double ConvertSpectrumAxis::getEfixed(IDetector_const_sptr detector,
MatrixWorkspace_const_sptr inputWS,
int emode) const {
double efixed(0);
double efixedProp = getProperty("Efixed");
if (efixedProp != EMPTY_DBL()) {
efixed = efixedProp;
g_log.debug() << "Detector: " << detector->getID() << " Efixed: " << efixed
<< "\n";
} else {
if (emode == 1) {
if (inputWS->run().hasProperty("Ei")) {
Kernel::Property *p = inputWS->run().getProperty("Ei");
Kernel::PropertyWithValue<double> *doublep =
dynamic_cast<Kernel::PropertyWithValue<double> *>(p);
if (doublep) {
efixed = (*doublep)();
} else {
efixed = 0.0;
g_log.warning() << "Efixed could not be found for detector "
<< detector->getID() << ", set to 0.0\n";
}
} else {
efixed = 0.0;
g_log.warning() << "Efixed could not be found for detector "
<< detector->getID() << ", set to 0.0\n";
}
} else if (emode == 2) {
std::vector<double> efixedVec = detector->getNumberParameter("Efixed");
if (efixedVec.empty()) {
int detid = detector->getID();
IDetector_const_sptr detectorSingle =
inputWS->getInstrument()->getDetector(detid);
efixedVec = detectorSingle->getNumberParameter("Efixed");
}
if (!efixedVec.empty()) {
efixed = efixedVec.at(0);
g_log.debug() << "Detector: " << detector->getID()
<< " EFixed: " << efixed << "\n";
} else {
efixed = 0.0;
g_log.warning() << "Efixed could not be found for detector "
<< detector->getID() << ", set to 0.0\n";
}
}
}
return efixed;
}
double ConvertSpectrumAxis2::getEfixed(IDetector_const_sptr detector,
MatrixWorkspace_const_sptr inputWS,
int emode) const {
double efixed(0);
double efixedProp = getProperty("Efixed");
if (efixedProp != EMPTY_DBL()) {
efixed = efixedProp;
g_log.debug() << "Detector: " << detector->getID() << " Efixed: " << efixed
<< "\n";
} else {
if (emode == 1) {
if (inputWS->run().hasProperty("Ei")) {
efixed = inputWS->run().getLogAsSingleValue("Ei");
} else {
throw std::invalid_argument("Could not retrieve Efixed from the "
"workspace. Please provide a value.");
}
} else if (emode == 2) {
std::vector<double> efixedVec = detector->getNumberParameter("Efixed");
if (efixedVec.empty()) {
int detid = detector->getID();
IDetector_const_sptr detectorSingle =
inputWS->getInstrument()->getDetector(detid);
efixedVec = detectorSingle->getNumberParameter("Efixed");
}
if (!efixedVec.empty()) {
efixed = efixedVec.at(0);
g_log.debug() << "Detector: " << detector->getID()
<< " EFixed: " << efixed << "\n";
} else {
g_log.warning() << "Efixed could not be found for detector "
<< detector->getID() << ", please provide a value\n";
throw std::invalid_argument("Could not retrieve Efixed from the "
"detector. Please provide a value.");
}
}
}
return efixed;
}
// calculate time from sample to detector
void ModeratorTzeroLinear::calculateTfLi(MatrixWorkspace_const_sptr inputWS,
size_t i, double &t_f, double &L_i) {
static const double convFact = 1.0e-6 * sqrt(2 * PhysicalConstants::meV /
PhysicalConstants::NeutronMass);
static const double TfError = -1.0; // signal error when calculating final
// time
// Get detector position
IDetector_const_sptr det;
try {
det = inputWS->getDetector(i);
} catch (Exception::NotFoundError &) {
t_f = TfError;
return;
}
if (det->isMonitor()) {
L_i = m_instrument->getSource()->getDistance(*det);
t_f = 0.0; // t_f=0.0 since there is no sample to detector path
