/**
* Register a workspace in the Analysis Data Service and add it to the
* groupWorkspace
* @param gws pointer to WorkspaceGroup being filled
* @param wsName name of workspace to be added and registered
* @param ws pointer to workspace to be added and registered
* @param description
*/
void LoadSassena::registerWorkspace(API::WorkspaceGroup_sptr gws,
const std::string wsName,
DataObjects::Workspace2D_sptr ws,
const std::string &description) {
UNUSED_ARG(description);
API::AnalysisDataService::Instance().add(wsName, ws);
gws->addWorkspace(ws);
}
/**
* Create the output workspace group.
* @param baseName :: The base name for the output workspace. Suffix "Workspace"
* will be added to it.
* @param function :: A function to calculate the values. Must be of the
* MultiDomainFunction type.
* @param domain :: Domain created earlier with this creator (unused)
* @param values :: Values created earlier with this creator (unused)
* @param outputWorkspacePropertyName :: Name for the property to hold the
* output workspace. If
* empty the property won't be created.
* @return A shared pointer to the created workspace.
*/
boost::shared_ptr<API::Workspace> MultiDomainCreator::createOutputWorkspace(
const std::string &baseName, API::IFunction_sptr function,
boost::shared_ptr<API::FunctionDomain> domain,
boost::shared_ptr<API::FunctionValues> values,
const std::string &outputWorkspacePropertyName) {
UNUSED_ARG(domain);
UNUSED_ARG(values);
auto mdFunction =
boost::dynamic_pointer_cast<API::MultiDomainFunction>(function);
if (!mdFunction) {
throw std::runtime_error("A MultiDomainFunction is expected to be used "
"with MultiDomainCreator.");
}
// split the function into independent parts
std::vector<API::IFunction_sptr> functions =
mdFunction->createEquivalentFunctions();
// there must be as many parts as there are domains
if (functions.size() != m_creators.size()) {
throw std::runtime_error("Number of functions and domains don't match");
}
API::WorkspaceGroup_sptr outWS =
API::WorkspaceGroup_sptr(new API::WorkspaceGroup());
for (size_t i = 0; i < functions.size(); ++i) {
std::string localName =
baseName + "Workspace_" + boost::lexical_cast<std::string>(i);
auto fun = functions[i];
auto creator = m_creators[i];
boost::shared_ptr<API::FunctionDomain> localDomain;
boost::shared_ptr<API::FunctionValues> localValues;
fun->setUpForFit();
creator->createDomain(localDomain, localValues);
creator->initFunction(fun);
auto ws = creator->createOutputWorkspace(localName, fun, localDomain,
localValues, "");
API::AnalysisDataService::Instance().addOrReplace(localName, ws);
outWS->addWorkspace(ws);
}
if (!outputWorkspacePropertyName.empty()) {
declareProperty(
new API::WorkspaceProperty<API::WorkspaceGroup>(
outputWorkspacePropertyName, "", Kernel::Direction::Output),
"Name of the output Workspace holding resulting simulated spectrum");
m_manager->setPropertyValue(outputWorkspacePropertyName,
baseName + "Workspaces");
m_manager->setProperty(outputWorkspacePropertyName, outWS);
}
return outWS;
}
/** Fits each spectrum in the workspace to f(x) = A * sin( w * x + p)
* @param ws :: [input] The workspace to fit
* @param freq :: [input] Hint for the frequency (w)
* @param groupName :: [input] The name of the output workspace group
* @param resTab :: [output] Table workspace storing the asymmetries and phases
* @param resGroup :: [output] Workspace group storing the fitting results
*/
void CalMuonDetectorPhases::fitWorkspace(const API::MatrixWorkspace_sptr &ws,
double freq, std::string groupName,
API::ITableWorkspace_sptr &resTab,
API::WorkspaceGroup_sptr &resGroup) {
int nhist = static_cast<int>(ws->getNumberHistograms());
// Create the fitting function f(x) = A * sin ( w * x + p )
// The same function and initial parameters are used for each fit
std::string funcStr = createFittingFunction(freq, true);
// Set up results table
resTab->addColumn("int", "Spectrum number");
resTab->addColumn("double", "Asymmetry");
resTab->addColumn("double", "Phase");
// Loop through fitting all spectra individually
const static std::string success = "success";
for (int wsIndex = 0; wsIndex < nhist; wsIndex++) {
reportProgress(wsIndex, nhist);
auto fit = createChildAlgorithm("Fit");
fit->initialize();
fit->setPropertyValue("Function", funcStr);
fit->setProperty("InputWorkspace", ws);
fit->setProperty("WorkspaceIndex", wsIndex);
fit->setProperty("CreateOutput", true);
fit->setPropertyValue("Output", groupName);
fit->execute();
std::string status = fit->getProperty("OutputStatus");
if (!fit->isExecuted() || status != success) {
std::ostringstream error;
error << "Fit failed for spectrum at workspace index " << wsIndex;
error << ": " << status;
throw std::runtime_error(error.str());
}
API::MatrixWorkspace_sptr fitOut = fit->getProperty("OutputWorkspace");
resGroup->addWorkspace(fitOut);
API::ITableWorkspace_sptr tab = fit->getProperty("OutputParameters");
// Now we have our fitting results stored in tab
// but we need to extract the relevant information, i.e.
