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#include "MantidQtCustomInterfaces/Indirect/ApplyPaalmanPings.h"
#include "MantidQtCustomInterfaces/UserInputValidator.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/TextAxis.h"
#include <QStringList>
using namespace Mantid::API;
namespace {
Mantid::Kernel::Logger g_log("ApplyPaalmanPings");
}
namespace MantidQt {
namespace CustomInterfaces {
ApplyPaalmanPings::ApplyPaalmanPings(QWidget *parent) : CorrectionsTab(parent) {
m_uiForm.setupUi(parent);
connect(m_uiForm.cbGeometry, SIGNAL(currentIndexChanged(int)), this,
SLOT(handleGeometryChange(int)));
connect(m_uiForm.dsSample, SIGNAL(dataReady(const QString &)), this,
SLOT(newData(const QString &)));
connect(m_uiForm.spPreviewSpec, SIGNAL(valueChanged(int)), this,
SLOT(plotPreview(int)));
m_uiForm.spPreviewSpec->setMinimum(0);
m_uiForm.spPreviewSpec->setMaximum(0);
}
void ApplyPaalmanPings::setup() {}
/**
* Disables corrections when using S(Q, w) as input data.
*
* @param dataName Name of new data source
*/
void ApplyPaalmanPings::newData(const QString &dataName) {
const MatrixWorkspace_sptr sampleWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
dataName.toStdString());
m_uiForm.spPreviewSpec->setMaximum(
static_cast<int>(sampleWs->getNumberHistograms()) - 1);
// Plot the sample curve
m_uiForm.ppPreview->clear();
m_uiForm.ppPreview->addSpectrum("Sample", sampleWs, 0, Qt::black);
}
void ApplyPaalmanPings::run() {
API::BatchAlgorithmRunner::AlgorithmRuntimeProps absCorProps;
IAlgorithm_sptr applyCorrAlg =
AlgorithmManager::Instance().create("ApplyPaalmanPingsCorrection");
applyCorrAlg->initialize();
QString sampleWsName = m_uiForm.dsSample->getCurrentDataName();
MatrixWorkspace_sptr sampleWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
sampleWsName.toStdString());
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"] = sampleWsName.toStdString();
}
bool useCan = m_uiForm.ckUseCan->isChecked();
if (useCan) {
QString canWsName = m_uiForm.dsContainer->getCurrentDataName();
MatrixWorkspace_sptr canWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
canWsName.toStdString());
// If not in wavelength then do conversion
std::string originalCanUnits = canWs->getAxis(0)->unit()->unitID();
if (originalCanUnits != "Wavelength") {
g_log.information("Container workspace not in wavelength, need to "
"convert to continue.");
absCorProps["CanWorkspace"] = addConvertUnitsStep(canWs, "Wavelength");
} else {
absCorProps["CanWorkspace"] = canWsName.toStdString();
}
bool useCanScale = m_uiForm.ckScaleCan->isChecked();
if (useCanScale) {
double canScaleFactor = m_uiForm.spCanScale->value();
applyCorrAlg->setProperty("CanScaleFactor", canScaleFactor);
}
// Check for same binning across sample and container
if (!checkWorkspaceBinningMatches(sampleWs, canWs)) {
QString text =
"Binning on sample and container does not match."
"Would you like to rebin the sample to match the container?";
int result = QMessageBox::question(NULL, tr("Rebin sample?"), tr(text),
QMessageBox::Yes, QMessageBox::No,
QMessageBox::NoButton);
if (result == QMessageBox::Yes) {
addRebinStep(sampleWsName, canWsName);
} else {
g_log.error("Cannot apply absorption corrections using a sample and "
"container with different binning.");
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bool useCorrections = m_uiForm.ckUseCorrections->isChecked();
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 {
QString text = "Number of bins on sample and " +
QString::fromStdString(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), QMessageBox::YesToAll,
QMessageBox::Yes, QMessageBox::No);
}
switch (result) {
case QMessageBox::YesToAll:
interpolateAll = true;
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
int nameCutIndex = sampleWsName.lastIndexOf("_");
if (nameCutIndex == -1)
nameCutIndex = sampleWsName.length();
QString correctionType;
switch (m_uiForm.cbGeometry->currentIndex()) {
case 0:
correctionType = "flt";
break;
case 1:
correctionType = "cyl";
break;
}
sampleWsName.left(nameCutIndex) + +"_" + correctionType + "_Corrected";
if(m_uiForm.ckUseCan->isChecked()){
QString canWsName = m_uiForm.dsContainer->getCurrentDataName();
auto canCut = canWsName.indexOf("_");
outputWsName += "_" + canWsName.left(canCut);
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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();
}
/**
* Adds a rebin to workspace step to the calculation for when using a sample and
*container that
* have different binning.
