/** Method updates the column, which describes if current detector/spectra is
masked
It is used if one tries to process multiple workspaces obtained from a
series of experiments where the masked detectors can change */
void PreprocessDetectorsToMD::updateMasksState(
const API::MatrixWorkspace_const_sptr &inputWS,
DataObjects::TableWorkspace_sptr &targWS) {
int *pMasksArray = targWS->getColDataArray<int>("detMask");
if (!pMasksArray)
throw std::invalid_argument(
"target workspace " + targWS->getName() +
" does not have defined masks column to update");
size_t nHist = targWS->rowCount();
const size_t nRows = inputWS->getNumberHistograms();
if (nHist != nRows)
throw std::invalid_argument(
" source workspace " + inputWS->getName() + " and target workspace " +
targWS->getName() +
" are inconsistent as have different numner of detectors");
uint32_t liveDetectorsCount(0);
const auto &spectrumInfo = inputWS->spectrumInfo();
for (size_t i = 0; i < nHist; i++) {
if (!spectrumInfo.hasDetectors(i) || spectrumInfo.isMonitor(i))
continue;
// if masked detectors state is not used, masked detectors just ignored;
bool maskDetector = spectrumInfo.isMasked(i);
*(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
liveDetectorsCount++;
}
}
/** Create the table workspace containing experimental data
Each row is a data point measured in experiment
* @brief LoadSpiceAscii::createDataWS
* @param datalist
* @param titles
* @return
*/
API::ITableWorkspace_sptr LoadSpiceAscii::createDataWS(
const std::vector<std::vector<std::string>> &datalist,
const std::vector<std::string> &titles) {
// Create a table workspace with columns defined
DataObjects::TableWorkspace_sptr outws =
boost::make_shared<DataObjects::TableWorkspace>();
size_t ipt = -1;
for (size_t i = 0; i < titles.size(); ++i) {
if (titles[i].compare("Pt.") == 0) {
outws->addColumn("int", titles[i]);
ipt = i;
} else {
outws->addColumn("double", titles[i]);
}
}
// Add rows
size_t numrows = datalist.size();
size_t numcols = outws->columnCount();
for (size_t irow = 0; irow < numrows; ++irow) {
TableRow newrow = outws->appendRow();
for (size_t icol = 0; icol < numcols; ++icol) {
std::string item = datalist[irow][icol];
if (icol == ipt)
newrow << atoi(item.c_str());
else
newrow << atof(item.c_str());
}
}
ITableWorkspace_sptr tablews =
boost::dynamic_pointer_cast<ITableWorkspace>(outws);
return tablews;
}
/** method calculates fake detectors positions in the situation when real detector information has been lost */
void PreprocessDetectorsToMD::buildFakeDetectorsPositions(const API::MatrixWorkspace_const_sptr &inputWS,DataObjects::TableWorkspace_sptr &targWS)
{
UNUSED_ARG(inputWS);
// set sample-detector position equal to 1;
targWS->logs()->addProperty<double>("L1",1.,true);
//
targWS->logs()->addProperty<std::string>("InstrumentName","FakeInstrument",true);
targWS->logs()->addProperty<bool>("FakeDetectors",true,true);
// get access to the workspace memory
auto &sp2detMap = targWS->getColVector<size_t>("spec2detMap");
auto &detId = targWS->getColVector<int32_t>("DetectorID");
auto &detIDMap = targWS->getColVector<size_t>("detIDMap");
auto &L2 = targWS->getColVector<double>("L2");
auto &TwoTheta = targWS->getColVector<double>("TwoTheta");
auto &Azimuthal = targWS->getColVector<double>("Azimuthal");
