/**
* Adds a spline interpolation as a step in the calculation for using legacy
*correction factor
* workspaces.
*
* @param toInterpolate Pointer to the workspace to interpolate
* @param toMatch Name of the workspace to match
*/
void ApplyPaalmanPings::addInterpolationStep(MatrixWorkspace_sptr toInterpolate,
std::string toMatch) {
API::BatchAlgorithmRunner::AlgorithmRuntimeProps interpolationProps;
interpolationProps["WorkspaceToMatch"] = toMatch;
IAlgorithm_sptr interpolationAlg =
AlgorithmManager::Instance().create("SplineInterpolation");
interpolationAlg->initialize();
interpolationAlg->setProperty("WorkspaceToInterpolate",
toInterpolate->name());
interpolationAlg->setProperty("OutputWorkspace", toInterpolate->name());
m_batchAlgoRunner->addAlgorithm(interpolationAlg, interpolationProps);
}
bool ApplyPaalmanPings::validate() {
UserInputValidator uiv;
uiv.checkDataSelectorIsValid("Sample", m_uiForm.dsSample);
MatrixWorkspace_sptr sampleWs;
bool useCan = m_uiForm.ckUseCan->isChecked();
bool useCorrections = m_uiForm.ckUseCorrections->isChecked();
if (!(useCan || useCorrections))
uiv.addErrorMessage("Must use either container subtraction or corrections");
if (useCan) {
uiv.checkDataSelectorIsValid("Container", m_uiForm.dsContainer);
// Check can and sample workspaces are the same "type" (reduced or S(Q, w))
QString sample = m_uiForm.dsSample->getCurrentDataName();
QString sampleType =
sample.right(sample.length() - sample.lastIndexOf("_"));
QString container = m_uiForm.dsContainer->getCurrentDataName();
QString containerType =
container.right(container.length() - container.lastIndexOf("_"));
g_log.debug() << "Sample type is: " << sampleType.toStdString() << '\n';
g_log.debug() << "Can type is: " << containerType.toStdString() << '\n';
if (containerType != sampleType)
uiv.addErrorMessage(
"Sample and can workspaces must contain the same type of data.");
}
if (useCorrections) {
if (m_uiForm.dsCorrections->getCurrentDataName().compare("") == 0) {
uiv.addErrorMessage(
"Use Correction must contain a corrections file or workspace.");
} else {
QString correctionsWsName = m_uiForm.dsCorrections->getCurrentDataName();
WorkspaceGroup_sptr corrections =
AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(
correctionsWsName.toStdString());
for (size_t i = 0; i < corrections->size(); i++) {
// Check it is a MatrixWorkspace
MatrixWorkspace_sptr factorWs =
boost::dynamic_pointer_cast<MatrixWorkspace>(
corrections->getItem(i));
if (!factorWs) {
QString msg = "Correction factor workspace " + QString::number(i) +
" is not a MatrixWorkspace";
uiv.addErrorMessage(msg);
continue;
}
// Check X unit is wavelength
Mantid::Kernel::Unit_sptr xUnit = factorWs->getAxis(0)->unit();
if (xUnit->caption() != "Wavelength") {
QString msg = "Correction factor workspace " +
QString::fromStdString(factorWs->name()) +
" is not in wavelength";
uiv.addErrorMessage(msg);
}
}
}
}
// Show errors if there are any
if (!uiv.isAllInputValid())
emit showMessageBox(uiv.generateErrorMessage());
return uiv.isAllInputValid();
}
void ApplyPaalmanPings::run() {
// Create / Initialize algorithm
API::BatchAlgorithmRunner::AlgorithmRuntimeProps absCorProps;
IAlgorithm_sptr applyCorrAlg =
AlgorithmManager::Instance().create("ApplyPaalmanPingsCorrection");
applyCorrAlg->initialize();
// get Sample Workspace
MatrixWorkspace_sptr sampleWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
m_sampleWorkspaceName);
m_originalSampleUnits = sampleWs->getAxis(0)->unit()->unitID();
// If not in wavelength then do conversion
if (m_originalSampleUnits != "Wavelength") {
g_log.information(
"Sample workspace not in wavelength, need to convert to continue.");
absCorProps["SampleWorkspace"] =
addConvertUnitsStep(sampleWs, "Wavelength");
} else {
absCorProps["SampleWorkspace"] = m_sampleWorkspaceName;
}
const bool useCan = m_uiForm.ckUseCan->isChecked();
const bool useCorrections = m_uiForm.ckUseCorrections->isChecked();
// Get Can and Clone
MatrixWorkspace_sptr canClone;
if (useCan) {
const auto canName =
m_uiForm.dsContainer->getCurrentDataName().toStdString();
const auto cloneName = "__algorithm_can";
IAlgorithm_sptr clone =
AlgorithmManager::Instance().create("CloneWorkspace");
clone->initialize();
clone->setProperty("InputWorkspace", canName);
clone->setProperty("Outputworkspace", cloneName);
clone->execute();
const bool useShift = m_uiForm.ckShiftCan->isChecked();
if (useShift) {
IAlgorithm_sptr scaleX = AlgorithmManager::Instance().create("ScaleX");
scaleX->initialize();
scaleX->setLogging(false);
scaleX->setProperty("InputWorkspace", cloneName);
scaleX->setProperty("OutputWorkspace", cloneName);
scaleX->setProperty("Factor", m_uiForm.spCanShift->value());
scaleX->setProperty("Operation", "Add");
scaleX->execute();
IAlgorithm_sptr rebin =
AlgorithmManager::Instance().create("RebinToWorkspace");
rebin->initialize();
rebin->setLogging(false);
rebin->setProperty("WorkspaceToRebin", cloneName);
rebin->setProperty("WorkspaceToMatch", m_sampleWorkspaceName);
rebin->setProperty("OutputWorkspace", cloneName);
rebin->execute();
}
canClone =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(cloneName);
// Check for same binning across sample and container
if (!checkWorkspaceBinningMatches(sampleWs, canClone)) {
const char *text =
"Binning on sample and container does not match."
