/// Fit the data simultaneously.
void MultiDatasetFit::fitSimultaneous() {
try {
m_uiForm.btnFit->setEnabled(false);
auto fun = createFunction();
auto fit = Mantid::API::AlgorithmManager::Instance().create("Fit");
fit->initialize();
fit->setProperty("Function", fun);
fit->setPropertyValue("InputWorkspace", getWorkspaceName(0).toStdString());
fit->setProperty("WorkspaceIndex", getWorkspaceIndex(0));
auto range = getFittingRange(0);
fit->setProperty("StartX", range.first);
fit->setProperty("EndX", range.second);
int n = getNumberOfSpectra();
for (int ispec = 1; ispec < n; ++ispec) {
std::string suffix = boost::lexical_cast<std::string>(ispec);
fit->setPropertyValue("InputWorkspace_" + suffix,
getWorkspaceName(ispec).toStdString());
fit->setProperty("WorkspaceIndex_" + suffix, getWorkspaceIndex(ispec));
auto range = getFittingRange(ispec);
fit->setProperty("StartX_" + suffix, range.first);
fit->setProperty("EndX_" + suffix, range.second);
}
m_fitOptionsBrowser->copyPropertiesToAlgorithm(*fit);
m_outputWorkspaceName = m_fitOptionsBrowser->getProperty("Output");
if (m_outputWorkspaceName.isEmpty()) {
m_outputWorkspaceName = "out";
fit->setPropertyValue("Output", m_outputWorkspaceName.toStdString());
m_fitOptionsBrowser->setProperty("Output", "out");
}
if (n == 1) {
m_outputWorkspaceName += "_Workspace";
} else {
m_outputWorkspaceName += "_Workspaces";
}
removeOldOutput();
m_fitRunner.reset(new API::AlgorithmRunner());
connect(m_fitRunner.get(), SIGNAL(algorithmComplete(bool)), this,
SLOT(finishFit(bool)), Qt::QueuedConnection);
m_fitRunner->startAlgorithm(fit);
} catch (std::exception &e) {
QString mess(e.what());
const int maxSize = 500;
if (mess.size() > maxSize) {
mess = mess.mid(0, maxSize);
mess += "...";
}
QMessageBox::critical(this, "MantidPlot - Error",
QString("Fit failed:\n\n %1").arg(mess));
m_uiForm.btnFit->setEnabled(true);
}
}
/**
* Get value of named log from workspace i
* (Must be able to cast to double)
* @param logName :: [input] Name of log
* @param function :: [input] Function to apply to log e.g. min, max, mean...
* @param i :: [input] index of dataset
* @returns :: value of log cast to double
*/
double DataController::getLogValue(const QString &logName,
const StatisticType &function, int i) const {
auto &ads = Mantid::API::AnalysisDataService::Instance();
const auto &wsName = getWorkspaceName(i).toStdString();
if (ads.doesExist(wsName)) {
const auto &workspace =
ads.retrieveWS<Mantid::API::MatrixWorkspace>(wsName);
return workspace->run().getLogAsSingleValue(logName.toStdString(),
function);
} else {
throw std::runtime_error("Workspace not found: " + wsName);
}
}
/// Fit the data sets sequentially if there are no global parameters.
void MultiDatasetFit::fitSequential() {
try {
/// disable button to avoid multiple fit click
m_uiForm.btnFit->setEnabled(false);
std::ostringstream input;
int n = getNumberOfSpectra();
for (int ispec = 0; ispec < n; ++ispec) {
input << getWorkspaceName(ispec).toStdString() << ",i"
<< getWorkspaceIndex(ispec) << ";";
}
auto fun = m_functionBrowser->getFunction();
auto fit =
Mantid::API::AlgorithmManager::Instance().create("PlotPeakByLogValue");
fit->initialize();
fit->setPropertyValue("Function", fun->asString());
fit->setPropertyValue("Input", input.str());
auto range = getFittingRange(0);
fit->setProperty("StartX", range.first);
fit->setProperty("EndX", range.second);
m_fitOptionsBrowser->copyPropertiesToAlgorithm(*fit);
m_outputWorkspaceName =
m_fitOptionsBrowser->getProperty("OutputWorkspace") + "_Workspaces";
removeOldOutput();
m_fitRunner.reset(new API::AlgorithmRunner());
connect(m_fitRunner.get(), SIGNAL(algorithmComplete(bool)), this,
SLOT(finishFit(bool)), Qt::QueuedConnection);
m_fitRunner->startAlgorithm(fit);
} catch (std::exception &e) {
QString mess(e.what());
const int maxSize = 500;
if (mess.size() > maxSize) {
mess = mess.mid(0, maxSize);
mess += "...";
}
QMessageBox::critical(
this, "MantidPlot - Error",
QString("PlotPeakByLogValue failed:\n\n %1").arg(mess));
m_uiForm.btnFit->setEnabled(true);
}
}
/// Check that the data sets in the table are valid and remove invalid ones.
void DataController::checkSpectra() {
QList<int> rows;
int nrows = getNumberOfSpectra();
auto &ADS = Mantid::API::AnalysisDataService::Instance();
for (int row = 0; row < nrows; ++row) {
auto wsName = getWorkspaceName(row).toStdString();
auto i = getWorkspaceIndex(row);
if (!ADS.doesExist(wsName)) {
rows.push_back(row);
continue;
}
auto ws = ADS.retrieveWS<Mantid::API::MatrixWorkspace>(wsName);
if (!ws || i >= static_cast<int>(ws->getNumberHistograms())) {
rows.push_back(row);
continue;
}
}
removeSpectra(rows);
}
/**
* Collect names of the logs in the data workspaces and pass them on to
* m_fitOptionsBrowser.
*/
void MultiDatasetFit::setLogNames() {
if (getNumberOfSpectra() > 0) {
try {
auto ws = Mantid::API::AnalysisDataService::Instance()
.retrieveWS<Mantid::API::MatrixWorkspace>(
getWorkspaceName(0).toStdString());
const std::vector<Mantid::Kernel::Property *> logs =
ws->run().getLogData();
QStringList logNames;
for (int i = 0; i < static_cast<int>(logs.size()); ++i) {
if (dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(
logs[i])) {
logNames << QString::fromStdString(logs[i]->name());
}
}
if (!logNames.isEmpty()) {
m_fitOptionsBrowser->setLogNames(logNames);
}
} catch (...) { /*Maybe the data table hasn't updated yet*/
}
}
}
/**
* Get list of log names from workspace i
* @param i :: [input] index of dataset
* @returns :: list of log names
*/
std::vector<std::string> DataController::getWorkspaceLogNames(int i) const {
std::vector<std::string> logNames;
// validate input
if (i > getNumberOfSpectra()) {
std::ostringstream err;
err << "Index " << i << "greater than number of spectra ("
<< getNumberOfSpectra() << ")";
throw std::invalid_argument(err.str());
}
// populate vector of names
auto &ads = Mantid::API::AnalysisDataService::Instance();
const auto &wsName = getWorkspaceName(i).toStdString();
if (ads.doesExist(wsName)) {
const auto &workspace =
ads.retrieveWS<Mantid::API::MatrixWorkspace>(wsName);
const auto &logs = workspace->run().getLogData();
for (const auto &log : logs) {
logNames.push_back(log->name());
}
}
return logNames;
}
