColumnNames();
if (colnames[0].compare("Name"))
throw runtime_error("The first column must be Name");
// Parse
for (size_t irow = 0; irow < numparams; ++irow) {
TableRow tmprow = ws->getRow(irow);
string parname;
tmprow >> parname;
if (parname.compare("BANK")) {
for (size_t icol = 0; icol < numbanks; ++icol) {
double tmpdbl;
tmprow >> tmpdbl;
vec_maptemp[icol].insert(make_pair(parname, tmpdbl));
}
} else {
for (size_t icol = 0; icol < numbanks; ++icol) {
double tmpint;
tmprow >> tmpint;
vecbankindex[icol] = static_cast<unsigned int>(tmpint);
}
}
}
ITableWorkspace_sptr ReflCatalogSearcher::search(const std::string& text, const std::string& instrument)
{
auto sessions = CatalogManager::Instance().getActiveSessions();
if(sessions.empty())
throw std::runtime_error("You are not logged into any catalogs.");
const std::string sessionId = sessions.front()->getSessionId();
auto algSearch = AlgorithmManager::Instance().create("CatalogGetDataFiles");
algSearch->initialize();
algSearch->setChild(true);
algSearch->setLogging(false);
algSearch->setProperty("Session", sessionId);
algSearch->setProperty("InvestigationId", text);
algSearch->setProperty("OutputWorkspace", "_ReflSearchResults");
algSearch->execute();
ITableWorkspace_sptr results = algSearch->getProperty("OutputWorkspace");
//Now, tidy up the data
std::set<size_t> toRemove;
for(size_t i = 0; i < results->rowCount(); ++i)
{
std::string& run = results->String(i,0);
//Too short to be more than ".raw"
if(run.size() < 5)
{
toRemove.insert(i);
}
//If this isn't the right instrument, remove it
else if(run.substr(0, instrument.size()) != instrument)
{
toRemove.insert(i);
}
//If it's not a raw file, remove it
else if(run.substr(run.size() - 4, 4) != ".raw")
{
toRemove.insert(i);
}
//It's a valid run, so let's trim the instrument prefix and ".raw" suffix
run = run.substr(instrument.size(), run.size() - (instrument.size() + 4));
//Let's also get rid of any leading zeros
size_t numZeros = 0;
while(run[numZeros] == '0')
numZeros++;
run = run.substr(numZeros, run.size() - numZeros);
}
//Sets are sorted so if we go from back to front we won't trip over ourselves
for(auto row = toRemove.rbegin(); row != toRemove.rend(); ++row)
results->removeRow(*row);
return results;
}
/**
* Run new CompareWorkspaces algorithm as a child algorithm.
*
* Result string formatted the same way as before; "Success!" when workspaces
* match or a newline separated list of mismatch messages.
*
* @param group_compare Should output be formatted like group comparison?
* @return A string containing either successString() or mismatch messages
*/
std::string CheckWorkspacesMatch::runCompareWorkspaces(bool group_compare) {
// This algorithm produces a single result string
std::string result;
// Use new CompareWorkspaces algorithm to perform comparison
Algorithm_sptr compare = this->createChildAlgorithm("CompareWorkspaces");
compare->setRethrows(true);
compare->setLogging(false);
// Forward workspace properties
Workspace_sptr ws1 = getProperty("Workspace1");
Workspace_sptr ws2 = getProperty("Workspace2");
compare->setProperty("Workspace1", ws1);
compare->setProperty("Workspace2", ws2);
// Copy any other non-default properties
const std::vector<Property *> &allProps = this->getProperties();
auto propCount = allProps.size();
for (size_t i = 0; i < propCount; ++i) {
Property *prop = allProps[i];
const std::string &pname = prop->name();
if (!prop->isDefault() && pname != "Workspace1" && pname != "Workspace2" &&
pname != "Result")
compare->setPropertyValue(pname, prop->value());
}
// Execute comparison
compare->execute();
// Generate result string
if (!compare->getProperty("Result")) {
ITableWorkspace_sptr table = compare->getProperty("Messages");
auto rowcount = table->rowCount();
for (size_t i = 0; i < rowcount; ++i) {
result += table->cell<std::string>(i, 0);
// Emulate special case output format when comparing groups
if (group_compare &&
table->cell<std::string>(i, 0) !=
"Type mismatch. One workspace is a group, the other is not." &&
table->cell<std::string>(i, 0) != "GroupWorkspaces size mismatch.") {
result += ". Inputs=[" + table->cell<std::string>(i, 1) + "," +
table->cell<std::string>(i, 2) + "]";
}
if (i < (rowcount - 1))
result += "\n";
}
} else {
result = successString();
}
return result;
}
/**
* Creates a domain from an ITableWorkspace
*
* This method creates a LatticeDomain from a table workspace that contains two
* columns, HKL and d. HKL can either be a V3D-column or a string column,
* containing three integers separated by space, comma, semi-colon and
* optionally surrounded by []. The d-column can be double or a string that can
* be parsed as a double number.
