/// Fetch the properties and set the appropriate member variables
void AbsorptionCorrection::retrieveBaseProperties() {
double sigma_atten = getProperty("AttenuationXSection"); // in barns
double sigma_s = getProperty("ScatteringXSection"); // in barns
double rho = getProperty("SampleNumberDensity"); // in Angstroms-3
const Material &sampleMaterial = m_inputWS->sample().getShape().material();
if (sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda) !=
0.0) {
if (rho == EMPTY_DBL())
rho = sampleMaterial.numberDensity();
if (sigma_s == EMPTY_DBL())
sigma_s =
sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda);
if (sigma_atten == EMPTY_DBL())
sigma_atten = sampleMaterial.absorbXSection(NeutronAtom::ReferenceLambda);
} else // Save input in Sample with wrong atomic number and name
{
NeutronAtom neutron(0, 0, 0.0, 0.0, sigma_s, 0.0, sigma_s, sigma_atten);
auto shape = boost::shared_ptr<IObject>(
m_inputWS->sample().getShape().cloneWithMaterial(
Material("SetInAbsorptionCorrection", neutron, rho)));
m_inputWS->mutableSample().setShape(shape);
}
rho *= 100; // Will give right units in going from
// mu in cm^-1 to m^-1 for mu*total flight path( in m )
// NOTE: the angstrom^-2 to barns and the angstrom^-1 to cm^-1
// will cancel for mu to give units: cm^-1
m_refAtten = -sigma_atten * rho / NeutronAtom::ReferenceLambda;
m_scattering = -sigma_s * rho;
n_lambda = getProperty("NumberOfWavelengthPoints");
std::string exp_string = getProperty("ExpMethod");
if (exp_string == "Normal") // Use the system exp function
EXPONENTIAL = exp;
else if (exp_string == "FastApprox") // Use the compact approximation
EXPONENTIAL = fast_exp;
// Get the energy mode
const std::string emodeStr = getProperty("EMode");
// Convert back to an integer representation
m_emode = 0;
if (emodeStr == "Direct")
m_emode = 1;
else if (emodeStr == "Indirect")
m_emode = 2;
// If inelastic, get the fixed energy and convert it to a wavelength
if (m_emode) {
const double efixed = getProperty("Efixed");
Unit_const_sptr energy = UnitFactory::Instance().create("Energy");
double factor, power;
energy->quickConversion(*UnitFactory::Instance().create("Wavelength"),
factor, power);
m_lambdaFixed = factor * std::pow(efixed, power);
}
// Call the virtual function for any further properties
retrieveProperties();
}
/// Fetch the properties and set the appropriate member variables
void AnvredCorrection::retrieveBaseProperties() {
m_smu = getProperty("LinearScatteringCoef"); // in 1/cm
m_amu = getProperty("LinearAbsorptionCoef"); // in 1/cm
m_radius = getProperty("Radius"); // in cm
m_power_th = getProperty("PowerLambda"); // in cm
const Material &sampleMaterial = m_inputWS->sample().getMaterial();
if (sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda) !=
0.0) {
double rho = sampleMaterial.numberDensity();
if (m_smu == EMPTY_DBL())
m_smu =
sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda) *
rho;
if (m_amu == EMPTY_DBL())
m_amu = sampleMaterial.absorbXSection(NeutronAtom::ReferenceLambda) * rho;
} else // Save input in Sample with wrong atomic number and name
{
NeutronAtom neutron(static_cast<uint16_t>(EMPTY_DBL()),
static_cast<uint16_t>(0), 0.0, 0.0, m_smu, 0.0, m_smu,
m_amu);
Object shape = m_inputWS->sample().getShape(); // copy
shape.setMaterial(Material("SetInAnvredCorrection", neutron, 1.0));
m_inputWS->mutableSample().setShape(shape);
}
if (m_smu != EMPTY_DBL() && m_amu != EMPTY_DBL())
g_log.notice() << "LinearScatteringCoef = " << m_smu << " 1/cm\n"
<< "LinearAbsorptionCoef = " << m_amu << " 1/cm\n"
<< "Radius = " << m_radius << " cm\n"
<< "Power Lorentz corrections = " << m_power_th << " \n";
// Call the virtual function for any further properties
retrieveProperties();
}
API::MatrixWorkspace_sptr HRPDSlabCanAbsorption::runFlatPlateAbsorption() {
MatrixWorkspace_sptr m_inputWS = getProperty("InputWorkspace");
double sigma_atten = getProperty("SampleAttenuationXSection"); // in barns
double sigma_s = getProperty("SampleScatteringXSection"); // in barns
double rho = getProperty("SampleNumberDensity"); // in Angstroms-3
const Material &sampleMaterial = m_inputWS->sample().getMaterial();
