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#include "MantidQtCustomInterfaces/ReflMainViewPresenter.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/CatalogManager.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/NotebookWriter.h"
#include "MantidGeometry/Instrument/ParameterMap.h"
#include "MantidKernel/ConfigService.h"
#include "MantidKernel/FacilityInfo.h"
#include "MantidKernel/Strings.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/Utils.h"
#include "MantidQtCustomInterfaces/ReflNexusMeasurementSource.h"
#include "MantidQtCustomInterfaces/ProgressableView.h"
#include "MantidQtCustomInterfaces/ReflCatalogSearcher.h"
#include "MantidQtCustomInterfaces/ReflLegacyTransferStrategy.h"
#include "MantidQtCustomInterfaces/ReflMeasureTransferStrategy.h"
#include "MantidQtCustomInterfaces/ReflMainView.h"
#include "MantidQtCustomInterfaces/ReflSearchModel.h"
#include "MantidQtCustomInterfaces/QReflTableModel.h"
#include "MantidQtCustomInterfaces/QtReflOptionsDialog.h"
#include "MantidQtCustomInterfaces/ReflGenerateNotebook.h"
#include "MantidQtMantidWidgets/AlgorithmHintStrategy.h"
#include "MantidQtCustomInterfaces/ParseKeyValueString.h"
#include "MantidKernel/FacilityInfo.h"
#include "MantidKernel/CatalogInfo.h"
#include "MantidKernel/ConfigService.h"
#include <boost/tokenizer.hpp>
#include <fstream>
#include <sstream>
using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace MantidQt::MantidWidgets;
class ReflProgress : public Mantid::Kernel::ProgressBase {
private:
MantidQt::CustomInterfaces::ProgressableView *const m_progressableView;
ReflProgress(
double start, double end, int64_t nSteps,
MantidQt::CustomInterfaces::ProgressableView *const progressableView)
: ProgressBase(static_cast<int>(start), static_cast<int>(end),
static_cast<int>(nSteps)),
m_progressableView(progressableView) {
if (!progressableView) {
throw std::runtime_error("ProgressableView is null");
}
m_progressableView->clearProgress();
m_progressableView->setProgressRange(static_cast<int>(start), static_cast<int>(end));
void doReport(const std::string &) {
m_progressableView->setProgress(static_cast<int>(m_i));
void clear() { m_progressableView->clearProgress(); }
void validateModel(ITableWorkspace_sptr model) {
if (!model)
throw std::runtime_error("Null pointer");
if (model->columnCount() != 9)
throw std::runtime_error("Selected table has the incorrect number of "
"columns (9) to be used as a reflectometry "
"table.");
try {
model->String(0, 0);
model->String(0, 1);
model->String(0, 2);
model->String(0, 3);
model->String(0, 4);
model->String(0, 5);
model->Double(0, 6);
model->Int(0, 7);
model->String(0, 8);
} catch (const std::runtime_error &) {
throw std::runtime_error("Selected table does not meet the specifications "
"to become a model for this interface.");
bool isValidModel(Workspace_sptr model) {
try {
validateModel(boost::dynamic_pointer_cast<ITableWorkspace>(model));
} catch (...) {
return false;
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}
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ITableWorkspace_sptr createWorkspace() {
ITableWorkspace_sptr ws = WorkspaceFactory::Instance().createTable();
auto colRuns = ws->addColumn("str", "Run(s)");
auto colTheta = ws->addColumn("str", "ThetaIn");
auto colTrans = ws->addColumn("str", "TransRun(s)");
auto colQmin = ws->addColumn("str", "Qmin");
auto colQmax = ws->addColumn("str", "Qmax");
