/**
* @brief IntegratePeaksCWSD::simplePeakIntegration
* Purpose:
* Integrate a single crystal peak with the simplest algorithm, i.e.,
* by adding all the signal with normalization to monitor counts
* Requirements:
* Valid MDEventWorkspace
* Valid PeaksWorkspace
* Guarantees:
* A valid value is given
*/
void IntegratePeaksCWSD::simplePeakIntegration(
const std::vector<detid_t> &vecMaskedDetID,
const std::map<int, signal_t> &run_monitor_map) {
// Check requirements
if (!m_inputWS)
throw std::runtime_error("MDEventWorkspace is not defined.");
// Go through to get value
auto mditer = m_inputWS->createIterator();
size_t nextindex = 1;
bool scancell = true;
// size_t currindex = 0;
// Assuming that MDEvents are grouped by run number, there is no need to
// loop up the map for peak center and monitor counts each time
int current_run_number = -1;
signal_t current_monitor_counts = 0;
Kernel::V3D current_peak_center = m_peakCenter;
// signal_t total_signal = 0;
double min_distance = 10000000;
double max_distance = -1;
while (scancell) {
// Go through all the MDEvents in one cell.
size_t numeventincell = mditer->getNumEvents();
for (size_t iev = 0; iev < numeventincell; ++iev) {
// Get signal to add and skip if signal is zero
signal_t signal = mditer->getInnerSignal(iev);
if (signal <= THRESHOLD_SIGNAL)
continue;
uint16_t run_number = mditer->getInnerRunIndex(iev);
int run_number_i = static_cast<int>(run_number);
/* debug: record raw signals
if (run_number_i % 1000 == testrunnumber)
{
total_signal += signal;
++ num_det;
}
// ... debug */
// Check whether this detector is masked
if (!vecMaskedDetID.empty()) {
detid_t detid = mditer->getInnerDetectorID(iev);
std::vector<detid_t>::const_iterator it;
it = find(vecMaskedDetID.begin(), vecMaskedDetID.end(), detid);
if (it != vecMaskedDetID.end()) {
// The detector ID is found among masked detector IDs
// Skip this event and move to next
/* debug: record masked detectors
if (run_number_i % 1000 == testrunnumber)
{
num_masked_det += 1;
g_log.warning() << "Masked detector ID = " << detid << ", Signal = "
<< signal << "\n";
}
// ... debug */
continue;
}
}
/* debug: record unmasked detectors
if (run_number_i % 1000 == testrunnumber)
num_unmasked_det += 1;
// ... debug */
// Check whether to update monitor counts and peak center
if (current_run_number != run_number_i) {
// update run number
current_run_number = run_number_i;
// update monitor counts
if (m_normalizeByMonitor) {
std::map<int, signal_t>::const_iterator m_finder =
run_monitor_map.find(current_run_number);
if (m_finder != run_monitor_map.end())
current_monitor_counts = m_finder->second;
else {
std::stringstream errss;
errss << "Unable to find run number " << current_run_number
<< " in monitor counts map";
throw std::runtime_error(errss.str());
}
} else {
current_monitor_counts = 1.;
}
// update peak center
if (!m_useSinglePeakCenterFmUser)
current_peak_center = m_runPeakCenterMap[current_run_number];
}
// calculate distance
float tempx = mditer->getInnerPosition(iev, 0);
float tempy = mditer->getInnerPosition(iev, 1);
float tempz = mditer->getInnerPosition(iev, 2);
Kernel::V3D pixel_pos(tempx, tempy, tempz);
double distance = current_peak_center.distance(pixel_pos);
/* debug: record unmasked signal
if (run_number_i % 1000 == testrunnumber)
{
total_unmasked_signal += signal;
}
// ... debug */
if (distance < m_peakRadius) {
// FIXME - Is it very costly to use map each time???