if (sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda) !=
0.0) {
if (rho == EMPTY_DBL())
rho = sampleMaterial.numberDensity();
if (sigma_s == EMPTY_DBL())
sigma_s =
sampleMaterial.totalScatterXSection(NeutronAtom::ReferenceLambda);
if (sigma_atten == EMPTY_DBL())
sigma_atten = sampleMaterial.absorbXSection(NeutronAtom::ReferenceLambda);
} else // Save input in Sample with wrong atomic number and name
{
NeutronAtom neutron(static_cast<uint16_t>(EMPTY_DBL()),
static_cast<uint16_t>(0), 0.0, 0.0, sigma_s, 0.0,
sigma_s, sigma_atten);
Object shape = m_inputWS->sample().getShape(); // copy
shape.setMaterial(Material("SetInSphericalAbsorption", neutron, rho));
m_inputWS->mutableSample().setShape(shape);
}
// Call FlatPlateAbsorption as a Child Algorithm
IAlgorithm_sptr childAlg =
createChildAlgorithm("FlatPlateAbsorption", 0.0, 0.9);
// Pass through all the properties
childAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", m_inputWS);
childAlg->setProperty<double>("AttenuationXSection", sigma_atten);
childAlg->setProperty<double>("ScatteringXSection", sigma_s);
childAlg->setProperty<double>("SampleNumberDensity", rho);
childAlg->setProperty<int64_t>("NumberOfWavelengthPoints",
getProperty("NumberOfWavelengthPoints"));
childAlg->setProperty<std::string>("ExpMethod", getProperty("ExpMethod"));
// The height and width of the sample holder are standard for HRPD
const double HRPDCanHeight = 2.3;
const double HRPDCanWidth = 1.8;
childAlg->setProperty("SampleHeight", HRPDCanHeight);
childAlg->setProperty("SampleWidth", HRPDCanWidth);
// Valid values are 0.2,0.5,1.0 & 1.5 - would be nice to have a numeric list
// validator
const std::string thickness = getPropertyValue("Thickness");
childAlg->setPropertyValue("SampleThickness", thickness);
childAlg->executeAsChildAlg();
return childAlg->getProperty("OutputWorkspace");
}
/** Loads and checks the values passed to the algorithm
*
* @throw invalid_argument if there is an incapatible property value so the algorithm can't continue
*/
void DetectorEfficiencyCorUser::retrieveProperties() {
// Get the workspaces
m_inputWS = this->getProperty("InputWorkspace");
m_outputWS = this->getProperty("OutputWorkspace");
// If input and output workspaces are not the same, create a new workspace for the output
if (m_outputWS != this->m_inputWS) {
m_outputWS = API::WorkspaceFactory::Instance().create(m_inputWS);
}
// these first three properties are fully checked by validators
m_Ei = this->getProperty("IncidentEnergy");
// If we're not given an Ei, see if one has been set.
if (m_Ei == EMPTY_DBL()) {
Mantid::Kernel::Property* prop = m_inputWS->run().getProperty("Ei");
double val;
if (!prop || !Strings::convert(prop->value(), val)) {
throw std::invalid_argument(
"No Ei value has been set or stored within the run information.");
}
m_Ei = val;
g_log.debug() << "Using stored Ei value " << m_Ei << "\n";
} else {
g_log.debug() << "Using user input Ei value: " << m_Ei << "\n";
}
}
/** Returns whether algorithm parameter was left as default EMPTY_INT,LONG,DBL
* @returns True if param was unset and value = EMPTY_XXX, else false
*/
bool PropertyHistory::isEmptyDefault() const {
bool emptyDefault = false;
// Static lists to be initialised on first call
static std::vector<std::string> numberTypes, emptyValues;
// Type strings corresponding to numbers
if (numberTypes.empty()) {
numberTypes.push_back(getUnmangledTypeName(typeid(int)));
numberTypes.push_back(getUnmangledTypeName(typeid(int64_t)));
numberTypes.push_back(getUnmangledTypeName(typeid(double)));
}
// Empty values
if (emptyValues.empty()) {
emptyValues.push_back(std::to_string(EMPTY_INT()));
emptyValues.push_back(boost::lexical_cast<std::string>(EMPTY_DBL()));
emptyValues.push_back(std::to_string(EMPTY_LONG()));
}
// If default, input, number type and matches empty value then return true
if (m_isDefault && m_direction != Direction::Output) {
if (std::find(numberTypes.begin(), numberTypes.end(), m_type) !=
numberTypes.end()) {
if (std::find(emptyValues.begin(), emptyValues.end(), m_value) !=
emptyValues.end()) {
emptyDefault = true;
}
}
}
return emptyDefault;
}
/** Initialize the algorithm's properties.