"Would you like to rebin the container to match the sample?";
int result = QMessageBox::question(NULL, tr("Rebin sample?"), tr(text),
QMessageBox::Yes, QMessageBox::No,
QMessageBox::NoButton);
if (result == QMessageBox::Yes) {
addRebinStep(QString::fromStdString(canName),
QString::fromStdString(m_sampleWorkspaceName));
} else {
m_batchAlgoRunner->clearQueue();
g_log.error("Cannot apply absorption corrections "
"using a sample and "
"container with different binning.");
return;
}
}
// If not in wavelength then do conversion
std::string originalCanUnits = canClone->getAxis(0)->unit()->unitID();
if (originalCanUnits != "Wavelength") {
g_log.information("Container workspace not in wavelength, need to "
"convert to continue.");
absCorProps["CanWorkspace"] = addConvertUnitsStep(canClone, "Wavelength");
} else {
absCorProps["CanWorkspace"] = cloneName;
}
const bool useCanScale = m_uiForm.ckScaleCan->isChecked();
if (useCanScale) {
const double canScaleFactor = m_uiForm.spCanScale->value();
applyCorrAlg->setProperty("CanScaleFactor", canScaleFactor);
}
}
if (useCorrections) {
QString correctionsWsName = m_uiForm.dsCorrections->getCurrentDataName();
WorkspaceGroup_sptr corrections =
AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(
correctionsWsName.toStdString());
bool interpolateAll = false;
for (size_t i = 0; i < corrections->size(); i++) {
MatrixWorkspace_sptr factorWs =
boost::dynamic_pointer_cast<MatrixWorkspace>(corrections->getItem(i));
// Check for matching binning
if (sampleWs && (sampleWs->blocksize() != factorWs->blocksize())) {
int result;
if (interpolateAll) {
result = QMessageBox::Yes;
} else {
std::string text = "Number of bins on sample and " +
factorWs->name() + " workspace does not match.\n" +
"Would you like to interpolate this workspace to "
"match the sample?";
result = QMessageBox::question(
NULL, tr("Interpolate corrections?"), tr(text.c_str()),
QMessageBox::YesToAll, QMessageBox::Yes, QMessageBox::No);
}
switch (result) {
case QMessageBox::YesToAll:
interpolateAll = true;
// fall through
case QMessageBox::Yes:
addInterpolationStep(factorWs, absCorProps["SampleWorkspace"]);
break;
default:
m_batchAlgoRunner->clearQueue();
g_log.error("ApplyPaalmanPings cannot run with corrections that do "
"not match sample binning.");
return;
}
}
}
applyCorrAlg->setProperty("CorrectionsWorkspace",
correctionsWsName.toStdString());
}
// Generate output workspace name
auto QStrSampleWsName = QString::fromStdString(m_sampleWorkspaceName);
int nameCutIndex = QStrSampleWsName.lastIndexOf("_");
if (nameCutIndex == -1)
nameCutIndex = QStrSampleWsName.length();
QString correctionType;
switch (m_uiForm.cbGeometry->currentIndex()) {
case 0:
correctionType = "flt";
break;
case 1:
correctionType = "cyl";
break;
case 2:
correctionType = "anl";
break;
}
QString outputWsName = QStrSampleWsName.left(nameCutIndex);
// Using corrections
if (m_uiForm.ckUseCorrections->isChecked()) {
outputWsName += "_" + correctionType + "_Corrected";
} else {
outputWsName += "_Subtracted";
}
// Using container
if (m_uiForm.ckUseCan->isChecked()) {
const auto canName =
m_uiForm.dsContainer->getCurrentDataName().toStdString();
MatrixWorkspace_sptr containerWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(canName);
auto run = containerWs->run();
if (run.hasProperty("run_number")) {
outputWsName +=
"_" + QString::fromStdString(run.getProperty("run_number")->value());
} else {
auto canCutIndex = QString::fromStdString(canName).indexOf("_");
outputWsName += "_" + QString::fromStdString(canName).left(canCutIndex);
}
}
outputWsName += "_red";
applyCorrAlg->setProperty("OutputWorkspace", outputWsName.toStdString());
// Add corrections algorithm to queue
m_batchAlgoRunner->addAlgorithm(applyCorrAlg, absCorProps);
// Run algorithm queue
connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this,
SLOT(absCorComplete(bool)));
m_batchAlgoRunner->executeBatchAsync();
// Set the result workspace for Python script export
m_pythonExportWsName = outputWsName.toStdString();
// m_containerWorkspaceName = m_uiForm.dsContainer->getCurrentDataName();
// updateContainer();
}