auto colDqq = ws->addColumn("str", "dq/q");
auto colScale = ws->addColumn("double", "Scale");
auto colStitch = ws->addColumn("int", "StitchGroup");
auto colOptions = ws->addColumn("str", "Options");
colRuns->setPlotType(0);
colTheta->setPlotType(0);
colTrans->setPlotType(0);
colQmin->setPlotType(0);
colQmax->setPlotType(0);
colDqq->setPlotType(0);
colScale->setPlotType(0);
colStitch->setPlotType(0);
colOptions->setPlotType(0);
return ws;
}
ITableWorkspace_sptr createDefaultWorkspace() {
// Create a blank workspace with one line and set the scale column to 1
auto ws = createWorkspace();
ws->appendRow();
ws->Double(0, MantidQt::CustomInterfaces::ReflTableSchema::COL_SCALE) = 1.0;
return ws;
}
namespace MantidQt {
namespace CustomInterfaces {
ReflMainViewPresenter::ReflMainViewPresenter(
ReflMainView *mainView, ProgressableView *progressView,
boost::shared_ptr<IReflSearcher> searcher)
: m_view(mainView), m_progressView(progressView), m_tableDirty(false),
m_searcher(searcher),
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m_addObserver(*this, &ReflMainViewPresenter::handleAddEvent),
m_remObserver(*this, &ReflMainViewPresenter::handleRemEvent),
m_clearObserver(*this, &ReflMainViewPresenter::handleClearEvent),
m_renameObserver(*this, &ReflMainViewPresenter::handleRenameEvent),
m_replaceObserver(*this, &ReflMainViewPresenter::handleReplaceEvent) {
// TODO. Select strategy.
/*
std::unique_ptr<CatalogConfigService> catConfigService(
makeCatalogConfigServiceAdapter(ConfigService::Instance()));
UserCatalogInfo catalogInfo(
ConfigService::Instance().getFacility().catalogInfo(), *catConfigService);
*/
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// Initialise options
initOptions();
// Set up the instrument selectors
std::vector<std::string> instruments;
instruments.push_back("INTER");
instruments.push_back("SURF");
instruments.push_back("CRISP");
instruments.push_back("POLREF");
instruments.push_back("OFFSPEC");
// If the user's configured default instrument is in this list, set it as the
// default, otherwise use INTER
const std::string defaultInst =
Mantid::Kernel::ConfigService::Instance().getString("default.instrument");
if (std::find(instruments.begin(), instruments.end(), defaultInst) !=
instruments.end())
m_view->setInstrumentList(instruments, defaultInst);
else
m_view->setInstrumentList(instruments, "INTER");
// Populate an initial list of valid tables to open, and subscribe to the ADS
// to keep it up to date
Mantid::API::AnalysisDataServiceImpl &ads =
Mantid::API::AnalysisDataService::Instance();
std::set<std::string> items;
items = ads.getObjectNames();
for (auto it = items.begin(); it != items.end(); ++it) {
const std::string name = *it;
Workspace_sptr ws = ads.retrieve(name);
if (isValidModel(ws))
m_workspaceList.insert(name);
}
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ads.notificationCenter.addObserver(m_addObserver);
ads.notificationCenter.addObserver(m_remObserver);
ads.notificationCenter.addObserver(m_renameObserver);
ads.notificationCenter.addObserver(m_clearObserver);
ads.notificationCenter.addObserver(m_replaceObserver);
m_view->setTableList(m_workspaceList);
// Provide autocompletion hints for the options column. We use the algorithm's
// properties minus
// those we blacklist. We blacklist any useless properties or ones we're
// handling that the user
// should'nt touch.