*/
void ReflectometrySumInQ::init() {
auto inputWSValidator = boost::make_shared<Kernel::CompositeValidator>();
inputWSValidator->add<API::WorkspaceUnitValidator>("Wavelength");
inputWSValidator->add<API::InstrumentValidator>();
auto mandatoryNonnegative = boost::make_shared<Kernel::CompositeValidator>();
mandatoryNonnegative->add<Kernel::MandatoryValidator<double>>();
auto nonnegative = boost::make_shared<Kernel::BoundedValidator<double>>();
nonnegative->setLower(0.);
mandatoryNonnegative->add(nonnegative);
declareWorkspaceInputProperties<API::MatrixWorkspace,
API::IndexType::SpectrumNum |
API::IndexType::WorkspaceIndex>(
Prop::INPUT_WS, "A workspace in X units of wavelength to be summed.",
inputWSValidator);
declareProperty(
Kernel::make_unique<API::WorkspaceProperty<API::MatrixWorkspace>>(
Prop::OUTPUT_WS, "", Kernel::Direction::Output),
"A single histogram workspace containing the result of summation in Q.");
declareProperty(
Prop::BEAM_CENTRE, EMPTY_DBL(), mandatoryNonnegative,
"Fractional workspace index of the specular reflection centre.");
declareProperty(Prop::IS_FLAT_SAMPLE, true,
"If true, the summation is handled as the standard divergent "
"beam case, otherwise as the non-flat sample case.");
declareProperty(Prop::PARTIAL_BINS, false,
"If true, use the full projected wavelength range possibly "
"including partially filled bins.");
}
/** Loads and checks the values passed to the algorithm
*
* @throw invalid_argument if there is an incapatible property value so the algorithm can't continue
*/
void DetectorEfficiencyCor::retrieveProperties()
{
// these first three properties are fully checked by validators
m_inputWS = getProperty("InputWorkspace");
m_paraMap = &(m_inputWS->instrumentParameters());
m_Ei = getProperty("IncidentEnergy");
// If we're not given an Ei, see if one has been set.
if( m_Ei == EMPTY_DBL() )
{
if( m_inputWS->run().hasProperty("Ei") )
{
Kernel::Property* eiprop = m_inputWS->run().getProperty("Ei");
m_Ei = boost::lexical_cast<double>(eiprop->value());
g_log.debug() << "Using stored Ei value " << m_Ei << "\n";
}
else
{
throw std::invalid_argument("No Ei value has been set or stored within the run information.");
}
}
m_outputWS = getProperty("OutputWorkspace");
// If input and output workspaces are not the same, create a new workspace for the output
if (m_outputWS != m_inputWS )
{
m_outputWS = WorkspaceFactory::Instance().create(m_inputWS);
}
}
/**
* Applies offset, crops and rebin the workspace according to specified params.
* @param ws :: Workspace to correct
* @param loadedTimeZero :: Time zero of the data, so we can calculate the
* offset
* @return Corrected workspace
*/
MatrixWorkspace_sptr MuonLoad::correctWorkspace(MatrixWorkspace_sptr ws,
double loadedTimeZero) {
// Offset workspace, if need to
double timeZero = getProperty("TimeZero");
if (timeZero != EMPTY_DBL()) {
double offset = loadedTimeZero - timeZero;
IAlgorithm_sptr changeOffset = createChildAlgorithm("ChangeBinOffset");
changeOffset->setProperty("InputWorkspace", ws);
changeOffset->setProperty("Offset", offset);
changeOffset->execute();
ws = changeOffset->getProperty("OutputWorkspace");
}
// Crop workspace, if need to
double Xmin = getProperty("Xmin");
double Xmax = getProperty("Xmax");
if (Xmin != EMPTY_DBL() || Xmax != EMPTY_DBL()) {
IAlgorithm_sptr crop = createChildAlgorithm("CropWorkspace");
crop->setProperty("InputWorkspace", ws);
if (Xmin != EMPTY_DBL())
crop->setProperty("Xmin", Xmin);
if (Xmax != EMPTY_DBL())
crop->setProperty("Xmax", Xmax);
crop->execute();
ws = crop->getProperty("OutputWorkspace");
}
// Rebin workspace if need to
std::vector<double> rebinParams = getProperty("RebinParams");
if (!rebinParams.empty()) {
IAlgorithm_sptr rebin = createChildAlgorithm("Rebin");
rebin->setProperty("InputWorkspace", ws);
rebin->setProperty("Params", rebinParams);
rebin->setProperty("FullBinsOnly", true);
rebin->execute();
ws = rebin->getProperty("OutputWorkspace");
}
return ws;
}
/**
* Get end time for fit
* If it's not there, use the last available time in the workspace.
* @return :: End time for fit
*/
double CalMuonDetectorPhases::getEndTime() const {
double endTime = getProperty("LastGoodData");
if (endTime == EMPTY_DBL()) {
// Last available time
endTime = m_inputWS->readX(0).back();
}
return endTime;
}
/** Initialisation method
*/
void Fit1D::init() {
declareProperty(new WorkspaceProperty<MatrixWorkspace>("InputWorkspace", "",
Direction::Input),
"Name of the input Workspace");
auto mustBePositive = boost::make_shared<BoundedValidator<int>>();
mustBePositive->setLower(0);
declareProperty("WorkspaceIndex", 0, mustBePositive,
"The Workspace to fit, uses the workspace numbering of the "
"spectra (default 0)");
declareProperty("StartX", EMPTY_DBL(), "A value of x in, or on the low x "
"boundary of, the first bin to "
"include in\n"
"the fit (default lowest value of x)");
declareProperty("EndX", EMPTY_DBL(), "A value in, or on the high x boundary "
"of, the last bin the fitting range\n"
"(default the highest value of x)");
size_t i0 = getProperties().size();
// declare parameters specific to a given fitting function
declareParameters();
// load the name of these specific parameter into a vector for later use
const std::vector<Property *> props = getProperties();
for (size_t i = i0; i < props.size(); i++) {
m_parameterNames.push_back(props[i]->name());
}
declareProperty("Fix", "", "A list of comma separated parameter names which "
"should be fixed in the fit");
declareProperty(
"MaxIterations", 500, mustBePositive,
"Stop after this number of iterations if a good fit is not found");
declareProperty("OutputStatus", "", Direction::Output);
declareProperty("OutputChi2overDoF", 0.0, Direction::Output);
// Disable default gsl error handler (which is to call abort!)
