/**
* This function: 1. loads the instrument and gets the value of deltaE-mode parameter
* 2. Based on this value, makes the necessary changes to the form setup (direct or indirect).
* @param name :: name of the instrument from the QComboBox
*/
void IndirectDataReduction::instrumentSelectChanged(const QString& name)
{
QString defFile = (Mantid::API::ExperimentInfo::getInstrumentFilename(name.toStdString())).c_str();
if((defFile == "") || !m_uiForm.cbInst->isVisible())
{
g_log.error("Instument loading failed!");
m_uiForm.cbInst->setEnabled(true);
m_uiForm.pbRun->setEnabled(true);
return;
}
QString outWS = "__empty_" + m_uiForm.cbInst->currentText();
m_curInterfaceSetup = name;
//Load the empty instrument into the workspace __empty_[name]
//This used to be done in Python
Mantid::API::IAlgorithm_sptr instLoader = Mantid::API::AlgorithmManager::Instance().create("LoadEmptyInstrument", -1);
instLoader->initialize();
instLoader->setProperty("Filename", defFile.toStdString());
instLoader->setProperty("OutputWorkspace", outWS.toStdString());
//Ensure no other algorithm is running
m_algRunner->cancelRunningAlgorithm();
m_algRunner->startAlgorithm(instLoader);
}
/** Run any algorithm with a variable number of parameters
*
* @param algorithmName
* @param count :: number of arguments given.
* @return the algorithm created
*/
IAlgorithm_sptr FrameworkManagerImpl::exec(const std::string& algorithmName, int count, ...)
{
// Create the algorithm
Mantid::API::IAlgorithm_sptr alg;
alg = Mantid::API::AlgorithmManager::Instance().createUnmanaged(algorithmName, -1);
alg->initialize();
if (!alg->isInitialized())
throw std::runtime_error(algorithmName + " was not initialized.");
if (count % 2 == 1)
{
throw std::runtime_error("Must have an even number of parameter/value string arguments");
}
va_list Params;
va_start(Params, count);
for(int i = 0; i < count; i += 2 )
{
std::string paramName = va_arg(Params, const char *);
std::string paramValue = va_arg(Params, const char *);
alg->setPropertyValue(paramName, paramValue);
}
va_end(Params);
alg->execute();
return alg;
}
void WorkspacePresenter::ungroupWorkspaces() {
auto view = lockView();
auto selected = view->getSelectedWorkspaceNames();
if (selected.size() == 0) {
view->showCriticalUserMessage("Error Ungrouping Workspaces",
"Select a group workspace to Ungroup.");
return;
}
try {
// workspace name
auto wsname = selected[0];
std::string algName("UnGroupWorkspace");
Mantid::API::IAlgorithm_sptr alg =
Mantid::API::AlgorithmManager::Instance().create(algName, -1);
alg->initialize();
alg->setProperty("InputWorkspace", wsname);
// execute the algorithm
bool bStatus = alg->execute();
if (!bStatus) {
view->showCriticalUserMessage("MantidPlot - Algorithm error",
" Error in UnGroupWorkspace algorithm");
}
} catch (...) {
view->showCriticalUserMessage("MantidPlot - Algorithm error",
" Error in UnGroupWorkspace algorithm");
}
}
/** This method executes the ListInstruments algorithm
* and fills the instrument box with instrument lists returned by ICat API
* @return shared pointer to workspace which contains instrument names
*/
std::vector<std::string> ICatUtils::executeListInstruments()
{
QString algName("CatalogListInstruments");
const int version=-1;
Mantid::API::IAlgorithm_sptr alg;
try
{
alg = Mantid::API::AlgorithmManager::Instance().create(algName.toStdString(),version);
}
catch(...)
{
throw std::runtime_error("Error when Populating the instrument list box");
}
Poco::ActiveResult<bool> result(alg->executeAsync());
while( !result.available() )
{
QCoreApplication::processEvents();
}
if(!alg->isExecuted())
{
//if the algorithm failed check the session id passed is valid
if(!isSessionValid(alg))
{
//at this point session is invalid, popup loginbox to login
if(login())
{
//now populate instrument box
std::vector<std::string> instruments =executeListInstruments();
return instruments;
}
else
{
throw std::runtime_error("Please Login to the information catalog using the login menu provided to do the investigation search.");
}
}
else
{
return std::vector<std::string>();
}
}
std::vector<std::string>instrlist;
try
{
instrlist= alg->getProperty("InstrumentList");
}
catch (Mantid::Kernel::Exception::NotFoundError&)
{
throw;
}
return instrlist;
}
/** Add a new algorithm to the list monitored
*
* @param alg :: algorithm to monitor.
*/
void AlgorithmMonitor::add(Mantid::API::IAlgorithm_sptr alg) {
lock();
alg->addObserver(m_finishedObserver);
alg->addObserver(m_errorObserver);
alg->addObserver(m_progressObserver);
m_algorithms.push_back(alg->getAlgorithmID());
++m_nRunning;
emit algorithmStarted(alg->getAlgorithmID());
emit countChanged();
unlock();
}
/// execute getdatafIles algorithm
ITableWorkspace_sptr ICatInvestigation::executeGetdataFiles()
{
QString algName("CatalogGetDataFiles");
const int version=1;
Mantid::API::ITableWorkspace_sptr ws_sptr;
Mantid::API::IAlgorithm_sptr alg;
try
{
alg = Mantid::API::AlgorithmManager::Instance().create(algName.toStdString(),version);
}
catch(...)