*
* @param workspace :: ITableWorkspace with format specified above.
* @param domain :: Pointer to outgoing FunctionDomain instance.
* @param values :: Pointer to outgoing FunctionValues object.
* @param i0 :: Size offset for values object if it already contains data.
*/
void LatticeDomainCreator::createDomainFromPeakTable(
const ITableWorkspace_sptr &workspace,
boost::shared_ptr<FunctionDomain> &domain,
boost::shared_ptr<FunctionValues> &values, size_t i0) {
size_t peakCount = workspace->rowCount();
if (peakCount < 1) {
throw std::range_error("Cannot create a domain for 0 peaks.");
}
try {
Column_const_sptr hklColumn = workspace->getColumn("HKL");
Column_const_sptr dColumn = workspace->getColumn("d");
std::vector<V3D> hkls;
hkls.reserve(peakCount);
std::vector<double> dSpacings;
dSpacings.reserve(peakCount);
V3DFromHKLColumnExtractor extractor;
for (size_t i = 0; i < peakCount; ++i) {
try {
V3D hkl = extractor(hklColumn, i);
if (hkl != V3D(0, 0, 0)) {
hkls.push_back(hkl);
double d = (*dColumn)[i];
dSpacings.push_back(d);
}
} catch (const std::bad_alloc &) {
// do nothing.
}
}
domain = boost::make_shared<LatticeDomain>(hkls);
if (!values) {
values = boost::make_shared<FunctionValues>(*domain);
} else {
values->expand(i0 + domain->size());
}
values->setFitData(dSpacings);
values->setFitWeights(1.0);
} catch (const std::runtime_error &) {
// Column does not exist
throw std::runtime_error("Can not process table, the following columns are "
"required: HKL, d.");
}
}
int PoldiFitPeaks1D2::getBestChebyshevPolynomialDegree(
const Workspace2D_sptr &dataWorkspace, const RefinedRange_sptr &range) {
double chiSquareMin = 1e10;
int nMin = -1;
try {
int n = 0;
while ((n < 3)) {
IAlgorithm_sptr fit = getFitAlgorithm(dataWorkspace, range, n);
bool fitSuccess = fit->execute();
if (fitSuccess) {
ITableWorkspace_sptr fitCharacteristics =
fit->getProperty("OutputParameters");
TableRow row =
fitCharacteristics->getRow(fitCharacteristics->rowCount() - 1);
double chiSquare = row.Double(1);
if (fabs(chiSquare - 1) < fabs(chiSquareMin - 1)) {
chiSquareMin = chiSquare;
nMin = n;
}
}
++n;
}
} catch (std::runtime_error) {
nMin = -1;
}
if (nMin == -1) {
g_log.information() << "Range [" << range->getXStart() << " - "
<< range->getXEnd() << "] is excluded.";
} else {
g_log.information() << "Chi^2 for range [" << range->getXStart() << " - "
<< range->getXEnd() << "] is minimal at n = " << nMin
<< " with Chi^2 = " << chiSquareMin << std::endl;
}
return nMin;
}
std::vector<size_t>
ConcretePeaksPresenter::findVisiblePeakIndexes(const PeakBoundingBox &box) {
std::vector<size_t> indexes;
// Don't bother to find peaks in the region if there are no peaks to find.
if (this->m_peaksWS->getNumberPeaks() >= 1) {
double radius =
m_viewPeaks
->getRadius(); // Effective radius of each peak representation.