gsl_set_error_handler_off();
declareAdditionalProperties();
declareProperty("Output", "", "If not empty OutputParameters TableWorksace "
"and OutputWorkspace will be created.");
}
/**
* @brief Calculate function values on an energy domain
* @param out array to store function values
* @param xValues energy domain where function is evaluated
* @param nData size of the energy domain
* @exception No Q values can be found in associated attributes
*/
void InelasticDiffSphere::function1D(double *out, const double *xValues,
const size_t nData) const {
auto I = this->getParameter("Intensity");
auto R = this->getParameter("Radius");
auto D = this->getParameter("Diffusion");
auto S = this->getParameter("Shift");
double Q;
if (this->getAttribute("Q").asDouble() == EMPTY_DBL()) {
if (m_qValueCache.empty()) {
throw std::runtime_error(
"No Q attribute provided and cannot retrieve from worksapce.");
}
auto specIdx = this->getAttribute("WorkspaceIndex").asInt();
Q = m_qValueCache[specIdx];
g_log.debug() << "Get Q value for workspace index " << specIdx << ": " << Q
<< '\n';
} else {
Q = this->getAttribute("Q").asDouble();
g_log.debug() << "Using Q attribute: " << Q << '\n';
}
// // Penalize negative parameters
if (I < std::numeric_limits<double>::epsilon() ||
R < std::numeric_limits<double>::epsilon() ||
D < std::numeric_limits<double>::epsilon()) {
for (size_t i = 0; i < nData; i++) {
out[i] = std::numeric_limits<double>::infinity();
}
return;
}
// List of Lorentzian HWHM
std::vector<double> HWHM;
size_t ncoeff = m_xnl.size();
for (size_t n = 0; n < ncoeff; n++) {
auto x = m_xnl[n].x; // eigenvalue
HWHM.push_back(m_hbar * x * x * D / (R * R));
}
std::vector<double> YJ;
YJ = this->LorentzianCoefficients(Q * R); // The (2l+1)*A_{n,l}
for (size_t i = 0; i < nData; i++) {
double energy = xValues[i] - S; // from meV to THz (or from micro-eV to PHz)
out[i] = 0.0;
for (size_t n = 0; n < ncoeff; n++) {
double L = (1.0 / M_PI) * HWHM[n] /
(HWHM[n] * HWHM[n] + energy * energy); // Lorentzian
out[i] += I * YJ[n] * L;
}
}
}
/*
* Get instrument property as double
* @s - input property name
*
*/
double
LoadHelper::getInstrumentProperty(const API::MatrixWorkspace_sptr &workspace,
std::string s) {
std::vector<std::string> prop =
workspace->getInstrument()->getStringParameter(s);
if (prop.empty()) {
g_log.debug("Property <" + s + "> doesn't exist!");
return EMPTY_DBL();
} else {
g_log.debug() << "Property <" + s + "> = " << prop[0] << '\n';
return boost::lexical_cast<double>(prop[0]);
}
}
double
ConvertSpectrumAxis::getEfixed(const Mantid::Geometry::IDetector &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;
}
/**
* Get start time for fit
* If not provided as input, try to read from workspace logs.
* If it's not there either, set to 0 and warn user.
* @return :: Start time for fit
*/
double CalMuonDetectorPhases::getStartTime() const {
double startTime = getProperty("FirstGoodData");
if (startTime == EMPTY_DBL()) {
try {
// Read FirstGoodData from workspace logs if possible
double firstGoodData =
m_inputWS->run().getLogAsSingleValue("FirstGoodData");
startTime = firstGoodData;
} catch (...) {
g_log.warning("Couldn't read FirstGoodData, setting to 0");
startTime = 0.;
}
}
return startTime;
}
/**
* @brief Learn the Q values from the workspace, if possible, and update
* attribute Q accordingly.
* @param workspace Matrix workspace
* @param wi selected spectrum to initialize attributes
* @param startX unused
* @param endX unused
*/
void FunctionQDepends::setMatrixWorkspace(
boost::shared_ptr<const Mantid::API::MatrixWorkspace> workspace, size_t wi,
double startX, double endX) {
UNUSED_ARG(startX);
UNUSED_ARG(endX);
// reset attributes if new workspace is passed
if (!m_vQ.empty()) {
Mantid::API::IFunction::setAttribute("WorkspaceIndex", Attr(EMPTY_INT()));
Mantid::API::IFunction::setAttribute("Q", Attr(EMPTY_DBL()));
}
// Obtain Q values from the passed workspace, if possible. m_vQ will be
// cleared if unsuccessful.
if (workspace) {
m_vQ = this->extractQValues(*workspace);
}
if (!m_vQ.empty()) {
this->setAttribute("WorkspaceIndex", Attr(static_cast<int>(wi)));
}
}
/** Compute the detector rotation angle around origin and optionally set the
* OutputBeamPosition property.