IAlgorithm_sptr alg =
AlgorithmManager::Instance().create("ReflectometryReductionOneAuto");
std::set<std::string> blacklist;
blacklist.insert("ThetaIn");
blacklist.insert("ThetaOut");
blacklist.insert("InputWorkspace");
blacklist.insert("OutputWorkspace");
blacklist.insert("OutputWorkspaceWavelength");
blacklist.insert("FirstTransmissionRun");
blacklist.insert("SecondTransmissionRun");
m_view->setOptionsHintStrategy(new AlgorithmHintStrategy(alg, blacklist));
// If we don't have a searcher yet, use ReflCatalogSearcher
if (!m_searcher)
m_searcher.reset(new ReflCatalogSearcher());
// Set the possible tranfer methods
std::set<std::string> methods;
methods.insert(LegacyTransferMethod);
methods.insert(MeasureTransferMethod);
m_view->setTransferMethods(methods);
// Start with a blank table
newTable();
}
ReflMainViewPresenter::~ReflMainViewPresenter() {
Mantid::API::AnalysisDataServiceImpl &ads =
Mantid::API::AnalysisDataService::Instance();
ads.notificationCenter.removeObserver(m_addObserver);
ads.notificationCenter.removeObserver(m_remObserver);
ads.notificationCenter.removeObserver(m_clearObserver);
ads.notificationCenter.removeObserver(m_renameObserver);
ads.notificationCenter.removeObserver(m_replaceObserver);
}
/**
* Finds the first unused group id
*/
int ReflMainViewPresenter::getUnusedGroup(std::set<int> ignoredRows) const {
std::set<int> usedGroups;
// Scan through all the rows, working out which group ids are used
for (int idx = 0; idx < m_model->rowCount(); ++idx) {
if (ignoredRows.find(idx) != ignoredRows.end())
continue;
// This is an unselected row. Add it to the list of used group ids
usedGroups.insert(
m_model->data(m_model->index(idx, ReflTableSchema::COL_GROUP)).toInt());
}
// While the group id is one of the used ones, increment it by 1
while (usedGroups.find(groupId) != usedGroups.end())
groupId++;
return groupId;
}
/**
Process selected rows
*/
void ReflMainViewPresenter::process() {
if (m_model->rowCount() == 0) {
m_view->giveUserWarning("Cannot process an empty Table", "Warning");
return;
}
std::set<int> rows = m_view->getSelectedRows();
if (rows.empty()) {
if (m_options["WarnProcessAll"].toBool()) {
// Does the user want to abort?
if (!m_view->askUserYesNo(
"This will process all rows in the table. Continue?",
"Process all rows?"))
// They want to process all rows, so populate rows with every index in the
// model
for (int idx = 0; idx < m_model->rowCount(); ++idx)
rows.insert(idx);
}
// Map group numbers to the set of rows in that group we want to process
std::map<int, std::set<int>> groups;
for (auto it = rows.begin(); it != rows.end(); ++it)
groups[m_model->data(m_model->index(*it, ReflTableSchema::COL_GROUP))
.toInt()].insert(*it);
// Check each group and warn if we're only partially processing it
for (auto gIt = groups.begin(); gIt != groups.end(); ++gIt) {
const int &groupId = gIt->first;
const std::set<int> &groupRows = gIt->second;
// Are we only partially processing a group?
if (groupRows.size() < numRowsInGroup(gIt->first) &&
m_options["WarnProcessPartialGroup"].toBool()) {
std::stringstream err;
err << "You have only selected " << groupRows.size() << " of the ";
err << numRowsInGroup(groupId) << " rows in group " << groupId << ".";
err << " Are you sure you want to continue?";
if (!m_view->askUserYesNo(err.str(), "Continue Processing?"))
if (!rowsValid(rows)) {
return;
}
if (!processGroups(groups, rows)) {
return;
}
// If "Output Notebook" checkbox is checked then create an ipython notebook
if (m_view->getEnableNotebook()) {
saveNotebook(groups, rows);
}
}
/**
Display a dialog to choose save location for notebook, then save the notebook
there
@param groups : groups of rows to stitch
@param rows : rows selected for processing
*/
void ReflMainViewPresenter::saveNotebook(std::map<int, std::set<int>> groups,
std::set<int> rows) {
std::string filename = m_view->requestNotebookPath();
if (filename == "") {
return;
}
std::unique_ptr<ReflGenerateNotebook> notebook(new ReflGenerateNotebook(
m_wsName, m_model, m_view->getProcessInstrument(),
ReflTableSchema::COL_RUNS, ReflTableSchema::COL_TRANSMISSION,
ReflTableSchema::COL_OPTIONS, ReflTableSchema::COL_ANGLE,
ReflTableSchema::COL_QMIN, ReflTableSchema::COL_QMAX,
ReflTableSchema::COL_DQQ, ReflTableSchema::COL_SCALE,
ReflTableSchema::COL_GROUP));
std::string generatedNotebook = notebook->generateNotebook(groups, rows);
std::ofstream file(filename.c_str(), std::ofstream::trunc);
file << generatedNotebook;
file.flush();
file.close();
}
/**
Process stitch groups
@param rows : rows in the model
@param groups : groups of rows to stitch
@returns true if successful, otherwise false
*/
bool ReflMainViewPresenter::processGroups(std::map<int, std::set<int>> groups,
std::set<int> rows) {
int progress = 0;
// Each group and each row within count as a progress step.
