/**
* Determine the minimum and maximum spectra ids.
*
* @param axis The axis to search through.
* @param min The minimum id (output).
* @param max The maximum id (output).
*/
void getMinMax(MatrixWorkspace_const_sptr ws, specid_t& min, specid_t& max)
{
specid_t temp;
size_t length = ws->getNumberHistograms();
// initial values
min = max = ws->getSpectrum(0)->getSpectrumNo();
for (size_t i = 0; i < length; i++)
{
temp = ws->getSpectrum(i)->getSpectrumNo();
// Adjust min/max
if (temp < min)
min = temp;
if (temp > max)
max = temp;
}
}
/** Initialise a workspace from its parent
* This sets values such as title, instrument, units, sample, spectramap.
* This does NOT copy any data.
*
* @param parent :: the parent workspace
* @param child :: the child workspace
* @param differentSize :: A flag to indicate if the two workspace will be different sizes
*/
void WorkspaceFactoryImpl::initializeFromParent(const MatrixWorkspace_const_sptr parent,
const MatrixWorkspace_sptr child, const bool differentSize) const
{
child->setTitle(parent->getTitle());
child->setComment(parent->getComment());
child->setInstrument(parent->getInstrument()); // This call also copies the SHARED POINTER to the parameter map
// This call will (should) perform a COPY of the parameter map.
child->instrumentParameters();
child->m_sample = parent->m_sample;
child->m_run = parent->m_run;
child->setYUnit(parent->m_YUnit);
child->setYUnitLabel(parent->m_YUnitLabel);
child->isDistribution(parent->isDistribution());
// Only copy the axes over if new sizes are not given
if ( !differentSize )
{
// Only copy mask map if same size for now. Later will need to check continued validity.
child->m_masks = parent->m_masks;
}
// Same number of histograms = copy over the spectra data
if (parent->getNumberHistograms() == child->getNumberHistograms())
{
for (size_t wi=0; wi<parent->getNumberHistograms(); wi++)
{
ISpectrum * childSpec = child->getSpectrum(wi);
const ISpectrum * parentSpec = parent->getSpectrum(wi);
// Copy spectrum number and detector IDs
childSpec->copyInfoFrom(*parentSpec);
}
}
// deal with axis
for (size_t i = 0; i < parent->m_axes.size(); ++i)
{
const size_t newAxisLength = child->getAxis(i)->length();
const size_t oldAxisLength = parent->getAxis(i)->length();
if ( !differentSize || newAxisLength == oldAxisLength )
{
// Need to delete the existing axis created in init above
delete child->m_axes[i];
// Now set to a copy of the parent workspace's axis
child->m_axes[i] = parent->m_axes[i]->clone(child.get());
}
else
{
if (! parent->getAxis(i)->isSpectra()) // WHY???
{
delete child->m_axes[i];
// Call the 'different length' clone variant
child->m_axes[i] = parent->m_axes[i]->clone(newAxisLength,child.get());
}
}
}
return;
}
/**
* Execute the algorithm
*/
void ExtractMasking::exec()
{
MatrixWorkspace_const_sptr inputWS = getProperty("InputWorkspace");
const int nHist = static_cast<int>(inputWS->getNumberHistograms());
const int xLength(1), yLength(1);
// Create a new workspace for the results, copy from the input to ensure that we copy over the instrument and current masking
MatrixWorkspace_sptr outputWS = WorkspaceFactory::Instance().create(inputWS, nHist, xLength, yLength);
Progress prog(this,0.0,1.0,nHist);
MantidVecPtr xValues;
xValues.access() = MantidVec(1, 0.0);
PARALLEL_FOR2(inputWS, outputWS)
for( int i = 0; i < nHist; ++i )
{
PARALLEL_START_INTERUPT_REGION
// Spectrum in the output workspace
ISpectrum * outSpec = outputWS->getSpectrum(i);
// Spectrum in the input workspace
const ISpectrum * inSpec = inputWS->getSpectrum(i);
// Copy X, spectrum number and detector IDs
outSpec->setX(xValues);
outSpec->copyInfoFrom(*inSpec);
IDetector_const_sptr inputDet;
bool inputIsMasked(false);
try
{
inputDet = inputWS->getDetector(i);
if( inputDet->isMasked() )
{
inputIsMasked = true;
}
}
catch(Kernel::Exception::NotFoundError &)
{
inputIsMasked = false;
}
if( inputIsMasked )
{
outSpec->dataY()[0] = 0.0;
outSpec->dataE()[0] = 0.0;
}
else
{
outSpec->dataY()[0] = 1.0;
outSpec->dataE()[0] = 1.0;
}
prog.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
setProperty("OutputWorkspace", outputWS);
}
/**
* Determine the minimum spectrum id for summing. This requires that
* SumSpectra::indices has already been set.