} else {
IComponent_const_sptr sample = m_instrument->getSample();
try {
L_i = m_instrument->getSource()->getDistance(*sample);
} catch (Exception::NotFoundError &) {
g_log.error("Unable to calculate source-sample distance");
throw Exception::InstrumentDefinitionError(
"Unable to calculate source-sample distance", inputWS->getTitle());
}
// Get final energy E_f, final velocity v_f
std::vector<double> wsProp = det->getNumberParameter("Efixed");
if (!wsProp.empty()) {
double E_f = wsProp.at(0); //[E_f]=meV
double v_f = convFact * sqrt(E_f); //[v_f]=meter/microsec
try {
// obtain L_f, calculate t_f
double L_f = det->getDistance(*sample);
t_f = L_f / v_f;
// g_log.debug() << "detector: " << i << " L_f=" << L_f << " t_f=" <<
// t_f << '\n';
} catch (Exception::NotFoundError &) {
g_log.error("Unable to calculate detector-sample distance");
throw Exception::InstrumentDefinitionError(
"Unable to calculate detector-sample distance",
inputWS->getTitle());
}
} else {
g_log.debug() << "Efixed not found for detector " << i << '\n';
t_f = TfError;
}
}
} // end of CalculateTf(const MatrixWorkspace_sptr inputWS, size_t i)
//calculate time from sample to detector
double ModeratorTzero::CalculateT2(MatrixWorkspace_sptr inputWS, size_t i)
{
static const double convFact = 1.0e-6*sqrt(2*PhysicalConstants::meV/PhysicalConstants::NeutronMass);
double t2(-1.0); // negative initialization signals error
// Get detector position
IDetector_const_sptr det;
try
{
det = inputWS->getDetector(i);
}
catch (Exception::NotFoundError&)
{
return t2;
}
if( det->isMonitor() )
{
t2 = 0.0; //t2=0.0 since there is no sample to detector path
}
else
{
IComponent_const_sptr sample = m_instrument->getSample();
// Get final energy E_f, final velocity v_f
std::vector< double > wsProp=det->getNumberParameter("Efixed");
if ( !wsProp.empty() )
{
double E2 = wsProp.at(0); //[E2]=meV
double v2 = convFact * sqrt(E2); //[v2]=meter/microsec
try
{
double L2 = det->getDistance(*sample);
t2 = L2 / v2;
}
catch (Exception::NotFoundError &)
{
g_log.error("Unable to calculate detector-sample distance");
throw Exception::InstrumentDefinitionError("Unable to calculate detector-sample distance", inputWS->getTitle());
}
}
else
{
g_log.debug() <<"Efixed not found for detector "<< i << std::endl;
}
}
return t2;
} // end of CalculateT2(const MatrixWorkspace_sptr inputWS, size_t i)
void ModeratorTzero::execEvent(const std::string &emode) {
g_log.information("Processing event workspace");
const MatrixWorkspace_const_sptr matrixInputWS =
getProperty("InputWorkspace");
EventWorkspace_const_sptr inputWS =
boost::dynamic_pointer_cast<const EventWorkspace>(matrixInputWS);
// generate the output workspace pointer
const size_t numHists = static_cast<size_t>(inputWS->getNumberHistograms());
Mantid::API::MatrixWorkspace_sptr matrixOutputWS =
getProperty("OutputWorkspace");
EventWorkspace_sptr outputWS;
if (matrixOutputWS == matrixInputWS) {
outputWS = boost::dynamic_pointer_cast<EventWorkspace>(matrixOutputWS);
} else {
// Make a brand new EventWorkspace
outputWS = boost::dynamic_pointer_cast<EventWorkspace>(
WorkspaceFactory::Instance().create("EventWorkspace", numHists, 2, 1));
// Copy geometry over.
WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS, false);
// You need to copy over the data as well.