const int maxProgress = (int)(rows.size() + groups.size());
ReflProgress progressReporter(progress, maxProgress, maxProgress,
m_progressView);
for (auto gIt = groups.begin(); gIt != groups.end(); ++gIt) {
const std::set<int> groupRows = gIt->second;
// Reduce each row
for (auto rIt = groupRows.begin(); rIt != groupRows.end(); ++rIt) {
try {
reduceRow(*rIt);
} catch (std::exception &ex) {
const std::string rowNo =
Mantid::Kernel::Strings::toString<int>(*rIt + 1);
const std::string message =
"Error encountered while processing row " + rowNo + ":\n";
m_view->giveUserCritical(message + ex.what(), "Error");
try {
stitchRows(groupRows);
} catch (std::exception &ex) {
const std::string groupNo =
Mantid::Kernel::Strings::toString<int>(gIt->first);
const std::string message =
"Error encountered while stitching group " + groupNo + ":\n";
m_view->giveUserCritical(message + ex.what(), "Error");
}
return true;
}
/**
Validate rows.
@param rows : Rows in the model to validate
@returns true if all rows are valid and false otherwise
*/
bool ReflMainViewPresenter::rowsValid(std::set<int> rows) {
for (auto it = rows.begin(); it != rows.end(); ++it) {
try {
validateRow(*it);
autofillRow(*it);
} catch (std::exception &ex) {
// Allow two theta to be blank
if (ex.what() ==
std::string("Value for two theta could not be found in log."))
continue;
const std::string rowNo = Mantid::Kernel::Strings::toString<int>(*it + 1);
m_view->giveUserCritical(
"Error found in row " + rowNo + ":\n" + ex.what(), "Error");
return false;
}
return true;
}
/**
Validate a row.
If a row passes validation, it is ready to be autofilled, but
not necessarily ready for processing.
@param rowNo : The row in the model to validate
@throws std::invalid_argument if the row fails validation
*/
void ReflMainViewPresenter::validateRow(int rowNo) const {
if (rowNo >= m_model->rowCount())
throw std::invalid_argument("Invalid row");
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_RUNS))
.toString()
.isEmpty())
throw std::invalid_argument("Run column may not be empty.");
}
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/**
Autofill a row
@param rowNo : The row in the model to autofill
@throws std::runtime_error if the row could not be auto-filled
*/
void ReflMainViewPresenter::autofillRow(int rowNo) {
if (rowNo >= m_model->rowCount())
throw std::runtime_error("Invalid row");
const std::string runStr =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_RUNS))
.toString()
.toStdString();
auto runWS = prepareRunWorkspace(runStr);
auto runMWS = boost::dynamic_pointer_cast<MatrixWorkspace>(runWS);
auto runWSG = boost::dynamic_pointer_cast<WorkspaceGroup>(runWS);
// If we've got a workspace group, use the first workspace in it
if (!runMWS && runWSG)
runMWS = boost::dynamic_pointer_cast<MatrixWorkspace>(runWSG->getItem(0));
if (!runMWS)
throw std::runtime_error("Could not convert " + runWS->name() +
" to a MatrixWorkspace.");
// Fetch two theta from the log if needed
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_ANGLE))
.toString()
.isEmpty()) {
Property *logData = NULL;
// First try TwoTheta
try {
logData = runMWS->mutableRun().getLogData("Theta");
} catch (std::exception &) {
throw std::runtime_error(
"Value for two theta could not be found in log.");
}
auto logPWV = dynamic_cast<const PropertyWithValue<double> *>(logData);
auto logTSP = dynamic_cast<const TimeSeriesProperty<double> *>(logData);
double thetaVal;
if (logPWV)
thetaVal = *logPWV;
else if (logTSP && logTSP->realSize() > 0)
thetaVal = logTSP->lastValue();
else
throw std::runtime_error(
"Value for two theta could not be found in log.");
// Update the model
if (m_options["RoundAngle"].toBool())
thetaVal =
Utils::roundToDP(thetaVal, m_options["RoundAnglePrecision"].toInt());
m_model->setData(m_model->index(rowNo, ReflTableSchema::COL_ANGLE),
thetaVal);
m_tableDirty = true;
}
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// If we need to calculate the resolution, do.