* @param localworkspace The workspace to use.
* @return The minimum spectrum id for all the spectra being summed.
*/
specid_t
SumSpectra::getOutputSpecId(MatrixWorkspace_const_sptr localworkspace) {
// initial value
specid_t specId =
localworkspace->getSpectrum(*(this->m_indices.begin()))->getSpectrumNo();
// the total number of spectra
int totalSpec = static_cast<int>(localworkspace->getNumberHistograms());
specid_t temp;
for (auto index : this->m_indices) {
if (index < totalSpec) {
temp = localworkspace->getSpectrum(index)->getSpectrumNo();
if (temp < specId)
specId = temp;
}
}
return specId;
}
void ConvertToMatrixWorkspace::exec()
{
MatrixWorkspace_const_sptr inputWorkspace = getProperty("InputWorkspace");
// Let's see if we have to do anything first. Basically we want to avoid the data copy if we can
DataObjects::EventWorkspace_const_sptr eventW =
boost::dynamic_pointer_cast<const DataObjects::EventWorkspace>(inputWorkspace);
MatrixWorkspace_sptr outputWorkspace;
if( eventW )
{
g_log.information() << "Converting EventWorkspace to Workspace2D.\n";
const size_t numHists = inputWorkspace->getNumberHistograms();
Progress prog(this,0.0,1.0,numHists*2);
// Sort the input workspace in-place by TOF. This can be faster if there are few event lists.
eventW->sortAll(TOF_SORT, &prog);
// Create the output workspace. This will copy many aspects fron the input one.
outputWorkspace = WorkspaceFactory::Instance().create(inputWorkspace);
// ...but not the data, so do that here.
PARALLEL_FOR2(inputWorkspace,outputWorkspace)
for (int64_t i = 0; i < (int64_t)numHists; ++i)
{
PARALLEL_START_INTERUPT_REGION
const ISpectrum * inSpec = inputWorkspace->getSpectrum(i);
ISpectrum * outSpec = outputWorkspace->getSpectrum(i);
outSpec->copyInfoFrom(*inSpec);
outSpec->setX(inSpec->ptrX());
outSpec->dataY() = inSpec->dataY();
outSpec->dataE() = inSpec->dataE();
prog.report("Binning");
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
outputWorkspace->generateSpectraMap();
}
else
{
/** Executes the algorithm
*
* @throw runtime_error Thrown if algorithm cannot execute
*/
void MaxMin::exec()
{
// Try and retrieve the optional properties
m_MinRange = getProperty("RangeLower");
m_MaxRange = getProperty("RangeUpper");
m_MinSpec = getProperty("StartWorkspaceIndex");
m_MaxSpec = getProperty("EndWorkspaceIndex");
showMin = getProperty("ShowMin");
// Get the input workspace
MatrixWorkspace_const_sptr localworkspace = getProperty("InputWorkspace");
const int numberOfSpectra = static_cast<int>(localworkspace->getNumberHistograms());
// Check 'StartSpectrum' is in range 0-numberOfSpectra
if ( m_MinSpec > numberOfSpectra )
{
g_log.warning("StartSpectrum out of range! Set to 0.");
m_MinSpec = 0;
}
if ( isEmpty(m_MaxSpec) ) m_MaxSpec = numberOfSpectra-1;
if ( m_MaxSpec > numberOfSpectra-1 || m_MaxSpec < m_MinSpec )
{
g_log.warning("EndSpectrum out of range! Set to max detector number");
m_MaxSpec = numberOfSpectra;
}
if ( m_MinRange > m_MaxRange )
{
g_log.warning("Range_upper is less than Range_lower. Will integrate up to frame maximum.");
m_MaxRange = 0.0;
}
// Create the 1D workspace for the output
MatrixWorkspace_sptr outputWorkspace = API::WorkspaceFactory::Instance().create(localworkspace,m_MaxSpec-m_MinSpec+1,2,1);
Progress progress(this,0,1,(m_MaxSpec-m_MinSpec+1));
PARALLEL_FOR2(localworkspace,outputWorkspace)
// Loop over spectra
for (int i = m_MinSpec; i <= m_MaxSpec; ++i)
{
PARALLEL_START_INTERUPT_REGION
int newindex=i-m_MinSpec;
// Copy over spectrum and detector number info
outputWorkspace->getSpectrum(newindex)->copyInfoFrom(*localworkspace->getSpectrum(i));
// Retrieve the spectrum into a vector
const MantidVec& X = localworkspace->readX(i);
const MantidVec& Y = localworkspace->readY(i);
// Find the range [min,max]
MantidVec::const_iterator lowit, highit;