auto &detDir = targWS->getColVector<Kernel::V3D>("DetDirections");
// auto &detMask = targWS->getColVector<bool>("detMask");
//// progress message appearance
size_t nHist = targWS->rowCount();
targWS->logs()->addProperty<uint32_t>("ActualDetectorsNum",uint32_t(nHist),true);
double polar(0);
// Loop over the spectra
for (size_t i = 0; i < nHist; i++)
{
sp2detMap[i]= i;
detId[i] = (detid_t)i;
detIDMap[i] = i;
L2[i] = 1;
TwoTheta[i] = polar;
Azimuthal[i] = 0;
//this->SinThetaSq[i]= 0;
double ez = 1.;
double ex = 0.;
double ey = 0.;
detDir[i].setX(ex);
detDir[i].setY(ey);
detDir[i].setZ(ez);
}
//
}
/** Parse input TableWorkspace to get a list of detectors IDs of which detector
* are already masked
* @param masktablews :: TableWorkspace containing masking information
* @param maskeddetectorids :: (output) vector of detector IDs that are masked
*/
void ExtractMaskToTable::parseMaskTable(
DataObjects::TableWorkspace_sptr masktablews,
std::vector<detid_t> &maskeddetectorids) {
// Clear input
maskeddetectorids.clear();
// Check format of mask table workspace
if (masktablews->columnCount() != 3) {
g_log.error("Mask table workspace must have more than 3 columns. First 3 "
"must be Xmin, Xmax and Spectrum List.");
return;
} else {
vector<string> colnames = masktablews->getColumnNames();
vector<string> chkcolumans(3);
chkcolumans[0] = "XMin";
chkcolumans[1] = "XMax";
chkcolumans[2] = "DetectorIDsList";
for (int i = 0; i < 3; ++i) {
if (colnames[i] != chkcolumans[i]) {
g_log.error() << "Mask table workspace " << masktablews->name() << "'s "
<< i << "-th column name is " << colnames[i]
<< ", while it should be " << chkcolumans[i]
<< ". MaskWorkspace is invalid"
<< " and thus not used.\n";
return;
}
}
}
// Parse each row
size_t numrows = masktablews->rowCount();
double xmin, xmax;
string specliststr;
for (size_t i = 0; i < numrows; ++i) {
TableRow tmprow = masktablews->getRow(i);
tmprow >> xmin >> xmax >> specliststr;
vector<detid_t> tmpdetidvec;
parseStringToVector(specliststr, tmpdetidvec);
maskeddetectorids.insert(maskeddetectorids.end(), tmpdetidvec.begin(),
tmpdetidvec.end());
}
return;
}
/** Method updates the column, which describes if current detector/spectra is
masked
It is used if one tries to process multiple workspaces obtained from a
series of experiments where the masked detectors can change */
void PreprocessDetectorsToMD::updateMasksState(
const API::MatrixWorkspace_const_sptr &inputWS,
DataObjects::TableWorkspace_sptr &targWS) {
int *pMasksArray = targWS->getColDataArray<int>("detMask");
if (!pMasksArray)
throw std::invalid_argument(
"target workspace " + targWS->getName() +
" does not have defined masks column to update");
size_t nHist = targWS->rowCount();
const size_t nRows = inputWS->getNumberHistograms();
if (nHist != nRows)
throw std::invalid_argument(
" source workspace " + inputWS->getName() + " and target workspace " +
targWS->getName() +
" are inconsistent as have different numner of detectors");
uint32_t liveDetectorsCount(0);
for (size_t i = 0; i < nHist; i++) {
// get detector or detector group which corresponds to the spectra i
Geometry::IDetector_const_sptr spDet;
try {
spDet = inputWS->getDetector(i);
} catch (Kernel::Exception::NotFoundError &) {
continue;
}
// Check that we aren't dealing with monitor...