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_DQQ))
.toString()
.isEmpty()) {
IAlgorithm_sptr calcResAlg =
AlgorithmManager::Instance().create("CalculateResolution");
calcResAlg->setProperty("Workspace", runMWS);
calcResAlg->setProperty(
"TwoTheta",
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_ANGLE))
.toString()
.toStdString());
calcResAlg->execute();
if (!calcResAlg->isExecuted())
throw std::runtime_error("CalculateResolution failed. Please manually "
"enter a value in the dQ/Q column.");
// Update the model
double dqqVal = calcResAlg->getProperty("Resolution");
if (m_options["RoundDQQ"].toBool())
dqqVal = Utils::roundToDP(dqqVal, m_options["RoundDQQPrecision"].toInt());
m_model->setData(m_model->index(rowNo, ReflTableSchema::COL_DQQ), dqqVal);
m_tableDirty = true;
}
}
/**
Extracts the run number of a workspace
@param ws : The workspace to fetch the run number from
@returns The run number of the workspace
*/
std::string ReflMainViewPresenter::getRunNumber(const Workspace_sptr &ws) {
// If we can, use the run number from the workspace's sample log
MatrixWorkspace_sptr mws = boost::dynamic_pointer_cast<MatrixWorkspace>(ws);
if (mws) {
try {
const Property *runProperty = mws->mutableRun().getLogData("run_number");
auto runNumber =
dynamic_cast<const PropertyWithValue<std::string> *>(runProperty);
if (runNumber)
return *runNumber;
} catch (Mantid::Kernel::Exception::NotFoundError &) {
// We'll just fall back to looking at the workspace's name
// Okay, let's see what we can get from the workspace's name
const std::string wsName = ws->name();
// Matches TOF_13460 -> 13460
boost::regex outputRegex("(TOF|IvsQ|IvsLam)_([0-9]+)");
// Matches INTER13460 -> 13460
boost::regex instrumentRegex("[a-zA-Z]{3,}([0-9]{3,})");
boost::smatch matches;
if (boost::regex_match(wsName, matches, outputRegex)) {
return matches[2].str();
} else if (boost::regex_match(wsName, matches, instrumentRegex)) {
return matches[1].str();
}
// Resort to using the workspace name
return wsName;
}
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/**
Takes a user specified run, or list of runs, and returns a pointer to the
desired TOF workspace
@param runStr : The run or list of runs (separated by '+')
@throws std::runtime_error if the workspace could not be prepared
@returns a shared pointer to the workspace
*/
Workspace_sptr
ReflMainViewPresenter::prepareRunWorkspace(const std::string &runStr) {
const std::string instrument = m_view->getProcessInstrument();
std::vector<std::string> runs;
boost::split(runs, runStr, boost::is_any_of("+"));
if (runs.empty())
throw std::runtime_error("No runs given");
// Remove leading/trailing whitespace from each run
for (auto runIt = runs.begin(); runIt != runs.end(); ++runIt)
boost::trim(*runIt);
// If we're only given one run, just return that
if (runs.size() == 1)
return loadRun(runs[0], instrument);
const std::string outputName = "TOF_" + boost::algorithm::join(runs, "_");
// Check if we've already prepared it
if (AnalysisDataService::Instance().doesExist(outputName))
return AnalysisDataService::Instance().retrieveWS<Workspace>(outputName);
/* Ideally, this should be executed as a child algorithm to keep the ADS tidy,
* but
* that doesn't preserve history nicely, so we'll just take care of tidying up
* in
* the event of failure.