* @return a rotation angle
*/
double LoadILLReflectometry::detectorRotation() {
ITableWorkspace_const_sptr posTable = getProperty("DirectBeamPosition");
const double peakCentre = reflectometryPeak();
g_log.debug() << "Using detector angle (degrees): " << m_detectorAngle
<< '\n';
const double deflection = collimationAngle();
if (!isDefault("OutputBeamPosition")) {
PeakInfo p;
p.detectorAngle = m_detectorAngle;
p.detectorDistance = m_detectorDistance;
p.peakCentre = peakCentre;
setProperty("OutputBeamPosition", createPeakPositionTable(p));
}
const double userAngle = getProperty("BraggAngle");
const double offset =
offsetAngle(peakCentre, PIXEL_CENTER, m_detectorDistance);
m_log.debug() << "Beam offset angle: " << offset << '\n';
if (userAngle != EMPTY_DBL()) {
if (posTable) {
g_log.notice()
<< "Ignoring DirectBeamPosition, using BraggAngle instead.";
}
return 2 * userAngle - offset;
}
if (!posTable) {
if (deflection != 0) {
g_log.debug() << "Using incident deflection angle (degrees): "
<< deflection << '\n';
}
return m_detectorAngle + deflection;
}
const auto dbPeak = parseBeamPositionTable(*posTable);
const double dbOffset =
offsetAngle(dbPeak.peakCentre, PIXEL_CENTER, dbPeak.detectorDistance);
m_log.debug() << "Direct beam offset angle: " << dbOffset << '\n';
const double detectorAngle =
m_detectorAngle - dbPeak.detectorAngle - dbOffset;
m_log.debug() << "Direct beam calibrated detector angle: " << detectorAngle
<< '\n';
return detectorAngle;
}
/**
* Returns the frequency hint to use as a starting point for finding the
* frequency.
*
* If user has provided a frequency (MHz) as input, use that converted to
* Mrad/s.
* Otherwise, use 2*pi*g_mu*(sample_magn_field).
* (2*pi to convert MHz to Mrad/s)
*
* @return :: Frequency hint to use in Mrad/s
*/
double CalMuonDetectorPhases::getFrequencyHint() const {
double freq = getProperty("Frequency");
if (freq == EMPTY_DBL()) {
try {
// Read sample_magn_field from workspace logs
freq = m_inputWS->run().getLogAsSingleValue("sample_magn_field");
// Multiply by muon gyromagnetic ratio: 0.01355 MHz/G
freq *= PhysicalConstants::MuonGyromagneticRatio;
} catch (...) {
throw std::runtime_error(
"Couldn't read sample_magn_field. Please provide a value for "
"the frequency");
}
}
// Convert from MHz to Mrad/s
freq *= 2 * M_PI;
return freq;
}
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;
}
/** Executes the algorithm
*
* @throw runtime_error Thrown if algorithm cannot execute
*/
void MaxMin::exec()
{
// Try and retrieve the optional properties
m_MinRange = getProperty("RangeLower");
m_MaxRange = getProperty("RangeUpper");
m_MinSpec = getProperty("StartWorkspaceIndex");
m_MaxSpec = getProperty("EndWorkspaceIndex");
showMin = getProperty("ShowMin");
// Get the input workspace
MatrixWorkspace_const_sptr localworkspace = getProperty("InputWorkspace");
const int numberOfSpectra = static_cast<int>(localworkspace->getNumberHistograms());
// Check 'StartSpectrum' is in range 0-numberOfSpectra
if ( m_MinSpec > numberOfSpectra )
{
g_log.warning("StartSpectrum out of range! Set to 0.");
m_MinSpec = 0;
}
if ( isEmpty(m_MaxSpec) ) m_MaxSpec = numberOfSpectra-1;
if ( m_MaxSpec > numberOfSpectra-1 || m_MaxSpec < m_MinSpec )
{
g_log.warning("EndSpectrum out of range! Set to max detector number");
m_MaxSpec = numberOfSpectra;
}
if ( m_MinRange > m_MaxRange )
{
g_log.warning("Range_upper is less than Range_lower. Will integrate up to frame maximum.");
m_MaxRange = 0.0;
}
// Create the 1D workspace for the output
MatrixWorkspace_sptr outputWorkspace = API::WorkspaceFactory::Instance().create(localworkspace,m_MaxSpec-m_MinSpec+1,2,1);
Progress progress(this,0,1,(m_MaxSpec-m_MinSpec+1));
PARALLEL_FOR2(localworkspace,outputWorkspace)
// Loop over spectra
for (int i = m_MinSpec; i <= m_MaxSpec; ++i)
{
PARALLEL_START_INTERUPT_REGION
int newindex=i-m_MinSpec;
// Copy over spectrum and detector number info
outputWorkspace->getSpectrum(newindex)->copyInfoFrom(*localworkspace->getSpectrum(i));
// Retrieve the spectrum into a vector
const MantidVec& X = localworkspace->readX(i);
const MantidVec& Y = localworkspace->readY(i);
// Find the range [min,max]
MantidVec::const_iterator lowit, highit;
if (m_MinRange == EMPTY_DBL()) lowit=X.begin();
else lowit=std::lower_bound(X.begin(),X.end(),m_MinRange);
if (m_MaxRange == EMPTY_DBL()) highit=X.end();
else highit=std::find_if(lowit,X.end(),std::bind2nd(std::greater<double>(),m_MaxRange));
// If range specified doesn't overlap with this spectrum then bail out
if ( lowit == X.end() || highit == X.begin() ) continue;