// the detector phases (parameter 'p') and asymmetries ('A')
const auto &spectrum = ws->getSpectrum(static_cast<size_t>(wsIndex));
extractDetectorInfo(tab, resTab, spectrum.getSpectrumNo());
}
}
/** Fits each spectrum in the workspace to f(x) = A * sin( w * x + p)
* @param ws :: [input] The workspace to fit
* @param freq :: [input] Hint for the frequency (w)
* @param groupName :: [input] The name of the output workspace group
* @param resTab :: [output] Table workspace storing the asymmetries and phases
* @param resGroup :: [output] Workspace group storing the fitting results
*/
void CalMuonDetectorPhases::fitWorkspace(const API::MatrixWorkspace_sptr &ws,
double freq, std::string groupName,
API::ITableWorkspace_sptr resTab,
API::WorkspaceGroup_sptr &resGroup) {
int nhist = static_cast<int>(ws->getNumberHistograms());
// Create the fitting function f(x) = A * sin ( w * x + p )
// The same function and initial parameters are used for each fit
std::string funcStr = createFittingFunction(freq, true);
// Set up results table
resTab->addColumn("int", "Spectrum number");
resTab->addColumn("double", "Asymmetry");
resTab->addColumn("double", "Phase");
const auto &indexInfo = ws->indexInfo();
// Loop through fitting all spectra individually
const static std::string success = "success";
for (int wsIndex = 0; wsIndex < nhist; wsIndex++) {
reportProgress(wsIndex, nhist);
const auto &yValues = ws->y(wsIndex);
auto emptySpectrum = std::all_of(yValues.begin(), yValues.end(),
[](double value) { return value == 0.; });
if (emptySpectrum) {
g_log.warning("Spectrum " + std::to_string(wsIndex) + " is empty");
TableWorkspace_sptr tab = boost::make_shared<TableWorkspace>();
tab->addColumn("str", "Name");
tab->addColumn("double", "Value");
tab->addColumn("double", "Error");
for (int j = 0; j < 4; j++) {
API::TableRow row = tab->appendRow();
if (j == PHASE_ROW) {
row << "dummy" << 0.0 << 0.0;
} else {
row << "dummy" << ASYMM_ERROR << 0.0;
}
}
extractDetectorInfo(*tab, *resTab, indexInfo.spectrumNumber(wsIndex));
} else {
auto fit = createChildAlgorithm("Fit");
fit->initialize();
fit->setPropertyValue("Function", funcStr);
fit->setProperty("InputWorkspace", ws);
fit->setProperty("WorkspaceIndex", wsIndex);
fit->setProperty("CreateOutput", true);
fit->setPropertyValue("Output", groupName);
fit->execute();
std::string status = fit->getProperty("OutputStatus");
if (!fit->isExecuted()) {
std::ostringstream error;
error << "Fit failed for spectrum at workspace index " << wsIndex;
error << ": " << status;
throw std::runtime_error(error.str());
} else if (status != success) {
g_log.warning("Fit failed for spectrum at workspace index " +
std::to_string(wsIndex) + ": " + status);
}
API::MatrixWorkspace_sptr fitOut = fit->getProperty("OutputWorkspace");
resGroup->addWorkspace(fitOut);
API::ITableWorkspace_sptr tab = fit->getProperty("OutputParameters");
// Now we have our fitting results stored in tab
// but we need to extract the relevant information, i.e.
// the detector phases (parameter 'p') and asymmetries ('A')
extractDetectorInfo(*tab, *resTab, indexInfo.spectrumNumber(wsIndex));
}
}
}