{
throw std::runtime_error("Error when loading the data files associated to the selected investigation ");
}
try
{
alg->setProperty("InvestigationId",m_invstId);
alg->setProperty("FilterLogFiles",isDataFilesChecked());
alg->setPropertyValue("OutputWorkspace","datafiles");
}
catch(std::invalid_argument& e)
{
emit error(e.what());
return ws_sptr;
}
catch (Mantid::Kernel::Exception::NotFoundError& e)
{
emit error(e.what());
return ws_sptr;
}
try
{
Poco::ActiveResult<bool> result(alg->executeAsync());
while( !result.available() )
{
QCoreApplication::processEvents();
}
}
catch(...)
{
return ws_sptr;
}
if(AnalysisDataService::Instance().doesExist("datafiles"))
{
ws_sptr = boost::dynamic_pointer_cast<Mantid::API::ITableWorkspace>
(AnalysisDataService::Instance().retrieve("datafiles"));
}
return ws_sptr;
}
/**
* Execute the given algorithm asynchronously.
* @param algorithm :: The algorithm to execute.
*/
void CatalogHelper::executeAsynchronously(
const Mantid::API::IAlgorithm_sptr &algorithm) {
Poco::ActiveResult<bool> result(algorithm->executeAsync());
while (!result.available()) {
QCoreApplication::processEvents();
}
}
/**
Upadates the non-default algorithm properties in the history.
@param alg :: Pointer to the algorthm
*/
void InputHistoryImpl::updateAlgorithm(Mantid::API::IAlgorithm_sptr alg)
{
const std::vector< Property* >& props = alg->getProperties();
QList< PropertyData > prop_hist_list;
for(std::vector< Property* >::const_iterator prop=props.begin();prop!=props.end();++prop)
if (!(*prop)->isDefault())
{
PropertyData prop_hist(QString::fromStdString((*prop)->name()),QString::fromStdString((*prop)->value()));
prop_hist_list.push_back(prop_hist);
}
else
{
PropertyData prop_hist(QString::fromStdString((*prop)->name()),"");
prop_hist_list.push_back(prop_hist);
}
m_history[QString::fromStdString(alg->name())] = prop_hist_list;
}
void ConvFit::setupFit(Mantid::API::IAlgorithm_sptr fitAlgorithm) {
if (boolSettingValue("UseTempCorrection"))
m_convFittingModel->setTemperature(doubleSettingValue("TempCorrection"));
else
m_convFittingModel->setTemperature(boost::none);
fitAlgorithm->setProperty("ExtractMembers",
boolSettingValue("ExtractMembers"));
IndirectFitAnalysisTab::setupFit(fitAlgorithm);
}
/**
* Create a list of file extensions from the given algorithm
* @param algName :: The name of the algorithm
* @param propName :: The name of the property
* @returns A list of file extensions
*/
QStringList
MWRunFiles::getFileExtensionsFromAlgorithm(const QString &algName,
const QString &propName) {
Mantid::API::IAlgorithm_sptr algorithm =
Mantid::API::AlgorithmManager::Instance().createUnmanaged(
algName.toStdString());
QStringList fileExts;
if (!algorithm)
return fileExts;
algorithm->initialize();
Property *prop = algorithm->getProperty(propName.toStdString());
FileProperty *fileProp = dynamic_cast<FileProperty *>(prop);
MultipleFileProperty *multiFileProp =
dynamic_cast<MultipleFileProperty *>(prop);
std::vector<std::string> allowed;
QString preferredExt;
if (fileProp) {
allowed = fileProp->allowedValues();
preferredExt = QString::fromStdString(fileProp->getDefaultExt());
} else if (multiFileProp) {
allowed = multiFileProp->allowedValues();
preferredExt = QString::fromStdString(multiFileProp->getDefaultExt());
} else {
return fileExts;
}
std::vector<std::string>::const_iterator iend = allowed.end();
int index(0);
for (std::vector<std::string>::const_iterator it = allowed.begin();
it != iend; ++it) {
if (!it->empty()) {
QString ext = QString::fromStdString(*it);
fileExts.append(ext);
if (ext == preferredExt) {
fileExts.move(index, 0);
}
++index;
}
}
return fileExts;
}
/**
* Set the "search" properties to their related input fields.
* @param catalogAlgorithm :: Algorithm to set the search properties for.
* @param userInputFields :: The search properties to set against the algorithm.
*/
void CatalogHelper::setSearchProperties(const Mantid::API::IAlgorithm_sptr &catalogAlgorithm,
const std::map<std::string, std::string> &userInputFields)
{
// This will be the workspace where the content of the search result is output to.
catalogAlgorithm->setProperty("OutputWorkspace", "__searchResults");
// Iterate over the provided map of user input fields. For each field that isn't empty (e.g. a value was input by the user)
// then we will set the algorithm property with the key and value of that specific value.
for (auto it = userInputFields.begin(); it != userInputFields.end(); it++)
{
std::string value = it->second;
// If the user has input any search terms.
if (!value.empty())
{
// Set the property that the search algorithm uses to: (key => FieldName, value => FieldValue) (e.g., (Keywords, bob))
catalogAlgorithm->setProperty(it->first, value);
}
}
}
/**
* Plus two workspaces together, "in place".
