/**
* Computed the normalization for the input workspace. Results are stored in
* m_normWS
* @param otherValues
* @param affineTrans
*/
void MDNormDirectSC::calculateNormalization(
const std::vector<coord_t> &otherValues,
const Kernel::Matrix<coord_t> &affineTrans) {
constexpr double energyToK = 8.0 * M_PI * M_PI *
PhysicalConstants::NeutronMass *
PhysicalConstants::meV * 1e-20 /
(PhysicalConstants::h * PhysicalConstants::h);
const auto &exptInfoZero = *(m_inputWS->getExperimentInfo(0));
typedef Kernel::PropertyWithValue<std::vector<double>> VectorDoubleProperty;
auto *rubwLog =
dynamic_cast<VectorDoubleProperty *>(exptInfoZero.getLog("RUBW_MATRIX"));
if (!rubwLog) {
throw std::runtime_error(
"Wokspace does not contain a log entry for the RUBW matrix."
"Cannot continue.");
} else {
Kernel::DblMatrix rubwValue(
(*rubwLog)()); // includes the 2*pi factor but not goniometer for now :)
m_rubw = exptInfoZero.run().getGoniometerMatrix() * rubwValue;
m_rubw.Invert();
}
const double protonCharge = exptInfoZero.run().getProtonCharge();
auto instrument = exptInfoZero.getInstrument();
std::vector<detid_t> detIDs = instrument->getDetectorIDs(true);
// Prune out those that are part of a group and simply leave the head of the
// group
detIDs = removeGroupedIDs(exptInfoZero, detIDs);
// Mapping
const int64_t ndets = static_cast<int64_t>(detIDs.size());
bool haveSA = false;
API::MatrixWorkspace_const_sptr solidAngleWS =
getProperty("SolidAngleWorkspace");
detid2index_map solidAngDetToIdx;
if (solidAngleWS != nullptr) {
haveSA = true;
solidAngDetToIdx = solidAngleWS->getDetectorIDToWorkspaceIndexMap();
}
auto prog = make_unique<API::Progress>(this, 0.3, 1.0, ndets);
PARALLEL_FOR_NO_WSP_CHECK()
for (int64_t i = 0; i < ndets; i++) {
PARALLEL_START_INTERUPT_REGION
const auto detID = detIDs[i];
double theta(0.0), phi(0.0);
bool skip(false);
try {
auto spectrum = getThetaPhi(detID, exptInfoZero, theta, phi);
if (spectrum->isMonitor() || spectrum->isMasked())
continue;
} catch (
std::exception &) // detector might not exist or has no been included
// in grouping
{
skip = true; // Intel compiler has a problem with continue inside a catch
// inside openmp...
}
if (skip)
continue;
// Intersections
auto intersections = calculateIntersections(theta, phi);
if (intersections.empty())
continue;
// Get solid angle for this contribution
double solid = protonCharge;
if (haveSA) {
solid = solidAngleWS->readY(solidAngDetToIdx.find(detID)->second)[0] *
protonCharge;
}
// Compute final position in HKL
const size_t vmdDims = intersections.front().size();
// pre-allocate for efficiency and copy non-hkl dim values into place
std::vector<coord_t> pos(vmdDims + otherValues.size() + 1);
std::copy(otherValues.begin(), otherValues.end(), pos.begin() + vmdDims);
pos.push_back(1.);
auto intersectionsBegin = intersections.begin();
for (auto it = intersectionsBegin + 1; it != intersections.end(); ++it) {
const auto &curIntSec = *it;
const auto &prevIntSec = *(it - 1);
// the full vector isn't used so compute only what is necessary
double delta =
(curIntSec[3] * curIntSec[3] - prevIntSec[3] * prevIntSec[3]) /
energyToK;
if (delta < 1e-10)
continue; // Assume zero contribution if difference is small
// Average between two intersections for final position
std::transform(curIntSec.getBareArray(),
curIntSec.getBareArray() + vmdDims,
prevIntSec.getBareArray(), pos.begin(),
VectorHelper::SimpleAverage<coord_t>());
// transform kf to energy transfer
pos[3] = static_cast<coord_t>(m_Ei - pos[3] * pos[3] / energyToK);
std::vector<coord_t> posNew = affineTrans * pos;
size_t linIndex = m_normWS->getLinearIndexAtCoord(posNew.data());
if (linIndex == size_t(-1))
continue;
// signal = integral between two consecutive intersections *solid angle
// *PC
double signal = solid * delta;
PARALLEL_CRITICAL(updateMD) {
signal += m_normWS->getSignalAt(linIndex);
