/**
Reduce the peak list by removing duplicates
then convert SXPeaks objects to PeakObjects and add them to the output workspace
@param pcv : current peak list containing potential duplicates
*/
void FindSXPeaks::reducePeakList(const peakvector &pcv) {
double resol = getProperty("Resolution");
peakvector finalv;
bool found = false;
for (std::size_t i = 0; i < pcv.size(); i++) {
for (std::size_t j = 0; j < finalv.size(); j++) {
if (pcv[i].compare(finalv[j], resol)) {
finalv[j] += pcv[i];
found = true;
break;
}
}
if (!found)
finalv.push_back(pcv[i]);
found = false;
}
for (std::size_t i = 0; i < finalv.size(); i++) {
finalv[i].reduce();
try {
Geometry::IPeak *peak = m_peaks->createPeak(finalv[i].getQ());
if (peak) {
peak->setIntensity(finalv[i].getIntensity());
peak->setDetectorID(finalv[i].getDetectorId());
m_peaks->addPeak(*peak);
delete peak;
}
} catch (std::exception &e) {
g_log.error() << e.what() << std::endl;
}
}
}
/**
Reduce the peak list by removing duplicates
then convert SXPeaks objects to PeakObjects and add them to the output workspace
@param pcv : current peak list containing potential duplicates
*/
void FindSXPeaks::reducePeakList(const peakvector &pcv) {
double resol = getProperty("Resolution");
peakvector finalv;
for (const auto ¤tPeak : pcv) {
auto pos = std::find_if(finalv.begin(), finalv.end(),
[¤tPeak, resol](SXPeak &peak) {
bool result = currentPeak.compare(peak, resol);
if (result)
peak += currentPeak;
return result;
});
if (pos == finalv.end())
finalv.push_back(currentPeak);
}
for (auto &finalPeak : finalv) {
finalPeak.reduce();
try {
Geometry::IPeak *peak = m_peaks->createPeak(finalPeak.getQ());
if (peak) {
peak->setIntensity(finalPeak.getIntensity());
peak->setDetectorID(finalPeak.getDetectorId());
m_peaks->addPeak(*peak);
delete peak;
}
} catch (std::exception &e) {
g_log.error() << e.what() << '\n';
}
}
}
/// Creates a LatticeDomain from an IPeaksWorkspace, using HKL and d-values.
void LatticeDomainCreator::createDomainFromPeaksWorkspace(
const API::IPeaksWorkspace_sptr &workspace,
boost::shared_ptr<API::FunctionDomain> &domain,
boost::shared_ptr<API::FunctionValues> &values, size_t i0) {
if (!workspace) {
throw std::invalid_argument(
"This function only works on an IPeaksWorkspace-object.");
}
size_t peakCount = workspace->getNumberPeaks();
if (peakCount < 1) {
throw std::range_error("Cannot create a domain for 0 peaks.");
}
std::vector<V3D> hkls;
hkls.reserve(peakCount);
std::vector<double> dSpacings;
dSpacings.reserve(peakCount);
for (size_t i = 0; i < peakCount; ++i) {
Geometry::IPeak *currentPeak = workspace->getPeakPtr(static_cast<int>(i));
V3D hkl = currentPeak->getHKL();
if (hkl != V3D(0, 0, 0)) {
hkls.push_back(hkl);
dSpacings.push_back(currentPeak->getDSpacing());
}
}
auto latticeDomain = new LatticeDomain(hkls);
domain.reset(latticeDomain);
if (!values) {
auto functionValues = new FunctionValues(*domain);
values.reset(functionValues);
} else {
values->expand(i0 + latticeDomain->size());
}
values->setFitData(dSpacings);
// Set unit weights.
values->setFitWeights(1.0);
}
/**
Reduce the peak list by removing duplicates
then convert SXPeaks objects to PeakObjects and add them to the output workspace
@param pcv : current peak list containing potential duplicates
@param progress: a progress object
*/
void FindSXPeaks::reducePeakList(const peakvector &pcv, Progress &progress) {
MatrixWorkspace_const_sptr localworkspace = getProperty("InputWorkspace");
auto &goniometerMatrix = localworkspace->run().getGoniometer().getR();
auto compareStrategy = getCompareStrategy();
auto reductionStrategy = getReducePeakListStrategy(compareStrategy.get());
auto finalv = reductionStrategy->reduce(pcv, progress);
for (auto &finalPeak : finalv) {
finalPeak.reduce();
try {
Geometry::IPeak *peak = m_peaks->createPeak(finalPeak.getQ());
if (peak) {
peak->setIntensity(finalPeak.getIntensity());
peak->setDetectorID(finalPeak.getDetectorId());
peak->setGoniometerMatrix(goniometerMatrix);
m_peaks->addPeak(*peak);
delete peak;
}
} catch (std::exception &e) {
g_log.error() << e.what() << '\n';
}
}
}
Peak PeakHKLErrors::createNewPeak(const Geometry::IPeak &peak_old,
Geometry::Instrument_sptr instrNew, double T0,
double L0) {
Geometry::Instrument_const_sptr inst = peak_old.getInstrument();
if (inst->getComponentID() != instrNew->getComponentID()) {
g_log.error("All peaks must have the same instrument");
throw std::invalid_argument("All peaks must have the same instrument");
}
double T = peak_old.getTOF() + T0;
int ID = peak_old.getDetectorID();
Kernel::V3D hkl = peak_old.getHKL();
// peak_old.setDetectorID(ID); //set det positions
Peak peak(instrNew, ID, peak_old.getWavelength(), hkl,
peak_old.getGoniometerMatrix());
Wavelength wl;
wl.initialize(L0, peak.getL2(), peak.getScattering(), 0,
peak_old.getInitialEnergy(), 0.0);
peak.setWavelength(wl.singleFromTOF(T));
peak.setIntensity(peak_old.getIntensity());
peak.setSigmaIntensity(peak_old.getSigmaIntensity());
peak.setRunNumber(peak_old.getRunNumber());
peak.setBinCount(peak_old.getBinCount());
//!!!peak.setDetectorID(ID);
return peak;
}