*
* @param ws1 :: The first workspace.
* @param ws2 :: The second workspace.
*
* @returns a pointer to the result (the first workspace).
*/
API::Workspace_sptr Load::plusWs(Workspace_sptr ws1, Workspace_sptr ws2) {
WorkspaceGroup_sptr group1 = boost::dynamic_pointer_cast<WorkspaceGroup>(ws1);
WorkspaceGroup_sptr group2 = boost::dynamic_pointer_cast<WorkspaceGroup>(ws2);
if (group1 && group2) {
// If we're dealing with groups, then the child workspaces must be added
// separately - setProperty
// wont work otherwise.
std::vector<std::string> group1ChildWsNames = group1->getNames();
std::vector<std::string> group2ChildWsNames = group2->getNames();
if (group1ChildWsNames.size() != group2ChildWsNames.size())
throw std::runtime_error("Unable to add group workspaces with different "
"number of child workspaces.");
auto group1ChildWsName = group1ChildWsNames.begin();
auto group2ChildWsName = group2ChildWsNames.begin();
for (; group1ChildWsName != group1ChildWsNames.end();
++group1ChildWsName, ++group2ChildWsName) {
Workspace_sptr group1ChildWs = group1->getItem(*group1ChildWsName);
Workspace_sptr group2ChildWs = group2->getItem(*group2ChildWsName);
Mantid::API::IAlgorithm_sptr plusAlg = createChildAlgorithm("Plus", 1);
plusAlg->setProperty<Workspace_sptr>("LHSWorkspace", group1ChildWs);
plusAlg->setProperty<Workspace_sptr>("RHSWorkspace", group2ChildWs);
plusAlg->setProperty<Workspace_sptr>("OutputWorkspace", group1ChildWs);
plusAlg->executeAsChildAlg();
}
} else if (!group1 && !group2) {
Mantid::API::IAlgorithm_sptr plusAlg = createChildAlgorithm("Plus", 1);
plusAlg->setProperty<Workspace_sptr>("LHSWorkspace", ws1);
plusAlg->setProperty<Workspace_sptr>("RHSWorkspace", ws2);
plusAlg->setProperty<Workspace_sptr>("OutputWorkspace", ws1);
plusAlg->executeAsChildAlg();
} else {
throw std::runtime_error(
"Unable to add a group workspace to a non-group workspace");
}
return ws1;
}
/**
* Set the algorithm pointer
* @param alg :: A pointer to the algorithm
*/
void AlgorithmDialog::setAlgorithm(Mantid::API::IAlgorithm_sptr alg) {
m_algorithm = alg;
m_algName = QString::fromStdString(alg->name());
m_algProperties.clear();
m_tied_properties.clear();
std::vector<Mantid::Kernel::Property *>::const_iterator iend =
alg->getProperties().end();
for (std::vector<Mantid::Kernel::Property *>::const_iterator itr =
alg->getProperties().begin();
itr != iend; ++itr) {
Mantid::Kernel::Property *p = *itr;
if (dynamic_cast<Mantid::API::IWorkspaceProperty *>(p) ||
p->direction() != Mantid::Kernel::Direction::Output) {
m_algProperties.append(QString::fromStdString(p->name()));
}
}
m_validators.clear();
m_noValidation.clear();
}
/**
@param inname Name of workspace containing peaks
@param params optimized cell parameters
@param out residuals from optimization
*/
void OptimizeLatticeForCellType::optLattice(std::string inname,
std::vector<double> ¶ms,
double *out) {
PeaksWorkspace_sptr ws = boost::dynamic_pointer_cast<PeaksWorkspace>(
AnalysisDataService::Instance().retrieve(inname));
const std::vector<Peak> &peaks = ws->getPeaks();
size_t n_peaks = ws->getNumberPeaks();
std::vector<V3D> q_vector;
std::vector<V3D> hkl_vector;
for (size_t i = 0; i < params.size(); i++)
params[i] = std::abs(params[i]);
for (size_t i = 0; i < n_peaks; i++) {
q_vector.push_back(peaks[i].getQSampleFrame());
hkl_vector.push_back(peaks[i].getHKL());
}
Mantid::API::IAlgorithm_sptr alg = createChildAlgorithm("CalculateUMatrix");
alg->setPropertyValue("PeaksWorkspace", inname);
alg->setProperty("a", params[0]);
alg->setProperty("b", params[1]);
alg->setProperty("c", params[2]);
alg->setProperty("alpha", params[3]);
alg->setProperty("beta", params[4]);
alg->setProperty("gamma", params[5]);
alg->executeAsChildAlg();
ws = alg->getProperty("PeaksWorkspace");
OrientedLattice latt = ws->mutableSample().getOrientedLattice();
DblMatrix UB = latt.getUB();
DblMatrix A = aMatrix(params);
DblMatrix Bc = A;
Bc.Invert();
DblMatrix U1_B1 = UB * A;
OrientedLattice o_lattice;
o_lattice.setUB(U1_B1);
DblMatrix U1 = o_lattice.getU();
DblMatrix U1_Bc = U1 * Bc;
for (size_t i = 0; i < hkl_vector.size(); i++) {
V3D error = U1_Bc * hkl_vector[i] - q_vector[i] / (2.0 * M_PI);
out[i] = error.norm2();
}
return;
}
bool ICatUtils::isSessionValid(const Mantid::API::IAlgorithm_sptr& alg)
{
try
{
return alg->getProperty("IsValid");
}
catch (Mantid::Kernel::Exception::NotFoundError&)
{
throw;
}
}
/**
* Loads a file into a *hidden* workspace.