if (spDet->isMonitor())
continue;
// if masked detectors state is not used, masked detectors just ignored;
bool maskDetector = spDet->isMasked();
*(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
liveDetectorsCount++;
}
}
/** method does preliminary calculations of the detectors positions to convert
results into k-dE space ;
and places the results into static cash to be used in subsequent calls to this
algorithm */
void PreprocessDetectorsToMD::processDetectorsPositions(
const API::MatrixWorkspace_const_sptr &inputWS,
DataObjects::TableWorkspace_sptr &targWS) {
g_log.information()
<< "Preprocessing detector locations in a target reciprocal space\n";
//
Geometry::Instrument_const_sptr instrument = inputWS->getInstrument();
// this->pBaseInstr = instrument->baseInstrument();
//
Geometry::IComponent_const_sptr source = instrument->getSource();
Geometry::IComponent_const_sptr sample = instrument->getSample();
if ((!source) || (!sample)) {
g_log.error() << " Instrument is not fully defined. Can not identify "
"source or sample\n";
throw Kernel::Exception::InstrumentDefinitionError(
"Instrument not sufficiently defined: failed to get source and/or "
"sample");
}
// L1
try {
double L1 = source->getDistance(*sample);
targWS->logs()->addProperty<double>("L1", L1, true);
g_log.debug() << "Source-sample distance: " << L1 << '\n';
} catch (Kernel::Exception::NotFoundError &) {
throw Kernel::Exception::InstrumentDefinitionError(
"Unable to calculate source-sample distance for workspace",
inputWS->getTitle());
}
// Instrument name
std::string InstrName = instrument->getName();
targWS->logs()->addProperty<std::string>(
"InstrumentName", InstrName,
true); // "The name which should unique identify current instrument");
targWS->logs()->addProperty<bool>("FakeDetectors", false, true);
// get access to the workspace memory
auto &sp2detMap = targWS->getColVector<size_t>("spec2detMap");
auto &detId = targWS->getColVector<int32_t>("DetectorID");
auto &detIDMap = targWS->getColVector<size_t>("detIDMap");
auto &L2 = targWS->getColVector<double>("L2");
auto &TwoTheta = targWS->getColVector<double>("TwoTheta");
auto &Azimuthal = targWS->getColVector<double>("Azimuthal");
auto &detDir = targWS->getColVector<Kernel::V3D>("DetDirections");
// Efixed; do we need one and does one exist?
double Efi = targWS->getLogs()->getPropertyValueAsType<double>("Ei");
float *pEfixedArray(nullptr);
const Geometry::ParameterMap &pmap = inputWS->constInstrumentParameters();
if (m_getEFixed)
pEfixedArray = targWS->getColDataArray<float>("eFixed");
// check if one needs to generate masked detectors column.
int *pMasksArray(nullptr);
if (m_getIsMasked)
pMasksArray = targWS->getColDataArray<int>("detMask");
//// progress message appearance
size_t div = 100;
size_t nHist = targWS->rowCount();
Mantid::API::Progress theProgress(this, 0, 1, nHist);
//// Loop over the spectra
uint32_t liveDetectorsCount(0);
const auto &spectrumInfo = inputWS->spectrumInfo();
for (size_t i = 0; i < nHist; i++) {
sp2detMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
detId[i] = std::numeric_limits<int32_t>::quiet_NaN();
detIDMap[i] = std::numeric_limits<uint64_t>::quiet_NaN();
L2[i] = std::numeric_limits<double>::quiet_NaN();
TwoTheta[i] = std::numeric_limits<double>::quiet_NaN();
Azimuthal[i] = std::numeric_limits<double>::quiet_NaN();
// detMask[i] = true;
if (!spectrumInfo.hasDetectors(i) || spectrumInfo.isMonitor(i))
continue;
// if masked detectors state is not used, masked detectors just ignored;
bool maskDetector = spectrumInfo.isMasked(i);
if (m_getIsMasked)
*(pMasksArray + liveDetectorsCount) = maskDetector ? 1 : 0;
else if (maskDetector)
continue;
const auto &spDet = spectrumInfo.detector(i);
// calculate the requested values;
sp2detMap[i] = liveDetectorsCount;
detId[liveDetectorsCount] = int32_t(spDet.getID());
detIDMap[liveDetectorsCount] = i;
L2[liveDetectorsCount] = spectrumInfo.l2(i);
double polar = spectrumInfo.twoTheta(i);
double azim = spDet.getPhi();
TwoTheta[liveDetectorsCount] = polar;
Azimuthal[liveDetectorsCount] = azim;
double sPhi = sin(polar);
double ez = cos(polar);
double ex = sPhi * cos(azim);
double ey = sPhi * sin(azim);
detDir[liveDetectorsCount].setX(ex);