Mantid::API::IPeaksWorkspace_sptr peaksWS =
boost::const_pointer_cast<Mantid::API::IPeaksWorkspace>(
this->m_peaksWS);
PeakBoundingBox transformedViewableRegion = box.makeSliceBox(radius);
transformedViewableRegion.transformBox(m_transform);
Mantid::API::IAlgorithm_sptr alg =
AlgorithmManager::Instance().create("PeaksInRegion");
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("InputWorkspace", peaksWS);
alg->setProperty("OutputWorkspace", peaksWS->name() + "_peaks_in_region");
alg->setProperty("Extents", transformedViewableRegion.toExtents());
alg->setProperty("CheckPeakExtents", false); // consider all peaks as points
alg->setProperty("PeakRadius", radius);
alg->setPropertyValue("CoordinateFrame", m_transform->getFriendlyName());
alg->execute();
ITableWorkspace_sptr outTable = alg->getProperty("OutputWorkspace");
for (size_t i = 0; i < outTable->rowCount(); ++i) {
const bool insideRegion = outTable->cell<Boolean>(i, 1);
if (insideRegion) {
indexes.push_back(i);
}
}
}
return indexes;
}
void ConvertTableToMatrixWorkspace::exec()
{
ITableWorkspace_sptr inputWorkspace = getProperty("InputWorkspace");
std::string columnX = getProperty("ColumnX");
std::string columnY = getProperty("ColumnY");
std::string columnE = getProperty("ColumnE");
size_t nrows = inputWorkspace->rowCount();
std::vector<double> X(nrows);
std::vector<double> Y(nrows);
std::vector<double> E(nrows);
inputWorkspace->getColumn(columnX)->numeric_fill(X);
inputWorkspace->getColumn(columnY)->numeric_fill(Y);
if (!columnE.empty())
{
inputWorkspace->getColumn(columnE)->numeric_fill(E);
}
else
{
E.assign(X.size(),1.0);
}
MatrixWorkspace_sptr outputWorkspace = WorkspaceFactory::Instance().create("Workspace2D",1,X.size(),X.size());
outputWorkspace->dataX(0).assign(X.begin(),X.end());
outputWorkspace->dataY(0).assign(Y.begin(),Y.end());
outputWorkspace->dataE(0).assign(E.begin(),E.end());
outputWorkspace->generateSpectraMap();
boost::shared_ptr<Kernel::Units::Label> labelX = boost::dynamic_pointer_cast<Kernel::Units::Label>(
Kernel::UnitFactory::Instance().create("Label")
);
labelX->setLabel(columnX);
outputWorkspace->getAxis(0)->unit() = labelX;
outputWorkspace->setYUnitLabel(columnY);
setProperty("OutputWorkspace", outputWorkspace);
}
/** Setup the data, initialize member variables using a table workspace and
* whitelist
* @param table : A table workspace containing the data
*/
void QDataProcessorTreeModel::setupModelData(ITableWorkspace_sptr table) {
int nrows = static_cast<int>(table->rowCount());
int lastIndex = 0;
std::map<std::string, int> groupIndex;
for (int r = 0; r < nrows; r++) {
const std::string &groupName = m_tWS->String(r, 0);
if (groupIndex.count(groupName) == 0) {
groupIndex[groupName] = lastIndex++;
m_groupName.push_back(groupName);
m_rowsOfGroup.push_back(std::vector<int>());
}
m_rowsOfGroup[groupIndex[groupName]].push_back(r);
}
}
/**
* Construct a Grouping from a table
* @param table :: [input] Table to construct from
*/
Grouping::Grouping(ITableWorkspace_sptr table) {
for (size_t row = 0; row < table->rowCount(); ++row) {
std::vector<int> detectors = table->cell<std::vector<int>>(row, 0);
// toString() expects the sequence to be sorted
std::sort(detectors.begin(), detectors.end());
// Convert to a range string, i.e. 1-5,6-8,9
std::string detectorRange = Kernel::Strings::toString(detectors);
this->groupNames.push_back(std::to_string(row + 1));
this->groups.push_back(detectorRange);
}
// If we have 2 groups only - create a longitudinal pair
if (this->groups.size() == 2) {
this->pairNames.emplace_back("long");
this->pairAlphas.push_back(1.0);
this->pairs.emplace_back(0, 1);
}
}
Workspace_sptr GeneralDomainCreator::createOutputWorkspace(
const std::string &baseName, IFunction_sptr function,
boost::shared_ptr<FunctionDomain> domain,
boost::shared_ptr<FunctionValues> values,
const std::string &outputWorkspacePropertyName) {
if (function->getValuesSize(*domain) != values->size()) {
throw std::runtime_error("Failed to create output workspace: domain and "
"values object don't match.");
}
size_t rowCount = domain->size();
if (rowCount == 0) {
auto &generalFunction = dynamic_cast<IFunctionGeneral &>(*function);
rowCount = generalFunction.getDefaultDomainSize();
}
ITableWorkspace_sptr outputWorkspace;
auto inputWorkspace = getInputWorkspace();
// Clone the data and domain columns from inputWorkspace to outputWorkspace.