*
* @param fileName :: file name to load.
* @param wsName :: workspace name, which will be prefixed by a "__"
*
* @returns a pointer to the loaded workspace
*/
API::Workspace_sptr Load::loadFileToWs(const std::string &fileName,
const std::string &wsName) {
Mantid::API::IAlgorithm_sptr loadAlg = createChildAlgorithm("Load", 1);
// Get the list properties for the concrete loader load algorithm
const std::vector<Kernel::Property *> &props = getProperties();
// Loop through and set the properties on the Child Algorithm
for (auto prop : props) {
const std::string &propName = prop->name();
if (this->existsProperty(propName)) {
if (propName == "Filename") {
loadAlg->setPropertyValue("Filename", fileName);
} else if (propName == "OutputWorkspace") {
loadAlg->setPropertyValue("OutputWorkspace", wsName);
} else {
loadAlg->setPropertyValue(propName, getPropertyValue(propName));
}
}
}
loadAlg->executeAsChildAlg();
Workspace_sptr ws = loadAlg->getProperty("OutputWorkspace");
// ws->setName(wsName);
AnalysisDataService::Instance().addOrReplace(wsName, ws);
return ws;
}
/**
* Runs an algorithm async
*
* @param algorithm :: The algorithm to be run
*/
void IndirectTab::runAlgorithm(const Mantid::API::IAlgorithm_sptr algorithm) {
algorithm->setRethrows(true);
// There should never really be unexecuted algorithms in the queue, but it is
// worth warning in case of possible weirdness
size_t batchQueueLength = m_batchAlgoRunner->queueLength();
if (batchQueueLength > 0)
g_log.warning() << "Batch queue already contains " << batchQueueLength
<< " algorithms!\n";
m_batchAlgoRunner->addAlgorithm(algorithm);
m_batchAlgoRunner->executeBatchAsync();
}
bool ICatUtils::login()
{
QString algName("CatalogLogin");
const int version =-1;
Mantid::API::IAlgorithm_sptr alg;
try
{
alg = Mantid::API::AlgorithmManager::Instance().create(algName.toStdString(),version);
}
catch(...)
{
throw std::runtime_error("Error when Populating the instrument list box");
}
if(!m_applicationWindow)
{return false;}
MantidQt::API::InterfaceManager interfaceManager;
MantidQt::API::AlgorithmDialog *dlg = interfaceManager.createDialog(alg.get(), m_applicationWindow);
if(!dlg) return false;
if(dlg->exec()==QDialog::Accepted)
{
delete dlg;
Poco::ActiveResult<bool> result(alg->executeAsync());
while( !result.available() )
{
QCoreApplication::processEvents();
}
if(!alg->isExecuted())
{
return false;
}
return true;
}
else
{
return false;
}
}
/**
* Sorts the peak workspace by a specified column name in ascending or
* descending order.
* @param byColumnName The column by which the workspace is to be sorted.
* @param ascending If the workspace is to be sorted in a ascending or
* descending manner.
*/
void ConcretePeaksPresenterVsi::sortPeaksWorkspace(
const std::string &byColumnName, const bool ascending) {
Mantid::API::IPeaksWorkspace_sptr peaksWS =
boost::const_pointer_cast<Mantid::API::IPeaksWorkspace>(
this->m_peaksWorkspace);
// Sort the Peaks in-place.
Mantid::API::IAlgorithm_sptr alg =
Mantid::API::AlgorithmManager::Instance().create("SortPeaksWorkspace");
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("InputWorkspace", peaksWS);
alg->setPropertyValue("OutputWorkspace", "SortedPeaksWorkspace");
alg->setProperty("OutputWorkspace", peaksWS);
alg->setProperty("SortAscending", ascending);
alg->setPropertyValue("ColumnNameToSortBy", byColumnName);
alg->execute();
}
void WorkspacePresenter::groupWorkspaces() {
auto view = lockView();
auto selected = view->getSelectedWorkspaceNames();
std::string groupName("NewGroup");
// get selected workspaces
if (selected.size() < 2) {
view->showCriticalUserMessage("Cannot Group Workspaces",
"Select at least two workspaces to group ");
return;
}
if (m_adapter->doesWorkspaceExist(groupName)) {
if (!view->askUserYesNo("",
"Workspace " + groupName +
" already exists. Do you want to replace it?"))
return;
}
try {
std::string algName("GroupWorkspaces");
Mantid::API::IAlgorithm_sptr alg =
Mantid::API::AlgorithmManager::Instance().create(algName, -1);
alg->initialize();
alg->setProperty("InputWorkspaces", selected);
alg->setPropertyValue("OutputWorkspace", groupName);
// execute the algorithm
bool bStatus = alg->execute();
if (!bStatus) {
view->showCriticalUserMessage("MantidPlot - Algorithm error",
" Error in GroupWorkspaces algorithm");
}
} catch (...) {
view->showCriticalUserMessage("MantidPlot - Algorithm error",
" Error in GroupWorkspaces algorithm");
}
}
/**
* Create a list of files from the given algorithm property.