if (m_MinRange == EMPTY_DBL()) lowit=X.begin();
else lowit=std::lower_bound(X.begin(),X.end(),m_MinRange);
if (m_MaxRange == EMPTY_DBL()) highit=X.end();
else highit=std::find_if(lowit,X.end(),std::bind2nd(std::greater<double>(),m_MaxRange));
// If range specified doesn't overlap with this spectrum then bail out
if ( lowit == X.end() || highit == X.begin() ) continue;
--highit; // Upper limit is the bin before, i.e. the last value smaller than MaxRange
MantidVec::difference_type distmin=std::distance(X.begin(),lowit);
MantidVec::difference_type distmax=std::distance(X.begin(),highit);
MantidVec::const_iterator maxY;
// Find the max/min element
if (showMin==true)
{
maxY=std::min_element(Y.begin()+distmin,Y.begin()+distmax);
}
else
{
maxY=std::max_element(Y.begin()+distmin,Y.begin()+distmax);
}
MantidVec::difference_type d=std::distance(Y.begin(),maxY);
// X boundaries for the max/min element
outputWorkspace->dataX(newindex)[0]=*(X.begin()+d);
outputWorkspace->dataX(newindex)[1]=*(X.begin()+d+1); //This is safe since X is of dimension Y+1
outputWorkspace->dataY(newindex)[0]=*maxY;
progress.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// Assign it to the output workspace property
setProperty("OutputWorkspace",outputWorkspace);
return;
}
/**
* This function deals with the logic necessary for summing a Workspace2D.
* @param localworkspace The input workspace for summing.
* @param outSpec The spectrum for the summed output.
* @param progress The progress indicator.
* @param numSpectra The number of spectra contributed to the sum.
* @param numMasked The spectra dropped from the summations because they are
* masked.
* @param numZeros The number of zero bins in histogram workspace or empty
* spectra for event workspace.
*/
void SumSpectra::doWorkspace2D(MatrixWorkspace_const_sptr localworkspace,
ISpectrum *outSpec, Progress &progress,
size_t &numSpectra, size_t &numMasked,
size_t &numZeros) {
// Get references to the output workspaces's data vectors
MantidVec &YSum = outSpec->dataY();
MantidVec &YError = outSpec->dataE();
MantidVec Weight;
std::vector<size_t> nZeros;
if (m_calculateWeightedSum) {
Weight.assign(YSum.size(), 0);
nZeros.assign(YSum.size(), 0);
}
numSpectra = 0;
numMasked = 0;
numZeros = 0;
// Loop over spectra
std::set<int>::iterator it;
// for (int i = m_minSpec; i <= m_maxSpec; ++i)
for (it = this->m_indices.begin(); it != this->m_indices.end(); ++it) {
int i = *it;
// Don't go outside the range.
if ((i >= this->m_numberOfSpectra) || (i < 0)) {
g_log.error() << "Invalid index " << i
<< " was specified. Sum was aborted.\n";
break;
}
try {
// Get the detector object for this spectrum
Geometry::IDetector_const_sptr det = localworkspace->getDetector(i);
// Skip monitors, if the property is set to do so
if (!m_keepMonitors && det->isMonitor())
continue;
// Skip masked detectors
if (det->isMasked()) {
numMasked++;
continue;
}
} catch (...) {
// if the detector not found just carry on
}
numSpectra++;
// Retrieve the spectrum into a vector
const MantidVec &YValues = localworkspace->readY(i);
const MantidVec &YErrors = localworkspace->readE(i);
if (m_calculateWeightedSum) {
for (int k = 0; k < this->m_yLength; ++k) {
if (YErrors[k] != 0) {
double errsq = YErrors[k] * YErrors[k];
YError[k] += errsq;
Weight[k] += 1. / errsq;
YSum[k] += YValues[k] / errsq;
} else {
nZeros[k]++;
}
}
} else {
for (int k = 0; k < this->m_yLength; ++k) {
YSum[k] += YValues[k];
YError[k] += YErrors[k] * YErrors[k];
}
}
// Map all the detectors onto the spectrum of the output
outSpec->addDetectorIDs(localworkspace->getSpectrum(i)->getDetectorIDs());
progress.report();
}
if (m_calculateWeightedSum) {
numZeros = 0;
for (size_t i = 0; i < Weight.size(); i++) {
if (nZeros[i] == 0)
YSum[i] *= double(numSpectra) / Weight[i];
else
numZeros += nZeros[i];
}
}
}