m_normWS->setSignalAt(linIndex, signal);
}
}
prog->report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
}
/** Get groupings from XML file
* @param fname :: the full path name of the file to open
* @param workspace :: a pointer to the input workspace, used to get spectra indexes from numbers
* @param unUsedSpec :: the list of spectra indexes that have been included in a group (so far)
* @throw FileError if there's any problem with the file or its format
*/
void GroupDetectors2::processXMLFile(std::string fname,
API::MatrixWorkspace_const_sptr workspace, std::vector<int64_t> &unUsedSpec)
{
// 1. Get maps for spectrum ID and detector ID
spec2index_map specs2index;
const SpectraAxis* axis = dynamic_cast<const SpectraAxis*>(workspace->getAxis(1));
if (axis)
{
axis->getSpectraIndexMap(specs2index);
}
detid2index_map* detIdToWiMap = workspace->getDetectorIDToWorkspaceIndexMap(false);
// 2. Load XML file
DataHandling::LoadGroupXMLFile loader;
loader.setDefaultStartingGroupID(0);
loader.loadXMLFile(fname);
std::map<int, std::vector<detid_t> > mGroupDetectorsMap = loader.getGroupDetectorsMap();
std::map<int, std::vector<int> > mGroupSpectraMap = loader.getGroupSpectraMap();
// 3. Build m_GroupSpecInds
std::map<int, std::vector<detid_t> >::iterator dit;
for (dit = mGroupDetectorsMap.begin(); dit != mGroupDetectorsMap.end(); ++ dit)
{
int groupid = dit->first;
std::vector<size_t> tempv;
m_GroupSpecInds.insert(std::make_pair(groupid, tempv));
}
// 4. Detector IDs
for (dit = mGroupDetectorsMap.begin(); dit != mGroupDetectorsMap.end(); ++ dit)
{
int groupid = dit->first;
std::vector<detid_t> detids = dit->second;
storage_map::iterator sit;
sit = m_GroupSpecInds.find(groupid);
if (sit == m_GroupSpecInds.end())
continue;
std::vector<size_t>& wsindexes = sit->second;
for (size_t i = 0; i < detids.size(); i++)
{
detid_t detid = detids[i];
detid2index_map::iterator ind =detIdToWiMap->find(detid);
if ( ind != detIdToWiMap->end() )
{
size_t wsid = ind->second;
wsindexes.push_back(wsid);
if ( unUsedSpec[wsid] != ( 1000 - INT_MAX ) )
{
unUsedSpec[wsid] = ( 1000 - INT_MAX );
}
}
else
{
g_log.error() << "Detector with ID " << detid << " is not found in instrument " << std::endl;
}
} // for index
} // for group
// 5. Spectrum IDs
std::map<int, std::vector<int> >::iterator pit;
for (pit = mGroupSpectraMap.begin(); pit != mGroupSpectraMap.end(); ++pit)
{
int groupid = pit->first;
std::vector<int> spectra = pit->second;
storage_map::iterator sit;
sit = m_GroupSpecInds.find(groupid);
if (sit == m_GroupSpecInds.end())
continue;
std::vector<size_t>& wsindexes = sit->second;
for (size_t i = 0; i < spectra.size(); i++)
{
int specid = spectra[i];
spec2index_map::iterator ind = specs2index.find(specid);
if ( ind != specs2index.end() )
{
size_t wsid = ind->second;
wsindexes.push_back(wsid);
if ( unUsedSpec[wsid] != ( 1000 - INT_MAX ) )
{
unUsedSpec[wsid] = ( 1000 - INT_MAX );
}
}
else
{
g_log.error() << "Spectrum with ID " << specid<< " is not found in instrument " << std::endl;
}
} // for index
} // for group
return;
}
/**
* Computed the normalization for the input workspace. Results are stored in
* m_normWS
* @param otherValues
* @param affineTrans
*/
void MDNormSCD::calculateNormalization(
const std::vector<coord_t> &otherValues,
const Kernel::Matrix<coord_t> &affineTrans) {
API::MatrixWorkspace_const_sptr integrFlux = getProperty("FluxWorkspace");
integrFlux->getXMinMax(m_kiMin, m_kiMax);
API::MatrixWorkspace_const_sptr solidAngleWS =
getProperty("SolidAngleWorkspace");
const auto &exptInfoZero = *(m_inputWS->getExperimentInfo(0));
typedef Kernel::PropertyWithValue<std::vector<double>> VectorDoubleProperty;
auto *rubwLog =
dynamic_cast<VectorDoubleProperty *>(exptInfoZero.getLog("RUBW_MATRIX"));
if (!rubwLog) {
throw std::runtime_error(
"Wokspace does not contain a log entry for the RUBW matrix."