*/
void FindFilesThread::getFilesFromAlgorithm() {
Mantid::API::IAlgorithm_sptr algorithm =
Mantid::API::AlgorithmManager::Instance().createUnmanaged(
m_algorithm.toStdString());
if (!algorithm)
throw std::invalid_argument("Cannot create algorithm " +
m_algorithm.toStdString() + ".");
algorithm->initialize();
const std::string propName = m_property.toStdString();
algorithm->setProperty(propName, m_text);
Property *prop = algorithm->getProperty(propName);
m_valueForProperty = QString::fromStdString(prop->value());
FileProperty *fileProp = dynamic_cast<FileProperty *>(prop);
MultipleFileProperty *multiFileProp =
dynamic_cast<MultipleFileProperty *>(prop);
if (fileProp) {
m_filenames.push_back(fileProp->value());
} else if (multiFileProp) {
// This flattens any summed files to a set of single files so that you lose
// the information about
// what was summed
std::vector<std::vector<std::string>> filenames =
algorithm->getProperty(propName);
std::vector<std::string> flattenedNames =
VectorHelper::flattenVector(filenames);
for (auto filename = flattenedNames.begin();
filename != flattenedNames.end(); ++filename) {
m_filenames.push_back(*filename);
}
}
}
/**
* Execute the underlying algorithm
*/
void AlgorithmDialog::executeAlgorithmAsync() {
Mantid::API::IAlgorithm_sptr algToExec = m_algorithm;
// Clear any previous trackers so we know what state we are in
this->stopObserving(algToExec);
try {
// Add any custom AlgorithmObservers to the algorithm
for (auto it = m_observers.begin(); it != m_observers.end(); ++it) {
(*it)->observeAll(algToExec);
}
// Only need to observe finish events if we are staying open
if (m_keepOpenCheckBox && m_keepOpenCheckBox->isChecked()) {
this->observeFinish(algToExec);
this->observeError(algToExec);
m_statusTracked = true;
// Disable close button for a short period. If it is clicked to soon then
// Mantid crashes - https://github.com/mantidproject/mantid/issues/13836
if (m_exitButton) {
m_exitButton->setEnabled(false);
m_btnTimer.setInterval(1000);
connect(&m_btnTimer, SIGNAL(timeout()), this, SLOT(enableExitButton()));
} else {
m_statusTracked = false;
}
}
algToExec->executeAsync();
m_btnTimer.start();
if (m_okButton) {
m_okButton->setEnabled(false);
}
} catch (Poco::NoThreadAvailableException &) {
g_log.error() << "No thread was available to run the " << algToExec->name()
<< " algorithm in the background.\n";
}
}
/** Make a (optionally) file backed MDEventWorkspace with nEvents fake data points
* the points are randomly distributed within the box (nEvents>0) or homoheneously and regularly spread through the box (nEvents<0)
*
* @param wsName :: name of the workspace in ADS
* @param fileBacked :: true for file-backed
* @param numEvents :: number of events in the target workspace distributed randomly if numEvents>0 or regularly & homogeneously if numEvents<0
* @return MDEW sptr
*/
MDEventWorkspace3Lean::sptr makeFileBackedMDEW(std::string wsName, bool fileBacked,long numEvents)
{
// ---------- Make a file-backed MDEventWorkspace -----------------------
std::string snEvents = boost::lexical_cast<std::string>(numEvents);
MDEventWorkspace3Lean::sptr ws1 = MDEventsTestHelper::makeMDEW<3>(10, 0.0, 10.0, 0);
ws1->getBoxController()->setSplitThreshold(100);
Mantid::API::AnalysisDataService::Instance().addOrReplace(wsName,
boost::dynamic_pointer_cast< Mantid::API::IMDEventWorkspace>(ws1));
FrameworkManager::Instance().exec("FakeMDEventData", 6,
"InputWorkspace", wsName.c_str(),
"UniformParams", snEvents.c_str(), "RandomizeSignal", "1");
if (fileBacked)
{
std::string filename = wsName + ".nxs";
Mantid::API::IAlgorithm_sptr saver = FrameworkManager::Instance().exec("SaveMD", 4,
"InputWorkspace", wsName.c_str(),
"Filename", filename.c_str());
FrameworkManager::Instance().exec("LoadMD", 8,
"OutputWorkspace", wsName.c_str(),
"Filename", saver->getPropertyValue("Filename").c_str(),
"FileBackEnd", "1", "Memory", "0");
}
return boost::dynamic_pointer_cast<MDEventWorkspace3Lean>( Mantid::API::AnalysisDataService::Instance().retrieve(wsName) );
}
void ConcretePeaksPresenter::sortPeaksWorkspace(const std::string &byColumnName,
const bool ascending) {
Mantid::API::IPeaksWorkspace_sptr peaksWS =
boost::const_pointer_cast<Mantid::API::IPeaksWorkspace>(this->m_peaksWS);
// Sort the Peaks in-place.