detDir[liveDetectorsCount].setY(ey);
detDir[liveDetectorsCount].setZ(ez);
// double sinTheta=sin(0.5*polar);
// this->SinThetaSq[liveDetectorsCount] = sinTheta*sinTheta;
// specific code which should work and makes sense
// for indirect instrument but may be deployed on any code with Ei property
// defined;
if (pEfixedArray) {
try {
Geometry::Parameter_sptr par = pmap.getRecursive(&spDet, "eFixed");
if (par)
Efi = par->value<double>();
} catch (std::runtime_error &) {
}
// set efixed for each existing detector
*(pEfixedArray + liveDetectorsCount) = static_cast<float>(Efi);
}
liveDetectorsCount++;
if (i % div == 0)
theProgress.report(i, "Preprocessing detectors");
}
targWS->logs()->addProperty<uint32_t>("ActualDetectorsNum",
liveDetectorsCount, true);
theProgress.report();
g_log.information() << "Finished preprocessing detector locations. Found: "
<< liveDetectorsCount << " detectors out of: " << nHist
<< " histograms\n";
}
/**The method responsible for analyzing input workspace parameters and preprocessing detectors positions into reciprocal space
*
* @param InWS2D -- input Matrix workspace with defined instrument
* @param dEModeRequested -- energy conversion mode (direct/indirect/elastic)
* @param updateMasks -- if full detector positions calculations or just update masking requested
* @param OutWSName -- the name for the preprocessed detectors workspace to have in the analysis data service
*
* @return shared pointer to the workspace with preprocessed detectors information.
*/
DataObjects::TableWorkspace_const_sptr ConvertToMDParent::preprocessDetectorsPositions( Mantid::API::MatrixWorkspace_const_sptr InWS2D,const std::string &dEModeRequested,
bool updateMasks, const std::string & OutWSName)
{
DataObjects::TableWorkspace_sptr TargTableWS;
Kernel::DeltaEMode::Type Emode;
// Do we need to reuse output workspace
bool storeInDataService(true);
std::string tOutWSName(OutWSName);
if(tOutWSName=="-"||tOutWSName.empty()) // TargTableWS is recalculated each time;
{
storeInDataService = false;
tOutWSName = "ServiceTableWS"; // TODO: should be hidden?
}
else
{
storeInDataService = true;
}
// if output workspace exists in dataservice, we may try to use it
if(storeInDataService && API::AnalysisDataService::Instance().doesExist(tOutWSName) )
{
TargTableWS = API::AnalysisDataService::Instance().retrieveWS<DataObjects::TableWorkspace>(tOutWSName);
// get number of all histograms (may be masked or invalid)
size_t nHist = InWS2D->getNumberHistograms();
size_t nDetMap=TargTableWS->rowCount();
if(nHist==nDetMap)
{
// let's take at least some precaution to ensure that instrument have not changed
std::string currentWSInstrumentName = InWS2D->getInstrument()->getName();
std::string oldInstrName = TargTableWS->getLogs()->getPropertyValueAsType<std::string>("InstrumentName");
if(oldInstrName==currentWSInstrumentName)
{
if(!updateMasks) return TargTableWS;
//Target workspace with preprocessed detectors exists and seems is correct one.
// We still need to update masked detectors information
TargTableWS = this->runPreprocessDetectorsToMDChildUpdatingMasks(InWS2D,tOutWSName,dEModeRequested,Emode);
return TargTableWS;
}
}
else // there is a workspace in the data service with the same name but this ws is not suitable as target for this algorithm.
{ // Should delete this WS from the dataservice
API::AnalysisDataService::Instance().remove(tOutWSName);
}
}
// No result found in analysis data service or the result is unsatisfactory. Try to calculate target workspace.
TargTableWS =this->runPreprocessDetectorsToMDChildUpdatingMasks(InWS2D,tOutWSName,dEModeRequested,Emode);
if(storeInDataService)
API::AnalysisDataService::Instance().addOrReplace(tOutWSName,TargTableWS);
// else
// TargTableWS->setName(OutWSName);
// check if we got what we wanted:
// in direct or indirect mode input ws has to have input energy
if(Emode==Kernel::DeltaEMode::Direct||Emode==Kernel::DeltaEMode::Indirect)
{
double m_Ei = TargTableWS->getLogs()->getPropertyValueAsType<double>("Ei");
if(isNaN(m_Ei))
{
// Direct mode needs Ei
if(Emode==Kernel::DeltaEMode::Direct)throw(std::invalid_argument("Input neutron's energy has to be defined in inelastic mode "));
// Do we have at least something for Indirect?