*/
IAlgorithm_sptr algPlus = AlgorithmManager::Instance().create("Plus");
algPlus->initialize();
algPlus->setProperty("LHSWorkspace", loadRun(runs[0], instrument)->name());
algPlus->setProperty("OutputWorkspace", outputName);
// Drop the first run from the runs list
runs.erase(runs.begin());
try {
// Iterate through all the remaining runs, adding them to the first run
for (auto runIt = runs.begin(); runIt != runs.end(); ++runIt) {
algPlus->setProperty("RHSWorkspace", loadRun(*runIt, instrument)->name());
algPlus->execute();
// After the first execution we replace the LHS with the previous output
algPlus->setProperty("LHSWorkspace", outputName);
}
} catch (...) {
// If we're unable to create the full workspace, discard the partial version
AnalysisDataService::Instance().remove(outputName);
// We've tidied up, now re-throw.
throw;
}
return AnalysisDataService::Instance().retrieveWS<Workspace>(outputName);
}
/**
Loads a run from disk or fetches it from the AnalysisDataService
@param run : The name of the run
@param instrument : The instrument the run belongs to
@throws std::runtime_error if the run could not be loaded
@returns a shared pointer to the workspace
*/
Workspace_sptr
ReflMainViewPresenter::loadRun(const std::string &run,
const std::string &instrument = "") {
// First, let's see if the run given is the name of a workspace in the ADS
if (AnalysisDataService::Instance().doesExist(run))
return AnalysisDataService::Instance().retrieveWS<Workspace>(run);
// Is the run string is numeric
if (boost::regex_match(run, boost::regex("\\d+"))) {
std::string wsName;
// Look for "TOF_<run_number>" in the ADS
wsName = "TOF_" + run;
if (AnalysisDataService::Instance().doesExist(wsName))
return AnalysisDataService::Instance().retrieveWS<Workspace>(wsName);
// Look for "<instrument><run_number>" in the ADS
wsName = instrument + run;
if (AnalysisDataService::Instance().doesExist(wsName))
return AnalysisDataService::Instance().retrieveWS<Workspace>(wsName);
}
// We'll just have to load it ourselves
const std::string filename = instrument + run;
IAlgorithm_sptr algLoadRun = AlgorithmManager::Instance().create("Load");
algLoadRun->initialize();
algLoadRun->setProperty("Filename", filename);
algLoadRun->setProperty("OutputWorkspace", "TOF_" + run);
algLoadRun->execute();
if (!algLoadRun->isExecuted())
throw std::runtime_error("Could not open " + filename);
return AnalysisDataService::Instance().retrieveWS<Workspace>("TOF_" + run);
}
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/**
Reduce a row
@param rowNo : The row in the model to reduce
@throws std::runtime_error if reduction fails
*/
void ReflMainViewPresenter::reduceRow(int rowNo) {
const std::string runStr =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_RUNS))
.toString()
.toStdString();
const std::string transStr =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_TRANSMISSION))
.toString()
.toStdString();
const std::string options =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_OPTIONS))
.toString()
.toStdString();
double theta = 0;
bool thetaGiven =
!m_model->data(m_model->index(rowNo, ReflTableSchema::COL_ANGLE))
.toString()
.isEmpty();
if (thetaGiven)
theta = m_model->data(m_model->index(rowNo, ReflTableSchema::COL_ANGLE))
.toDouble();
auto runWS = prepareRunWorkspace(runStr);
const std::string runNo = getRunNumber(runWS);
Workspace_sptr transWS;
if (!transStr.empty())
transWS = makeTransWS(transStr);
IAlgorithm_sptr algReflOne =
AlgorithmManager::Instance().create("ReflectometryReductionOneAuto");
algReflOne->initialize();
algReflOne->setProperty("InputWorkspace", runWS->name());
if (transWS)