Mantid::API::IAlgorithm_sptr alg =
AlgorithmManager::Instance().create("SortPeaksWorkspace");
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("InputWorkspace", peaksWS);
alg->setPropertyValue("OutputWorkspace", "SortedPeaksWorkspace");
alg->setProperty("OutputWorkspace", peaksWS);
alg->setProperty("SortAscending", ascending);
alg->setPropertyValue("ColumnNameToSortBy", byColumnName);
alg->execute();
// Reproduce the views.
this->produceViews();
// Give the new views the current slice point.
m_viewPeaks->setSlicePoint(this->m_slicePoint.slicePoint(), m_viewablePeaks);
}
Mantid::API::MatrixWorkspace_sptr SANSPlotSpecial::runIQTransform() {
// Run the IQTransform algorithm for the current settings on the GUI
Mantid::API::IAlgorithm_sptr iqt =
Mantid::API::AlgorithmManager::Instance().create("IQTransform");
iqt->initialize();
try {
iqt->setPropertyValue("InputWorkspace",
m_uiForm.wsInput->currentText().toStdString());
} catch (std::invalid_argument &) {
m_uiForm.lbPlotOptionsError->setText(
"Selected input workspace is not appropriate for the IQTransform "
"algorithm. Please refer to the documentation for guidelines.");
return Mantid::API::MatrixWorkspace_sptr();
}
iqt->setPropertyValue("OutputWorkspace", "__sans_isis_display_iqt");
iqt->setPropertyValue("TransformType",
m_uiForm.cbPlotType->currentText().toStdString());
if (m_uiForm.cbBackground->currentText() == "Value") {
iqt->setProperty<double>("BackgroundValue", m_uiForm.dsBackground->value());
} else {
iqt->setPropertyValue("BackgroundWorkspace",
m_uiForm.wsBackground->currentText().toStdString());
}
if (m_uiForm.cbPlotType->currentText() == "General") {
std::vector<double> constants =
m_transforms["General"]->functionConstants();
iqt->setProperty("GeneralFunctionConstants", constants);
}
iqt->execute();
Mantid::API::MatrixWorkspace_sptr result =
boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
Mantid::API::AnalysisDataService::Instance().retrieve(
"__sans_isis_display_iqt"));
return result;
}
bool ConcretePeaksPresenter::deletePeaksIn(PeakBoundingBox box) {
Left left(box.left());
Right right(box.right());
Bottom bottom(box.bottom());
Top top(box.top());
SlicePoint slicePoint(box.slicePoint());
if (slicePoint() < 0) { // indicates that it should not be used.
slicePoint = SlicePoint(m_slicePoint.slicePoint());
}
PeakBoundingBox accurateBox(
left, right, top, bottom,
slicePoint /*Use the current slice position, previously unknown.*/);
// Tranform box from plot coordinates into orderd HKL, Qx,Qy,Qz etc, then find
// the visible peaks.
std::vector<size_t> deletionIndexList = findVisiblePeakIndexes(accurateBox);
// If we have things to remove, do that in one-step.
if (!deletionIndexList.empty()) {
Mantid::API::IPeaksWorkspace_sptr peaksWS =
boost::const_pointer_cast<Mantid::API::IPeaksWorkspace>(
this->m_peaksWS);
// Sort the Peaks in-place.
Mantid::API::IAlgorithm_sptr alg =
AlgorithmManager::Instance().create("DeleteTableRows");
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("TableWorkspace", peaksWS);
alg->setProperty("Rows", deletionIndexList);
alg->execute();
// Reproduce the views. Proxy representations recreated for all peaks.
this->produceViews();
// Refind visible peaks and Set the proxy representations to be visible or
// not.
doFindPeaksInRegion();
// Upstream controls need to be regenerated.
this->informOwnerUpdate();
}
return !deletionIndexList.empty();
}
bool ConcretePeaksPresenter::addPeakAt(double plotCoordsPointX,
double plotCoordsPointY) {
V3D plotCoordsPoint(plotCoordsPointX, plotCoordsPointY,
m_slicePoint.slicePoint());
V3D hkl = m_transform->transformBack(plotCoordsPoint);
Mantid::API::IPeaksWorkspace_sptr peaksWS =
boost::const_pointer_cast<Mantid::API::IPeaksWorkspace>(this->m_peaksWS);
Mantid::API::IAlgorithm_sptr alg =
AlgorithmManager::Instance().create("AddPeakHKL");
alg->setChild(true);
alg->setRethrows(true);
alg->initialize();
alg->setProperty("Workspace", peaksWS);
alg->setProperty("HKL", std::vector<double>(hkl));
// Execute the algorithm
try {
alg->execute();
} catch (...) {
g_log.warning("ConcretePeaksPresenter: Could not add the peak. Make sure "
"that it is added within a valid workspace region");
}
// Reproduce the views. Proxy representations recreated for all peaks.
this->produceViews();
// Refind visible peaks and Set the proxy representations to be visible or
// not.
doFindPeaksInRegion();
// Upstream controls need to be regenerated.
this->informOwnerUpdate();
return alg->isExecuted();
}
/**
* Groups the workspace according to grouping provided.