float *eFixed = TargTableWS->getColDataArray<float>("eFixed");
if(!eFixed)
throw(std::invalid_argument("Input neutron's energy has to be defined in inelastic mode "));
uint32_t NDetectors = TargTableWS->getLogs()->getPropertyValueAsType<uint32_t>("ActualDetectorsNum");
for(uint32_t i=0;i<NDetectors;i++)
if(isNaN(*(eFixed+i)))throw(std::invalid_argument("Undefined eFixed energy for detector N: "+boost::lexical_cast<std::string>(i)));
}
}
return TargTableWS;
}
void MaskBinsFromTable::exec()
{
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
DataObjects::TableWorkspace_sptr paramWS = getProperty("MaskingInformation");
// 1. Check input table workspace and column order
g_log.debug() << "Lines of parameters workspace = " << paramWS->rowCount() << std::endl;
bool colname_specx = false;
if (!paramWS)
{
throw std::invalid_argument("Input table workspace is not accepted.");
}
else
{
std::vector<std::string> colnames = paramWS->getColumnNames();
// check colum name order
if (colnames.size() < 3)
{
g_log.error() << "Input MaskingInformation table workspace has fewer than 3 columns. " << colnames.size()
<< " columns indeed" << std::endl;
throw std::invalid_argument("MaskingInformation (TableWorkspace) has too few columns.");
}
if (colnames[0].compare("XMin") == 0)
{
// 1. Style XMin, XMax, SpectraList. Check rest
if (colnames[1].compare("XMax") != 0 || colnames[2].compare("SpectraList") != 0)
{
g_log.error() << "INput MaskingInformation table workspace has wrong column order. " << std::endl;
throw std::invalid_argument("MaskingInformation (TableWorkspace) has too few columns.");
}
}
else if (colnames[0].compare("SpectraList") == 0)
{
// 2. Style SpectraList, XMin, XMax
colname_specx = true;
if (colnames[1].compare("XMin") != 0 || colnames[2].compare("XMax") != 0)
{
g_log.error() << "INput MaskingInformation table workspace has wrong column order. " << std::endl;
throw std::invalid_argument("MaskingInformation (TableWorkspace) has too few columns.");
}
}
else
{
g_log.error() << "INput MaskingInformation table workspace has wrong column order. " << std::endl;
throw std::invalid_argument("MaskingInformation (TableWorkspace) has too few columns.");
}
}
// 2. Loop over all rows
bool firstloop = true;
API::MatrixWorkspace_sptr outputws = this->getProperty("OutputWorkspace");
for (size_t ib = 0; ib < paramWS->rowCount(); ++ib)
{
API::TableRow therow = paramWS->getRow(ib);
double xmin, xmax;
std::string speclist;
if (colname_specx)
{
therow >> speclist >> xmin >> xmax;
}
else
{
therow >> xmin >> xmax >> speclist;
}
g_log.debug() << "Row " << ib << " XMin = " << xmin << " XMax = " << xmax << " SpectraList = " << speclist << std::endl;
API::IAlgorithm_sptr maskbins = this->createChildAlgorithm("MaskBins", 0, 0.3, true);
maskbins->initialize();
if (firstloop)
{
maskbins->setProperty("InputWorkspace", inputWS);
firstloop = false;
}
else
{
maskbins->setProperty("InputWorkspace", outputws);
}
maskbins->setProperty("OutputWorkspace", outputws);
maskbins->setPropertyValue("SpectraList", speclist);
maskbins->setProperty("XMin", xmin);
maskbins->setProperty("XMax", xmax);
bool isexec = maskbins->execute();
if (!isexec)
{
g_log.error() << "MaskBins() is not executed for row " << ib << std::endl;
throw std::runtime_error("MaskBins() is not executed");
}
outputws = maskbins->getProperty("OutputWorkspace");
if (!outputws)
{
g_log.error() << "OutputWorkspace is not retrieved for row " << ib << ". " << std::endl;
throw std::runtime_error("OutputWorkspace is not got from MaskBins");
}
}