--highit; // Upper limit is the bin before, i.e. the last value smaller than MaxRange
MantidVec::difference_type distmin=std::distance(X.begin(),lowit);
MantidVec::difference_type distmax=std::distance(X.begin(),highit);
MantidVec::const_iterator maxY;
// Find the max/min element
if (showMin==true)
{
maxY=std::min_element(Y.begin()+distmin,Y.begin()+distmax);
}
else
{
maxY=std::max_element(Y.begin()+distmin,Y.begin()+distmax);
}
MantidVec::difference_type d=std::distance(Y.begin(),maxY);
// X boundaries for the max/min element
outputWorkspace->dataX(newindex)[0]=*(X.begin()+d);
outputWorkspace->dataX(newindex)[1]=*(X.begin()+d+1); //This is safe since X is of dimension Y+1
outputWorkspace->dataY(newindex)[0]=*maxY;
progress.report();
PARALLEL_END_INTERUPT_REGION
}
PARALLEL_CHECK_INTERUPT_REGION
// Assign it to the output workspace property
setProperty("OutputWorkspace",outputWorkspace);
return;
}
/**
* Initialise the algorithm. Declare properties which can be set before
* execution (input) or
* read from after the execution (output).
*/
void LoadBBY::init() {
// Specify file extensions which can be associated with a specific file.
std::vector<std::string> exts;
// Declare the Filename algorithm property. Mandatory. Sets the path to the
// file to load.
exts.clear();
exts.emplace_back(".tar");
declareProperty(Kernel::make_unique<API::FileProperty>(
FilenameStr, "", API::FileProperty::Load, exts),
"The input filename of the stored data");
// mask
exts.clear();
exts.emplace_back(".xml");
declareProperty(Kernel::make_unique<API::FileProperty>(
MaskStr, "", API::FileProperty::OptionalLoad, exts),
"The input filename of the mask data");
// OutputWorkspace
declareProperty(
Kernel::make_unique<API::WorkspaceProperty<API::IEventWorkspace>>(
"OutputWorkspace", "", Kernel::Direction::Output));
// FilterByTofMin
declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<double>>(
FilterByTofMinStr, 0, Kernel::Direction::Input),
"Optional: To exclude events that do not fall within a range "
"of times-of-flight. "
"This is the minimum accepted value in microseconds. Keep "
"blank to load all events.");
// FilterByTofMax
declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<double>>(
FilterByTofMaxStr, EMPTY_DBL(), Kernel::Direction::Input),
"Optional: To exclude events that do not fall within a range "
"of times-of-flight. "
"This is the maximum accepted value in microseconds. Keep "
"blank to load all events.");
// FilterByTimeStart
declareProperty(
Kernel::make_unique<Kernel::PropertyWithValue<double>>(
FilterByTimeStartStr, 0.0, Kernel::Direction::Input),
"Optional: To only include events after the provided start time, in "
"seconds (relative to the start of the run).");
// FilterByTimeStop
declareProperty(
Kernel::make_unique<Kernel::PropertyWithValue<double>>(
FilterByTimeStopStr, EMPTY_DBL(), Kernel::Direction::Input),
"Optional: To only include events before the provided stop time, in "
"seconds (relative to the start of the run).");
// period and phase
declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<double>>(
PeriodMasterStr, EMPTY_DBL(), Kernel::Direction::Input),
"Optional");
declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<double>>(
PeriodSlaveStr, EMPTY_DBL(), Kernel::Direction::Input),
"Optional");
declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<double>>(
PhaseSlaveStr, EMPTY_DBL(), Kernel::Direction::Input),
"Optional");
std::string grpOptional = "Filters";
setPropertyGroup(FilterByTofMinStr, grpOptional);
setPropertyGroup(FilterByTofMaxStr, grpOptional);
setPropertyGroup(FilterByTimeStartStr, grpOptional);
setPropertyGroup(FilterByTimeStopStr, grpOptional);
std::string grpPhaseCorrection = "Phase Correction";
setPropertyGroup(PeriodMasterStr, grpPhaseCorrection);
setPropertyGroup(PeriodSlaveStr, grpPhaseCorrection);
setPropertyGroup(PhaseSlaveStr, grpPhaseCorrection);
}
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;
}
/** Executes the algorithm
*
* @throw runtime_error Thrown if algorithm cannot execute
*/
void Fit::exec()
{
API::MatrixWorkspace_sptr ws = getProperty("InputWorkspace");
std::string input = "WorkspaceIndex=" + getPropertyValue("WorkspaceIndex");
double startX = getProperty("StartX");
if (startX != EMPTY_DBL())
{
input += ",StartX=" + getPropertyValue("StartX");
}
double endX = getProperty("EndX");
if (endX != EMPTY_DBL())
{
input += ",EndX=" + getPropertyValue("EndX");
}
// Process the Function property and create the function using FunctionFactory
// fills in m_function_input
processParameters();