outputWS->copyDataFrom((*inputWS));
// Cast to the matrixOutputWS and save it
matrixOutputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(outputWS);
setProperty("OutputWorkspace", matrixOutputWS);
}
// Get pointers to sample and source
IComponent_const_sptr source = m_instrument->getSource();
IComponent_const_sptr sample = m_instrument->getSample();
double Lss = source->getDistance(*sample); // distance from source to sample
// calculate tof shift once for all neutrons if emode==Direct
double t0_direct(-1);
if (emode == "Direct") {
Kernel::Property *eiprop = inputWS->run().getProperty("Ei");
double Ei = boost::lexical_cast<double>(eiprop->value());
mu::Parser parser;
parser.DefineVar("incidentEnergy", &Ei); // associate E1 to this parser
parser.SetExpr(m_formula);
t0_direct = parser.Eval();
}
// Loop over the spectra
Progress prog(this, 0.0, 1.0, numHists); // report progress of algorithm
PARALLEL_FOR1(outputWS)
for (int i = 0; i < static_cast<int>(numHists); ++i) {
PARALLEL_START_INTERUPT_REGION
size_t wsIndex = static_cast<size_t>(i);
EventList &evlist = outputWS->getEventList(wsIndex);
if (evlist.getNumberEvents() > 0) // don't bother with empty lists
{
IDetector_const_sptr det;
double L1(Lss); // distance from source to sample
double L2(-1); // distance from sample to detector
try {
det = inputWS->getDetector(i);
if (det->isMonitor()) {
// redefine the sample as the monitor
L1 = source->getDistance(*det);
L2 = 0;
} else {
L2 = sample->getDistance(*det);
}
} catch (Exception::NotFoundError &) {
g_log.error() << "Unable to calculate distances to/from detector" << i
<< std::endl;
}
if (L2 >= 0) {
// One parser for each parallel processor needed (except Edirect mode)
double E1;
mu::Parser parser;
parser.DefineVar("incidentEnergy", &E1); // associate E1 to this parser
parser.SetExpr(m_formula);
// fast neutrons are shifted by min_t0_next, irrespective of tof
double v1_max = L1 / m_t1min;
E1 = m_convfactor * v1_max * v1_max;
double min_t0_next = parser.Eval();
if (emode == "Indirect") {
double t2(-1.0); // time from sample to detector. (-1) signals error
if (det->isMonitor()) {
t2 = 0.0;
} else {
static const double convFact =
1.0e-6 * sqrt(2 * PhysicalConstants::meV /
PhysicalConstants::NeutronMass);
std::vector<double> wsProp = det->getNumberParameter("Efixed");
if (!wsProp.empty()) {
double E2 = wsProp.at(0); //[E2]=meV
double v2 = convFact * sqrt(E2); //[v2]=meter/microsec
t2 = L2 / v2;
} else {
// t2 is kept to -1 if no Efixed is found
g_log.debug() << "Efixed not found for detector " << i
<< std::endl;
}
}
if (t2 >= 0) // t2 < 0 when no detector info is available
{
// fix the histogram bins
MantidVec &x = evlist.dataX();
for (double &tof : x) {
if (tof < m_t1min + t2)
tof -= min_t0_next;
else
tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
}
MantidVec tofs = evlist.getTofs();
for (double &tof : tofs) {
if (tof < m_t1min + t2)
tof -= min_t0_next;
else
tof -= CalculateT0indirect(tof, L1, t2, E1, parser);
}
evlist.setTofs(tofs);
evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
} // end of if( t2>= 0)
} // end of if(emode=="Indirect")
else if (emode == "Elastic") {
// Apply t0 correction to histogram bins
MantidVec &x = evlist.dataX();
for (double &tof : x) {
if (tof < m_t1min * (L1 + L2) / L1)
tof -= min_t0_next;
else
tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
}
MantidVec tofs = evlist.getTofs();
for (double &tof : tofs) {
// add a [-0.1,0.1] microsecond noise to avoid artifacts
// resulting from original tof data
if (tof < m_t1min * (L1 + L2) / L1)
tof -= min_t0_next;
else
tof -= CalculateT0elastic(tof, L1 + L2, E1, parser);
}
evlist.setTofs(tofs);
evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
MantidVec tofs_b = evlist.getTofs();
MantidVec xarray = evlist.readX();
} // end of else if(emode=="Elastic")
else if (emode == "Direct") {