if (inputWorkspace) {
// Collect the names of columns to clone
std::vector<std::string> columnsToClone;
for (auto &propName : m_domainColumnNames) {
auto columnName = m_manager->getPropertyValue(propName);
columnsToClone.push_back(columnName);
}
for (auto &propName : m_dataColumnNames) {
auto columnName = m_manager->getPropertyValue(propName);
columnsToClone.push_back(columnName);
}
outputWorkspace = inputWorkspace->cloneColumns(columnsToClone);
if (rowCount != outputWorkspace->rowCount()) {
throw std::runtime_error("Cloned workspace has wrong number of rows.");
}
// Add columns with the calculated data
size_t i0 = 0;
for (auto &propName : m_dataColumnNames) {
auto dataColumnName = m_manager->getPropertyValue(propName);
auto calcColumnName = dataColumnName + "_calc";
auto column = outputWorkspace->addColumn("double", calcColumnName);
for (size_t row = 0; row < rowCount; ++row) {
auto value = values->getCalculated(i0 + row);
column->fromDouble(row, value);
}
i0 += rowCount;
}
} else {
outputWorkspace = API::WorkspaceFactory::Instance().createTable();
outputWorkspace->setRowCount(rowCount);
size_t i0 = 0;
for (auto &propName : m_dataColumnNames) {
auto calcColumnName = m_manager->getPropertyValue(propName);
if (calcColumnName.empty()) {
calcColumnName = propName;
}
auto column = outputWorkspace->addColumn("double", calcColumnName);
for (size_t row = 0; row < rowCount; ++row) {
auto value = values->getCalculated(i0 + row);
column->fromDouble(row, value);
}
i0 += rowCount;
}
}
if (!outputWorkspacePropertyName.empty()) {
declareProperty(
new API::WorkspaceProperty<API::ITableWorkspace>(
outputWorkspacePropertyName, "", Kernel::Direction::Output),
"Name of the output Workspace holding resulting simulated values");
m_manager->setPropertyValue(outputWorkspacePropertyName,
baseName + "Workspace");
m_manager->setProperty(outputWorkspacePropertyName, outputWorkspace);
}
return outputWorkspace;
}
void GetDetOffsetsMultiPeaks::fitSpectra(const int64_t s, MatrixWorkspace_sptr inputW, const std::vector<double> &peakPositions,
const std::vector<double> &fitWindows, size_t &nparams, double &minD, double &maxD,
std::vector<double>&peakPosToFit, std::vector<double>&peakPosFitted,
std::vector<double> &chisq)
{
const MantidVec & X = inputW->readX(s);
minD = X.front();
maxD = X.back();
bool useFitWindows = (!fitWindows.empty());
std::vector<double> fitWindowsToUse;
for (int i = 0; i < static_cast<int>(peakPositions.size()); ++i)
{
if((peakPositions[i] > minD) && (peakPositions[i] < maxD))
{
peakPosToFit.push_back(peakPositions[i]);
if (useFitWindows)
{
fitWindowsToUse.push_back(std::max(fitWindows[2*i], minD));
fitWindowsToUse.push_back(std::min(fitWindows[2*i+1], maxD));
}
}
}
API::IAlgorithm_sptr findpeaks = createChildAlgorithm("FindPeaks", -1, -1, false);
findpeaks->setProperty("InputWorkspace", inputW);
findpeaks->setProperty<int>("FWHM",7);
findpeaks->setProperty<int>("Tolerance",4);
// FindPeaks will do the checking on the validity of WorkspaceIndex
findpeaks->setProperty("WorkspaceIndex",static_cast<int>(s));
//Get the specified peak positions, which is optional
findpeaks->setProperty("PeakPositions", peakPosToFit);
if (useFitWindows)
findpeaks->setProperty("FitWindows", fitWindowsToUse);
findpeaks->setProperty<std::string>("PeakFunction", m_peakType);
findpeaks->setProperty<std::string>("BackgroundType", m_backType);
findpeaks->setProperty<bool>("HighBackground", this->getProperty("HighBackground"));
findpeaks->setProperty<int>("MinGuessedPeakWidth",4);
findpeaks->setProperty<int>("MaxGuessedPeakWidth",4);
findpeaks->executeAsChildAlg();
ITableWorkspace_sptr peakslist = findpeaks->getProperty("PeaksList");
std::vector<size_t> banned;
std::vector<double> peakWidFitted;
std::vector<double> peakHighFitted;
std::vector<double> peakBackground;
for (size_t i = 0; i < peakslist->rowCount(); ++i)
{
// peak value
double centre = peakslist->getRef<double>("centre",i);
double width = peakslist->getRef<double>("width",i);
double height = peakslist->getRef<double>("height", i);
// background value
double back_intercept = peakslist->getRef<double>("backgroundintercept", i);
double back_slope = peakslist->getRef<double>("backgroundslope", i);
double back_quad = peakslist->getRef<double>("A2", i);
double background = back_intercept + back_slope * centre
+ back_quad * centre * centre;
// goodness of fit
double chi2 = peakslist->getRef<double>("chi2",i);
// Get references to the data
peakPosFitted.push_back(centre);
peakWidFitted.push_back(width);
peakHighFitted.push_back(height);
peakBackground.push_back(background);
chisq.push_back(chi2);
}
// first remove things that just didn't fit (center outside of window, bad chisq, ...)