boost::shared_ptr<GenericFit> fit = boost::dynamic_pointer_cast<GenericFit>(createSubAlgorithm("GenericFit"));
fit->setChild(false);
fit->setLogging(false); // No logging of time to run GenericFit
fit->initialize();
fit->setProperty("InputWorkspace",boost::dynamic_pointer_cast<API::Workspace>(ws));
fit->setProperty("Input",input);
fit->setProperty("Function",m_function_input);
fit->setProperty("Output",getPropertyValue("Output"));
fit->setPropertyValue("MaxIterations",getPropertyValue("MaxIterations"));
fit->setPropertyValue("Minimizer",getPropertyValue("Minimizer"));
fit->setPropertyValue("CostFunction",getPropertyValue("CostFunction"));
fit->execute();
m_function_input = fit->getPropertyValue("Function");
setProperty("Function",m_function_input);
// also output summary to properties
setProperty("OutputStatus", fit->getPropertyValue("OutputStatus"));
double finalCostFuncVal = fit->getProperty("OutputChi2overDoF");
setProperty("OutputChi2overDoF", finalCostFuncVal);
setProperty("Minimizer", fit->getPropertyValue("Minimizer"));
std::vector<double> errors;
if (fit->existsProperty("Parameters"))
{
// Add Parameters, Errors and ParameterNames properties to output so they can be queried on the algorithm.
declareProperty(new ArrayProperty<double> ("Parameters",new NullValidator<std::vector<double> >,Direction::Output));
declareProperty(new ArrayProperty<double> ("Errors",new NullValidator<std::vector<double> >,Direction::Output));
declareProperty(new ArrayProperty<std::string> ("ParameterNames",new NullValidator<std::vector<std::string> >,Direction::Output));
std::vector<double> params = fit->getProperty("Parameters");
errors = fit->getProperty("Errors");
std::vector<std::string> parNames = fit->getProperty("ParameterNames");
setProperty("Parameters",params);
setProperty("Errors",errors);
setProperty("ParameterNames",parNames);
}
std::string output = getProperty("Output");
if (!output.empty())
{
// create output parameter table workspace to store final fit parameters
// including error estimates if derivative of fitting function defined
boost::shared_ptr<API::IFunctionMW> funmw = boost::dynamic_pointer_cast<API::IFunctionMW>(fit->getFunction());
if (funmw)
{
declareProperty(new WorkspaceProperty<>("OutputWorkspace","",Direction::Output),
"Name of the output Workspace holding resulting simlated spectrum");
setPropertyValue("OutputWorkspace",output+"_Workspace");
// Save the fitted and simulated spectra in the output workspace
int workspaceIndex = getProperty("WorkspaceIndex");
if (workspaceIndex < 0) throw std::invalid_argument("WorkspaceIndex must be >= 0");
funmw->setWorkspace(ws,input);
API::MatrixWorkspace_sptr outws = funmw->createCalculatedWorkspace(ws,workspaceIndex,errors);
setProperty("OutputWorkspace",outws);
}
}
}
bool ReadMaterial::isEmpty(const double toCheck) {
return std::abs((toCheck - EMPTY_DBL()) / (EMPTY_DBL())) < 1e-8;
}
/** Executes the algorithm
*
*/
void CalculateEfficiency::exec()
{
// Minimum efficiency. Pixels with lower efficiency will be masked
double min_eff = getProperty("MinEfficiency");
// Maximum efficiency. Pixels with higher efficiency will be masked
double max_eff = getProperty("MaxEfficiency");
// Get the input workspace
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
MatrixWorkspace_sptr rebinnedWS;// = inputWS;
// Now create the output workspace
MatrixWorkspace_sptr outputWS;// = getProperty("OutputWorkspace");
// DataObjects::EventWorkspace_const_sptr inputEventWS = boost::dynamic_pointer_cast<const EventWorkspace>(inputWS);
// Sum up all the wavelength bins
IAlgorithm_sptr childAlg = createChildAlgorithm("Integration", 0.0, 0.2);
childAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", inputWS);
childAlg->executeAsChildAlg();
rebinnedWS = childAlg->getProperty("OutputWorkspace");
outputWS = WorkspaceFactory::Instance().create(rebinnedWS);
WorkspaceFactory::Instance().initializeFromParent(inputWS, outputWS, false);
for (int i=0; i<(int)rebinnedWS->getNumberHistograms(); i++)
{
outputWS->dataX(i) = rebinnedWS->readX(i);
}
setProperty("OutputWorkspace",outputWS);
double sum = 0.0;
double err = 0.0;
int npixels = 0;
// Loop over spectra and sum all the counts to get normalization
// Skip monitors and masked detectors
sumUnmaskedDetectors(rebinnedWS, sum, err, npixels);
// Normalize each detector pixel by the sum we just found to get the
// relative efficiency. If the minimum and maximum efficiencies are
// provided, the pixels falling outside this range will be marked
// as 'masked' in both the input and output workspace.