*
* @param ws :: Workspace to group
* @param g :: The grouping information
* @return Sptr to created grouped workspace
*/
MatrixWorkspace_sptr groupWorkspace(MatrixWorkspace_const_sptr ws, const Grouping& g)
{
// As I couldn't specify multiple groups for GroupDetectors, I am going down quite a complicated
// route - for every group distinct grouped workspace is created using GroupDetectors. These
// workspaces are then merged into the output workspace.
// Create output workspace
MatrixWorkspace_sptr outWs =
WorkspaceFactory::Instance().create(ws, g.groups.size(), ws->readX(0).size(), ws->blocksize());
for(size_t gi = 0; gi < g.groups.size(); gi++)
{
Mantid::API::IAlgorithm_sptr alg = AlgorithmManager::Instance().create("GroupDetectors");
alg->setChild(true); // So Output workspace is not added to the ADS
alg->initialize();
alg->setProperty("InputWorkspace", boost::const_pointer_cast<MatrixWorkspace>(ws));
alg->setPropertyValue("SpectraList", g.groups[gi]);
alg->setPropertyValue("OutputWorkspace", "grouped"); // Is not actually used, just to make validators happy
alg->execute();
MatrixWorkspace_sptr grouped = alg->getProperty("OutputWorkspace");
// Copy the spectrum
*(outWs->getSpectrum(gi)) = *(grouped->getSpectrum(0));
// Update spectrum number
outWs->getSpectrum(gi)->setSpectrumNo(static_cast<specid_t>(gi));
// Copy to the output workspace
outWs->dataY(gi) = grouped->readY(0);
outWs->dataX(gi) = grouped->readX(0);
outWs->dataE(gi) = grouped->readE(0);
}
return outWs;
}
/**
* Move the user selected spectra in the input workspace into groups in the output workspace
* @param inputWS :: user selected input workspace for the algorithm
* @param outputWS :: user selected output workspace for the algorithm
* @param prog4Copy :: the amount of algorithm progress to attribute to moving a single spectra
* @return number of new grouped spectra
*/
size_t GroupDetectors2::formGroupsEvent( DataObjects::EventWorkspace_const_sptr inputWS, DataObjects::EventWorkspace_sptr outputWS,
const double prog4Copy)
{
// get "Behaviour" string
const std::string behaviour = getProperty("Behaviour");
int bhv = 0;
if ( behaviour == "Average" ) bhv = 1;
API::MatrixWorkspace_sptr beh = API::WorkspaceFactory::Instance().create(
"Workspace2D", static_cast<int>(m_GroupSpecInds.size()), 1, 1);
g_log.debug() << name() << ": Preparing to group spectra into " << m_GroupSpecInds.size() << " groups\n";
// where we are copying spectra to, we start copying to the start of the output workspace
size_t outIndex = 0;
// Only used for averaging behaviour. We may have a 1:1 map where a Divide would be waste as it would be just dividing by 1
bool requireDivide(false);
for ( storage_map::const_iterator it = m_GroupSpecInds.begin(); it != m_GroupSpecInds.end() ; ++it )
{
// This is the grouped spectrum
EventList & outEL = outputWS->getEventList(outIndex);
// The spectrum number of the group is the key
outEL.setSpectrumNo(it->first);
// Start fresh with no detector IDs
outEL.clearDetectorIDs();
// the Y values and errors from spectra being grouped are combined in the output spectrum
// Keep track of number of detectors required for masking
size_t nonMaskedSpectra(0);
beh->dataX(outIndex)[0] = 0.0;
beh->dataE(outIndex)[0] = 0.0;
for( std::vector<size_t>::const_iterator wsIter = it->second.begin(); wsIter != it->second.end(); ++wsIter)
{
const size_t originalWI = *wsIter;
const EventList & fromEL=inputWS->getEventList(originalWI);
//Add the event lists with the operator
outEL += fromEL;
// detectors to add to the output spectrum
outEL.addDetectorIDs(fromEL.getDetectorIDs() );
try
{
Geometry::IDetector_const_sptr det = inputWS->getDetector(originalWI);
if( !det->isMasked() ) ++nonMaskedSpectra;
}
catch(Exception::NotFoundError&)
{
// If a detector cannot be found, it cannot be masked
++nonMaskedSpectra;
}
}
if( nonMaskedSpectra == 0 ) ++nonMaskedSpectra; // Avoid possible divide by zero
if(!requireDivide) requireDivide = (nonMaskedSpectra > 1);
beh->dataY(outIndex)[0] = static_cast<double>(nonMaskedSpectra);
// make regular progress reports and check for cancelling the algorithm
if ( outIndex % INTERVAL == 0 )
{
m_FracCompl += INTERVAL*prog4Copy;
if ( m_FracCompl > 1.0 )
m_FracCompl = 1.0;
progress(m_FracCompl);
interruption_point();
}
outIndex ++;
}
// Refresh the spectraDetectorMap
outputWS->doneAddingEventLists();
if ( bhv == 1 && requireDivide )
{
g_log.debug() << "Running Divide algorithm to perform averaging.\n";
Mantid::API::IAlgorithm_sptr divide = createChildAlgorithm("Divide");