*
* @param toRebin
* @param toMatch
*/
void ApplyPaalmanPings::addRebinStep(QString toRebin, QString toMatch) {
API::BatchAlgorithmRunner::AlgorithmRuntimeProps rebinProps;
rebinProps["WorkspaceToMatch"] = toMatch.toStdString();
IAlgorithm_sptr rebinAlg =
AlgorithmManager::Instance().create("RebinToWorkspace");
rebinAlg->initialize();
rebinAlg->setProperty("WorkspaceToRebin", toRebin.toStdString());
rebinAlg->setProperty("OutputWorkspace", toRebin.toStdString());
m_batchAlgoRunner->addAlgorithm(rebinAlg, rebinProps);
}
/**
* 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);
}
/**
* Handles completion of the abs. correction algorithm.
*
* @param error True if algorithm failed.
*/
void ApplyPaalmanPings::absCorComplete(bool error) {
disconnect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this,
SLOT(absCorComplete(bool)));
if (error) {
emit showMessageBox(
"Unable to apply corrections.\nSee Results Log for more details.");
return;
}
// Convert back to original sample units
if (m_originalSampleUnits != "Wavelength") {
auto ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
m_pythonExportWsName);
std::string eMode("");
if (m_originalSampleUnits == "dSpacing")
eMode = "Elastic";
addConvertUnitsStep(ws, m_originalSampleUnits, "", eMode);
}
// Add save algorithms if required
bool save = m_uiForm.ckSave->isChecked();
if (save)
addSaveWorkspaceToQueue(QString::fromStdString(m_pythonExportWsName));
// Run algorithm queue
connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this,
SLOT(postProcessComplete(bool)));
m_batchAlgoRunner->executeBatchAsync();
}
/**
* Handles completion of the unit conversion and saving algorithm.
*
* @param error True if algorithm failed.
*/
void ApplyPaalmanPings::postProcessComplete(bool error) {
disconnect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this,
SLOT(postProcessComplete(bool)));
if (error) {
emit showMessageBox("Unable to process corrected workspace.\nSee Results "
"Log for more details.");
return;
}
// Handle preview plot
plotPreview(m_uiForm.spPreviewSpec->value());
// Handle Mantid plotting
QString plotType = m_uiForm.cbPlotOutput->currentText();
if (plotType == "Spectra" || plotType == "Both")
plotSpectrum(QString::fromStdString(m_pythonExportWsName));
if (plotType == "Contour" || plotType == "Both")
plot2D(QString::fromStdString(m_pythonExportWsName));
}
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()
<< std::endl;
g_log.debug() << "Can type is: " << containerType.toStdString()
<< std::endl;
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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::loadSettings(const QSettings &settings) {
m_uiForm.dsCorrections->readSettings(settings.group());
m_uiForm.dsContainer->readSettings(settings.group());
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m_uiForm.dsSample->readSettings(settings.group());
}
/**
* Handles when the type of geometry changes
*
* Updates the file extension to search for
*/
void ApplyPaalmanPings::handleGeometryChange(int index) {
QString ext("");
switch (index) {
case 0:
// Geometry is flat
ext = "_flt_abs";
break;
case 1:
// Geometry is cylinder
ext = "_cyl_abs";
break;
case 2:
// Geometry is annulus
ext = "_ann_abs";
break;
}
m_uiForm.dsCorrections->setWSSuffixes(QStringList(ext));
m_uiForm.dsCorrections->setFBSuffixes(QStringList(ext + ".nxs"));
}
/**
* Replots the preview plot.
*
* @param specIndex Spectrum index to plot
*/
void ApplyPaalmanPings::plotPreview(int specIndex) {
bool useCan = m_uiForm.ckUseCan->isChecked();
m_uiForm.ppPreview->clear();
// Plot sample
m_uiForm.ppPreview->addSpectrum(
"Sample", m_uiForm.dsSample->getCurrentDataName(), specIndex, Qt::black);
// Plot result
if (!m_pythonExportWsName.empty())
m_uiForm.ppPreview->addSpectrum(
"Corrected", QString::fromStdString(m_pythonExportWsName), specIndex,
Qt::green);
// Plot can
if (useCan)
m_uiForm.ppPreview->addSpectrum(
"Can", m_uiForm.dsContainer->getCurrentDataName(), specIndex, Qt::red);
} // namespace MantidQt