// total_signal += signal/current_monitor_counts;
m_runPeakCountsMap[run_number] += signal / current_monitor_counts;
} else {
g_log.debug() << "Out of radius " << distance << " > " << m_peakRadius
<< ": Center = " << current_peak_center.toString()
<< ", Pixel = " << pixel_pos.toString() << "\n";
}
if (distance < min_distance)
min_distance = distance;
if (distance > max_distance)
max_distance = distance;
}
// Advance to next cell
if (mditer->next()) {
// advance to next cell
mditer->jumpTo(nextindex);
++nextindex;
} else {
// break the loop
scancell = false;
}
} // END-WHILE (scan-cell)
// Summarize
g_log.notice() << "Distance range is " << min_distance << ", " << max_distance
<< "\n";
/*
g_log.warning() << "Debug output: run 13: Number masked detectors = " <<
num_masked_det
<< ", Total signal = " << total_signal << "\n";
g_log.warning() << " Number of unmasked detectors = " << num_unmasked_det
<< ", Total unmasked signal = " << total_unmasked_signal <<
"\n";
g_log.warning() << " Number of total detectors = " << num_det << "\n";
*/
}
/**
* Create an output event workspace filled with data simulated with the fitting
* function.
* @param baseName :: The base name for the workspace
* @param inputWorkspace :: The input workspace.
* @param values :: The calculated values
* @param outputWorkspacePropertyName :: The property name
*/
boost::shared_ptr<API::Workspace> FitMD::createEventOutputWorkspace(
const std::string &baseName, const API::IMDEventWorkspace &inputWorkspace,
const API::FunctionValues &values,
const std::string &outputWorkspacePropertyName) {
auto outputWS =
MDEventFactory::CreateMDWorkspace(inputWorkspace.getNumDims(), "MDEvent");
// Add events
// TODO: Generalize to ND (the current framework is a bit limiting)
auto mdWS = boost::dynamic_pointer_cast<
DataObjects::MDEventWorkspace<DataObjects::MDEvent<4>, 4>>(outputWS);
if (!mdWS) {
return boost::shared_ptr<API::Workspace>();
}
// Bins extents and meta data
for (size_t i = 0; i < 4; ++i) {
boost::shared_ptr<const Geometry::IMDDimension> inputDim =
inputWorkspace.getDimension(i);
Geometry::MDHistoDimensionBuilder builder;
builder.setName(inputDim->getName());
builder.setId(inputDim->getDimensionId());
builder.setUnits(inputDim->getUnits());
builder.setNumBins(inputDim->getNBins());
builder.setMin(inputDim->getMinimum());
builder.setMax(inputDim->getMaximum());
builder.setFrameName(inputDim->getMDFrame().name());
outputWS->addDimension(builder.create());
}
// Run information
outputWS->copyExperimentInfos(inputWorkspace);
// Coordinates
outputWS->setCoordinateSystem(inputWorkspace.getSpecialCoordinateSystem());
// Set sensible defaults for splitting behaviour
BoxController_sptr bc = outputWS->getBoxController();
bc->setSplitInto(3);
bc->setSplitThreshold(3000);
outputWS->initialize();
outputWS->splitBox();
auto inputIter = inputWorkspace.createIterator();
size_t resultValueIndex(0);
const float errorSq = 0.0;
do {
const size_t numEvents = inputIter->getNumEvents();
const float signal =
static_cast<float>(values.getCalculated(resultValueIndex));
for (size_t i = 0; i < numEvents; ++i) {
coord_t centers[4] = {
inputIter->getInnerPosition(i, 0), inputIter->getInnerPosition(i, 1),
inputIter->getInnerPosition(i, 2), inputIter->getInnerPosition(i, 3)};
mdWS->addEvent(MDEvent<4>(signal, errorSq, inputIter->getInnerRunIndex(i),
inputIter->getInnerDetectorID(i), centers));
}
++resultValueIndex;
} while (inputIter->next());
delete inputIter;
// This splits up all the boxes according to split thresholds and sizes.
auto threadScheduler = new Kernel::ThreadSchedulerFIFO();
Kernel::ThreadPool threadPool(threadScheduler);
outputWS->splitAllIfNeeded(threadScheduler);
threadPool.joinAll();
outputWS->refreshCache();
// Store it
if (!outputWorkspacePropertyName.empty()) {
declareProperty(
new API::WorkspaceProperty<API::IMDEventWorkspace>(
outputWorkspacePropertyName, "", Direction::Output),
"Name of the output Workspace holding resulting simulated spectrum");
m_manager->setPropertyValue(outputWorkspacePropertyName,
baseName + "Workspace");
m_manager->setProperty(outputWorkspacePropertyName, outputWS);
}
return outputWS;
}