"Cannot continue.");
} else {
Kernel::DblMatrix rubwValue(
(*rubwLog)()); // includes the 2*pi factor but not goniometer for now :)
m_rubw = exptInfoZero.run().getGoniometerMatrix() * rubwValue;
m_rubw.Invert();
}
const double protonCharge = exptInfoZero.run().getProtonCharge();
auto instrument = exptInfoZero.getInstrument();
std::vector<detid_t> detIDs = instrument->getDetectorIDs(true);
// Prune out those that are part of a group and simply leave the head of the
// group
detIDs = removeGroupedIDs(exptInfoZero, detIDs);
// Mappings
const int64_t ndets = static_cast<int64_t>(detIDs.size());
const detid2index_map fluxDetToIdx =
integrFlux->getDetectorIDToWorkspaceIndexMap();
const detid2index_map solidAngDetToIdx =
solidAngleWS->getDetectorIDToWorkspaceIndexMap();
auto prog = make_unique<API::Progress>(this, 0.3, 1.0, ndets);
PARALLEL_FOR1(integrFlux)
for (int64_t i = 0; i < ndets; i++) {
PARALLEL_START_INTERUPT_REGION
const auto detID = detIDs[i];
double theta(0.0), phi(0.0);
bool skip(false);
try {
auto spectrum = getThetaPhi(detID, exptInfoZero, theta, phi);
if (spectrum->isMonitor() || spectrum->isMasked())
continue;
} catch (
std::exception &) // detector might not exist or has no been included
// in grouping
{
skip = true; // Intel compiler has a problem with continue inside a catch
// inside openmp...
}
if (skip)
continue;
// Intersections
auto intersections = calculateIntersections(theta, phi);
if (intersections.empty())
continue;
// get the flux spetrum number
size_t wsIdx = fluxDetToIdx.find(detID)->second;
// Get solid angle for this contribution
double solid =
solidAngleWS->readY(solidAngDetToIdx.find(detID)->second)[0] *
protonCharge;
// -- calculate integrals for the intersection --
// momentum values at intersections
auto intersectionsBegin = intersections.begin();
std::vector<double> xValues(intersections.size()),
yValues(intersections.size());
{
// copy momenta to xValues
auto x = xValues.begin();
for (auto it = intersectionsBegin; it != intersections.end(); ++it, ++x) {
*x = (*it)[3];
}
}
// calculate integrals at momenta from xValues by interpolating between
// points in spectrum sp
// of workspace integrFlux. The result is stored in yValues
calcIntegralsForIntersections(xValues, *integrFlux, wsIdx, yValues);
// Compute final position in HKL
const size_t vmdDims = intersections.front().size();
// pre-allocate for efficiency and copy non-hkl dim values into place
std::vector<coord_t> pos(vmdDims + otherValues.size());
std::copy(otherValues.begin(), otherValues.end(),
pos.begin() + vmdDims - 1);
pos.push_back(1.);
for (auto it = intersectionsBegin + 1; it != intersections.end(); ++it) {
const auto &curIntSec = *it;
const auto &prevIntSec = *(it - 1);
// the full vector isn't used so compute only what is necessary
double delta = curIntSec[3] - prevIntSec[3];
if (delta < 1e-07)
continue; // Assume zero contribution if difference is small
// Average between two intersections for final position
std::transform(curIntSec.getBareArray(),
curIntSec.getBareArray() + vmdDims - 1,
prevIntSec.getBareArray(), pos.begin(),
VectorHelper::SimpleAverage<coord_t>());
std::vector<coord_t> posNew = affineTrans * pos;
size_t linIndex = m_normWS->getLinearIndexAtCoord(posNew.data());
if (linIndex == size_t(-1))
continue;
// index of the current intersection
size_t k = static_cast<size_t>(std::distance(intersectionsBegin, it));
// signal = integral between two consecutive intersections
double signal = (yValues[k] - yValues[k - 1]) * solid;
PARALLEL_CRITICAL(updateMD) {
signal += m_normWS->getSignalAt(linIndex);
m_normWS->setSignalAt(linIndex, signal);
}
}
prog->report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
}