divide->initialize();
divide->setProperty<API::MatrixWorkspace_sptr>("LHSWorkspace", outputWS);
divide->setProperty<API::MatrixWorkspace_sptr>("RHSWorkspace", beh);
divide->setProperty<API::MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
divide->execute();
}
g_log.debug() << name() << " created " << outIndex << " new grouped spectra\n";
return outIndex;
}
/**
* Move the user selected spectra in the input workspace into groups in the output workspace
* @param inputWS :: user selected input workspace for the algorithm
* @param outputWS :: user selected output workspace for the algorithm
* @param prog4Copy :: the amount of algorithm progress to attribute to moving a single spectra
* @return number of new grouped spectra
*/
size_t GroupDetectors2::formGroups( API::MatrixWorkspace_const_sptr inputWS, API::MatrixWorkspace_sptr outputWS,
const double prog4Copy)
{
// get "Behaviour" string
const std::string behaviour = getProperty("Behaviour");
int bhv = 0;
if ( behaviour == "Average" ) bhv = 1;
API::MatrixWorkspace_sptr beh = API::WorkspaceFactory::Instance().create(
"Workspace2D", static_cast<int>(m_GroupSpecInds.size()), 1, 1);
g_log.debug() << name() << ": Preparing to group spectra into " << m_GroupSpecInds.size() << " groups\n";
// where we are copying spectra to, we start copying to the start of the output workspace
size_t outIndex = 0;
// Only used for averaging behaviour. We may have a 1:1 map where a Divide would be waste as it would be just dividing by 1
bool requireDivide(false);
for ( storage_map::const_iterator it = m_GroupSpecInds.begin(); it != m_GroupSpecInds.end() ; ++it )
{
// This is the grouped spectrum
ISpectrum * outSpec = outputWS->getSpectrum(outIndex);
// The spectrum number of the group is the key
outSpec->setSpectrumNo(it->first);
// Start fresh with no detector IDs
outSpec->clearDetectorIDs();
// Copy over X data from first spectrum, the bin boundaries for all spectra are assumed to be the same here
outSpec->dataX() = inputWS->readX(0);
// the Y values and errors from spectra being grouped are combined in the output spectrum
// Keep track of number of detectors required for masking
size_t nonMaskedSpectra(0);
beh->dataX(outIndex)[0] = 0.0;
beh->dataE(outIndex)[0] = 0.0;
for( std::vector<size_t>::const_iterator wsIter = it->second.begin(); wsIter != it->second.end(); ++wsIter)
{
const size_t originalWI = *wsIter;
// detectors to add to firstSpecNum
const ISpectrum * fromSpectrum = inputWS->getSpectrum(originalWI);
// Add up all the Y spectra and store the result in the first one
// Need to keep the next 3 lines inside loop for now until ManagedWorkspace mru-list works properly
MantidVec &firstY = outSpec->dataY();
MantidVec::iterator fYit;
MantidVec::iterator fEit = outSpec->dataE().begin();
MantidVec::const_iterator Yit = fromSpectrum->dataY().begin();
MantidVec::const_iterator Eit = fromSpectrum->dataE().begin();
for (fYit = firstY.begin(); fYit != firstY.end(); ++fYit, ++fEit, ++Yit, ++Eit)
{
*fYit += *Yit;
// Assume 'normal' (i.e. Gaussian) combination of errors
*fEit = std::sqrt( (*fEit)*(*fEit) + (*Eit)*(*Eit) );
}
// detectors to add to the output spectrum
outSpec->addDetectorIDs(fromSpectrum->getDetectorIDs() );
try
{
Geometry::IDetector_const_sptr det = inputWS->getDetector(originalWI);
if( !det->isMasked() ) ++nonMaskedSpectra;
}
catch(Exception::NotFoundError&)
{
// If a detector cannot be found, it cannot be masked
++nonMaskedSpectra;
}
}
if( nonMaskedSpectra == 0 ) ++nonMaskedSpectra; // Avoid possible divide by zero
if(!requireDivide) requireDivide = (nonMaskedSpectra > 1);
beh->dataY(outIndex)[0] = static_cast<double>(nonMaskedSpectra);
// make regular progress reports and check for cancelling the algorithm
if ( outIndex % INTERVAL == 0 )
{
m_FracCompl += INTERVAL*prog4Copy;
if ( m_FracCompl > 1.0 )
m_FracCompl = 1.0;
progress(m_FracCompl);
interruption_point();
}
outIndex ++;
}
// Refresh the spectraDetectorMap
outputWS->generateSpectraMap();
if ( bhv == 1 && requireDivide )
{
g_log.debug() << "Running Divide algorithm to perform averaging.\n";
Mantid::API::IAlgorithm_sptr divide = createChildAlgorithm("Divide");
divide->initialize();
divide->setProperty<API::MatrixWorkspace_sptr>("LHSWorkspace", outputWS);
divide->setProperty<API::MatrixWorkspace_sptr>("RHSWorkspace", beh);
divide->setProperty<API::MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
divide->execute();
}
g_log.debug() << name() << " created " << outIndex << " new grouped spectra\n";
return outIndex;
}