// fix the histogram bins
MantidVec &x = evlist.dataX();
for (double &tof : x) {
tof -= t0_direct;
}
MantidVec tofs = evlist.getTofs();
for (double &tof : tofs) {
tof -= t0_direct;
}
evlist.setTofs(tofs);
evlist.setSortOrder(Mantid::DataObjects::EventSortType::UNSORTED);
} // end of else if(emode=="Direct")
} // end of if(L2 >= 0)
} // end of if (evlist.getNumberEvents() > 0)
prog.report();
PARALLEL_END_INTERUPT_REGION
} // end of for (int i = 0; i < static_cast<int>(numHists); ++i)
PARALLEL_CHECK_INTERUPT_REGION
outputWS->clearMRU(); // Clears the Most Recent Used lists */
} // end of void ModeratorTzero::execEvent()
void CorrectKiKf::exec()
{
// Get the workspaces
this->inputWS = this->getProperty("InputWorkspace");
this->outputWS = this->getProperty("OutputWorkspace");
// If input and output workspaces are not the same, create a new workspace for the output
if (this->outputWS != this->inputWS)
{
this->outputWS = API::WorkspaceFactory::Instance().create(this->inputWS);
}
//Check if it is an event workspace
EventWorkspace_const_sptr eventW = boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
if (eventW != NULL)
{
this->execEvent();
return;
}
const size_t size = this->inputWS->blocksize();
// Calculate the number of spectra in this workspace
const int numberOfSpectra = static_cast<int>(this->inputWS->size() / size);
API::Progress prog(this,0.0,1.0,numberOfSpectra);
const bool histogram = this->inputWS->isHistogramData();
bool negativeEnergyWarning = false;
const std::string emodeStr = getProperty("EMode");
double efixedProp = getProperty("EFixed");
if( efixedProp == EMPTY_DBL() )
{
if (emodeStr == "Direct")
{
// Check if it has been store on the run object for this workspace
if( this->inputWS->run().hasProperty("Ei"))
{
Kernel::Property* eiprop = this->inputWS->run().getProperty("Ei");
efixedProp = boost::lexical_cast<double>(eiprop->value());
g_log.debug() << "Using stored Ei value " << efixedProp << "\n";
}
else
{
throw std::invalid_argument("No Ei value has been set or stored within the run information.");
}
}
else
{
// If not specified, will try to get Ef from the parameter file for indirect geometry,
// but it will be done for each spectrum separately, in case of different analyzer crystals
}
}
PARALLEL_FOR2(inputWS,outputWS)
for (int64_t i = 0; i < int64_t(numberOfSpectra); ++i)
{
PARALLEL_START_INTERUPT_REGION
double Efi = 0;
// Now get the detector object for this histogram to check if monitor
// or to get Ef for indirect geometry
if (emodeStr == "Indirect")
{
if ( efixedProp != EMPTY_DBL()) Efi = efixedProp;
else try
{
IDetector_const_sptr det = inputWS->getDetector(i);
if (!det->isMonitor())
{
std::vector< double > wsProp=det->getNumberParameter("Efixed");
if ( wsProp.size() > 0 )
{
Efi=wsProp.at(0);
g_log.debug() << i << " Ef: "<< Efi<<" (from parameter file)\n";
}
else
{
g_log.information() <<"Ef not found for spectrum "<< i << std::endl;
throw std::invalid_argument("No Ef value has been set or found.");
}
}
}
catch(std::runtime_error&) { g_log.information() << "Spectrum " << i << ": cannot find detector" << "\n"; }
}
MantidVec& yOut = outputWS->dataY(i);
MantidVec& eOut = outputWS->dataE(i);
const MantidVec& xIn = inputWS->readX(i);
const MantidVec& yIn = inputWS->readY(i);
const MantidVec& eIn = inputWS->readE(i);
//Copy the energy transfer axis
outputWS->setX( i, inputWS->refX(i) );
for (unsigned int j = 0; j < size; ++j)
{
const double deltaE = histogram ? 0.5*(xIn[j]+xIn[j+1]) : xIn[j];
double Ei=0.;
double Ef=0.;
double kioverkf = 1.;
if (emodeStr == "Direct") //Ei=Efixed
{
Ei = efixedProp;
Ef = Ei - deltaE;
} else //Ef=Efixed
{
Ef = Efi;
Ei = Efi + deltaE;
}
// if Ei or Ef is negative, it should be a warning
// however, if the intensity is 0 (histogram goes to energy transfer higher than Ei) it is still ok, so no warning.