// We mask detectors in the input workspace so that we can resum the
// counts to find a new normalization factor that takes into account
// the newly masked detectors.
normalizeDetectors(rebinnedWS, outputWS, sum, err, npixels, min_eff, max_eff);
if ( !isEmpty(min_eff) || !isEmpty(max_eff) )
{
// Recompute the normalization, excluding the pixels that were outside
// the acceptable efficiency range.
sumUnmaskedDetectors(rebinnedWS, sum, err, npixels);
// Now that we have a normalization factor that excludes bad pixels,
// recompute the relative efficiency.
// We pass EMPTY_DBL() to avoid masking pixels that might end up high or low
// after the new normalization.
normalizeDetectors(rebinnedWS, outputWS, sum, err, npixels, EMPTY_DBL(), EMPTY_DBL());
}
return;
}
/** Process and check input properties
*/
void IntegratePeaksCWSD::processInputs() {
// Required input workspaces
m_inputWS = getProperty("InputWorkspace");
// Input peaks
std::vector<double> peak_center = getProperty("PeakCentre");
if (peak_center.size() > 0) {
// assigned peak center
if (peak_center.size() != 3)
throw std::invalid_argument("PeakCentre must have 3 elements.");
m_peakCenter.setX(peak_center[0]);
m_peakCenter.setY(peak_center[1]);
m_peakCenter.setZ(peak_center[2]);
// no use input peak workspace
m_haveInputPeakWS = false;
m_useSinglePeakCenterFmUser = true;
} else {
// use input peak workspace
std::string peakWSName = getPropertyValue("PeaksWorkspace");
if (peakWSName.length() == 0)
throw std::invalid_argument("It is not allowed that neither peak center "
"nor PeaksWorkspace is specified.");
m_peaksWS = getProperty("PeaksWorkspace");
m_haveInputPeakWS = true;
m_useSinglePeakCenterFmUser = false;
}
m_doMergePeak = getProperty("MergePeaks");
if (m_haveInputPeakWS && m_peaksWS->getNumberPeaks() > 1 && m_doMergePeak) {
throw std::invalid_argument(
"It is not allowed to merge peaks when there are "
"multiple peaks present in PeaksWorkspace.");
}
m_normalizeByMonitor = getProperty("NormalizeByMonitor");
m_normalizeByTime = getProperty("NormalizeByTime");
if (m_normalizeByMonitor && m_normalizeByTime)
throw std::invalid_argument(
"It is not allowed to select to be normalized both "
"by time and by monitor counts.");
if (m_doMergePeak && !(m_normalizeByMonitor || m_normalizeByTime)) {
throw std::invalid_argument(
"Either being normalized by time or being normalized "
"by monitor must be selected if merge-peak is selected.");
}
m_scaleFactor = getProperty("ScaleFactor");
// monitor counts
if (m_normalizeByMonitor)
m_runNormMap = getMonitorCounts();
else if (m_normalizeByTime)
m_runNormMap = getMeasureTime();
// go through peak
if (m_haveInputPeakWS)
getPeakInformation();
if (m_runPeakCenterMap.size() > 1)
m_haveMultipleRun = true;
else
m_haveMultipleRun = false;
// peak related
m_peakRadius = getProperty("PeakRadius");
if (m_peakRadius == EMPTY_DBL()) {
throw std::invalid_argument("Peak radius cannot be left empty.");
}
// optional mask workspace
std::string maskwsname = getPropertyValue("MaskWorkspace");
if (maskwsname.size() > 0) {
// process mask workspace
m_maskDets = true;
m_maskWS = getProperty("MaskWorkspace");
vecMaskedDetID = processMaskWorkspace(m_maskWS);
} else {
m_maskDets = false;
}
}
/**
* @brief declare commonattributes Q and WorkspaceIndex.
* Subclasses containing additional attributes should override this method by
* declaring the additional
* attributes and then calling the parent (this) method to declare Q and
* WorkspaceIndex.
*/
void FunctionQDepends::declareAttributes() {
this->declareAttribute("Q", Attr(EMPTY_DBL()));
this->declareAttribute("WorkspaceIndex", Attr(EMPTY_INT()));
}
//--------------------------------------------------------------------------
// Public member functions
//--------------------------------------------------------------------------
DetectorDiagnostic::DetectorDiagnostic() :
API::Algorithm(), m_fracDone(0.0), m_TotalTime(RTTotal), m_parents(0),
m_progStepWidth(0.0), m_minIndex(0), m_maxIndex(EMPTY_INT()),
m_rangeLower(EMPTY_DBL()), m_rangeUpper(EMPTY_DBL())
{
}
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
}
}
// Get the parameter map
const ParameterMap& pmap = outputWS->constInstrumentParameters();
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())
{
try
{
Parameter_sptr par = pmap.getRecursive(det.get(),"Efixed");
if (par)
{
Efi = par->value<double>();
g_log.debug() << "Detector: " << det->getID() << " EFixed: " << Efi << "\n";
}
}
catch (std::runtime_error&) { /* Throws if a DetectorGroup, use single provided value */ }
}
}
catch(std::runtime_error&) { g_log.information() << "Workspace Index " << 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);
/* no break */
// 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 ;
}
}