for (size_t i = 0; i < peakslist->rowCount(); ++i)
{
if (peakPosFitted[i] <= minD || peakPosFitted[i] >= maxD)
{
banned.push_back(i);
continue;
}
else if (useFitWindows) // be more restrictive if fit windows were specified
{
if (peakPosFitted[i] <= fitWindowsToUse[2*i]
|| peakPosFitted[i] >= fitWindowsToUse[2*i+1])
{
banned.push_back(i);
continue;
}
}
if (chisq[i] > m_maxChiSq)
{
banned.push_back(i);
continue;
}
}
// delete banned peaks
g_log.debug() << "Deleting " << banned.size() << " of " << peakPosFitted.size()
<< " peaks in wkspindex = " << s << "\n";
deletePeaks(banned, peakPosToFit, peakPosFitted,
peakWidFitted, peakHighFitted, peakBackground,
chisq);
// ban peaks that are low intensity compared to their widths
for (size_t i = 0; i < peakWidFitted.size(); ++i)
{
if (peakHighFitted[i] * FWHM_TO_SIGMA / peakWidFitted[i] < 5.)
{
g_log.debug() << "Banning peak at " << peakPosFitted[i] << " in wkspindex = " << s
<< " I/sigma = " << (peakHighFitted[i] * FWHM_TO_SIGMA / peakWidFitted[i]) << "\n";
banned.push_back(i);
continue;
}
}
// delete banned peaks
g_log.debug() << "Deleting " << banned.size() << " of " << peakPosFitted.size()
<< " peaks in wkspindex = " << s << "\n";
deletePeaks(banned, peakPosToFit, peakPosFitted,
peakWidFitted, peakHighFitted, peakBackground,
chisq);
// determine the (z-value) for constant "width" - (delta d)/d
std::vector<double> widthDivPos(peakWidFitted.size(), 0.); // DELETEME
for (size_t i = 0; i < peakWidFitted.size(); ++i)
{
widthDivPos[i] = peakWidFitted[i] / peakPosFitted[i]; // DELETEME
}
std::vector<double> Zscore = getZscore(widthDivPos);
for (size_t i = 0; i < peakWidFitted.size(); ++i)
{
if (Zscore[i] > 2.0)
{
g_log.debug() << "Banning peak at " << peakPosFitted[i] << " in wkspindex = " << s
<< " sigma/d = " << widthDivPos[i] << "\n";
banned.push_back(i);
continue;
}
}
// delete banned peaks
g_log.debug() << "Deleting " << banned.size() << " of " << peakPosFitted.size()
<< " peaks in wkspindex = " << s << "\n";
deletePeaks(banned, peakPosToFit, peakPosFitted,
peakWidFitted, peakHighFitted, peakBackground,
chisq);
// ban peaks that are not outside of error bars for the background
for (size_t i = 0; i < peakWidFitted.size(); ++i)
{
if (peakHighFitted[i] < 0.5 * std::sqrt(peakHighFitted[i] + peakBackground[i]))
{
g_log.debug() << "Banning peak at " << peakPosFitted[i] << " in wkspindex = " << s
<< " " << peakHighFitted[i] << " < "
<< 0.5 * std::sqrt(peakHighFitted[i] + peakBackground[i]) << "\n";
banned.push_back(i);
continue;
}
}
// delete banned peaks
g_log.debug() << "Deleting " << banned.size() << " of " << peakPosFitted.size()
<< " peaks in wkspindex = " << s << "\n";
deletePeaks(banned, peakPosToFit, peakPosFitted,
peakWidFitted, peakHighFitted, peakBackground,
chisq);
nparams = peakPosFitted.size();
return;
}