if ((Ei <= 0)||(Ef <= 0))
{
kioverkf=0.;
if (yIn[j]!=0) negativeEnergyWarning=true;
}
else kioverkf = std::sqrt( Ei / Ef );
yOut[j] = yIn[j]*kioverkf;
eOut[j] = eIn[j]*kioverkf;
}
prog.report();
PARALLEL_END_INTERUPT_REGION
}//end for i
PARALLEL_CHECK_INTERUPT_REGION
if (negativeEnergyWarning) g_log.information() <<"Ef <= 0 or Ei <= 0 in at least one spectrum!!!!"<<std::endl;
if ((negativeEnergyWarning) && ( efixedProp == EMPTY_DBL())) g_log.information()<<"Try to set fixed energy"<<std::endl ;
this->setProperty("OutputWorkspace",this->outputWS);
return;
}
void CorrectKiKf::execEvent()
{
g_log.information("Processing event workspace");
const MatrixWorkspace_const_sptr matrixInputWS = this->getProperty("InputWorkspace");
EventWorkspace_const_sptr inputWS= boost::dynamic_pointer_cast<const EventWorkspace>(matrixInputWS);
// generate the output workspace pointer
API::MatrixWorkspace_sptr matrixOutputWS = this->getProperty("OutputWorkspace");
EventWorkspace_sptr outputWS;
if (matrixOutputWS == matrixInputWS)
outputWS = boost::dynamic_pointer_cast<EventWorkspace>(matrixOutputWS);
else
{
//Make a brand new EventWorkspace
outputWS = boost::dynamic_pointer_cast<EventWorkspace>(
API::WorkspaceFactory::Instance().create("EventWorkspace", inputWS->getNumberHistograms(), 2, 1));
//Copy geometry over.
API::WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS, false);
//You need to copy over the data as well.
outputWS->copyDataFrom( (*inputWS) );
//Cast to the matrixOutputWS and save it
matrixOutputWS = boost::dynamic_pointer_cast<MatrixWorkspace>(outputWS);
this->setProperty("OutputWorkspace", matrixOutputWS);
}
const std::string emodeStr = getProperty("EMode");
double efixedProp = getProperty("EFixed"),efixed;
if( efixedProp == EMPTY_DBL() )
{
if (emodeStr == "Direct")
{
// Check if it has been store on the run object for this workspace
if( this->inputWS->run().hasProperty("Ei"))
{
Kernel::Property* eiprop = this->inputWS->run().getProperty("Ei");
efixedProp = boost::lexical_cast<double>(eiprop->value());
g_log.debug() << "Using stored Ei value " << efixedProp << "\n";
}
else
{
throw std::invalid_argument("No Ei value has been set or stored within the run information.");
}
}
else
{
// If not specified, will try to get Ef from the parameter file for indirect geometry,
// but it will be done for each spectrum separately, in case of different analyzer crystals
}
}
int64_t numHistograms = static_cast<int64_t>(inputWS->getNumberHistograms());
API::Progress prog = API::Progress(this, 0.0, 1.0, numHistograms);
PARALLEL_FOR1(outputWS)
for (int64_t i=0; i < numHistograms; ++i)
{
PARALLEL_START_INTERUPT_REGION
double Efi = 0;
// Now get the detector object for this histogram to check if monitor
// or to get Ef for indirect geometry
if (emodeStr == "Indirect")
{
if ( efixedProp != EMPTY_DBL()) Efi = efixedProp;
else try
{
IDetector_const_sptr det = inputWS->getDetector(i);
if (!det->isMonitor())
{
std::vector< double > wsProp=det->getNumberParameter("Efixed");
if ( wsProp.size() > 0 )
{
Efi=wsProp.at(0);
g_log.debug() << i << " Ef: "<< Efi<<" (from parameter file)\n";
}
else
{
g_log.information() <<"Ef not found for spectrum "<< i << std::endl;
throw std::invalid_argument("No Ef value has been set or found.");
}
}
}
catch(std::runtime_error&) { g_log.information() << "Spectrum " << i << ": cannot find detector" << "\n"; }
}
if (emodeStr == "Indirect") efixed=Efi;
else efixed=efixedProp;
//Do the correction
EventList *evlist=outputWS->getEventListPtr(i);
switch (evlist->getEventType())
{
case TOF:
//Switch to weights if needed.
evlist->switchTo(WEIGHTED);
// Fall through
case WEIGHTED:
correctKiKfEventHelper(evlist->getWeightedEvents(), efixed,emodeStr);
break;
case WEIGHTED_NOTIME:
correctKiKfEventHelper(evlist->getWeightedEventsNoTime(), efixed,emodeStr);
break;
}
prog.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
outputWS->clearMRU();
if (inputWS->getNumberEvents( ) != outputWS->getNumberEvents( ))
{
g_log.information() <<"Ef <= 0 or Ei <= 0 for "<<inputWS->getNumberEvents( )-outputWS->getNumberEvents( )<<" events, out of "<<inputWS->getNumberEvents( )<<std::endl;
if ( efixedProp == EMPTY_DBL()) g_log.information()<<"Try to set fixed energy"<<std::endl ;
}
}