algReflOne->setProperty("FirstTransmissionRun", transWS->name());
algReflOne->setProperty("OutputWorkspace", "IvsQ_" + runNo);
algReflOne->setProperty("OutputWorkspaceWaveLength", "IvsLam_" + runNo);
if (thetaGiven)
algReflOne->setProperty("ThetaIn", theta);
// Parse and set any user-specified options
auto optionsMap = parseKeyValueString(options);
for (auto kvp = optionsMap.begin(); kvp != optionsMap.end(); ++kvp) {
try {
algReflOne->setProperty(kvp->first, kvp->second);
} catch (Mantid::Kernel::Exception::NotFoundError &) {
throw std::runtime_error("Invalid property in options column: " +
kvp->first);
algReflOne->execute();
if (!algReflOne->isExecuted())
throw std::runtime_error("Failed to run ReflectometryReductionOneAuto.");
const double scale =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_SCALE))
.toDouble();
if (scale != 1.0) {
IAlgorithm_sptr algScale = AlgorithmManager::Instance().create("Scale");
algScale->initialize();
algScale->setProperty("InputWorkspace", "IvsQ_" + runNo);
algScale->setProperty("OutputWorkspace", "IvsQ_" + runNo);
algScale->setProperty("Factor", 1.0 / scale);
algScale->execute();
if (!algScale->isExecuted())
throw std::runtime_error("Failed to run Scale algorithm");
}
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// Reduction has completed. Put Qmin and Qmax into the table if needed, for
// stitching.
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMIN))
.toString()
.isEmpty() ||
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMAX))
.toString()
.isEmpty()) {
Workspace_sptr ws =
AnalysisDataService::Instance().retrieveWS<Workspace>("IvsQ_" + runNo);
std::vector<double> qrange = calcQRange(ws, theta);
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMIN))
.toString()
.isEmpty())
m_model->setData(m_model->index(rowNo, ReflTableSchema::COL_QMIN),
qrange[0]);
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMAX))
.toString()
.isEmpty())
m_model->setData(m_model->index(rowNo, ReflTableSchema::COL_QMAX),
qrange[1]);
m_tableDirty = true;
}
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// We need to make sure that qmin and qmax are respected, so we rebin to
// those limits here.
IAlgorithm_sptr algCrop = AlgorithmManager::Instance().create("Rebin");
algCrop->initialize();
algCrop->setProperty("InputWorkspace", "IvsQ_" + runNo);
algCrop->setProperty("OutputWorkspace", "IvsQ_" + runNo);
const double qmin =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMIN))
.toDouble();
const double qmax =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_QMAX))
.toDouble();
const double dqq =
m_model->data(m_model->index(rowNo, ReflTableSchema::COL_DQQ)).toDouble();
std::vector<double> params;
params.push_back(qmin);
params.push_back(-dqq);
params.push_back(qmax);
algCrop->setProperty("Params", params);
algCrop->execute();
if (!algCrop->isExecuted())
throw std::runtime_error("Failed to run Rebin algorithm");
// Also fill in theta if needed
if (m_model->data(m_model->index(rowNo, ReflTableSchema::COL_ANGLE))
.toString()
.isEmpty() &&
thetaGiven)
m_model->setData(m_model->index(rowNo, ReflTableSchema::COL_ANGLE), theta);
}
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/**
Calculates the minimum and maximum values for Q
@param ws : The workspace to fetch the instrument values from
@param theta : The value of two theta to use in calculations
*/
std::vector<double> ReflMainViewPresenter::calcQRange(Workspace_sptr ws,
double theta) {
auto mws = boost::dynamic_pointer_cast<MatrixWorkspace>(ws);
auto wsg = boost::dynamic_pointer_cast<WorkspaceGroup>(ws);
// If we've got a workspace group, use the first workspace in it
if (!mws && wsg)
mws = boost::dynamic_pointer_cast<MatrixWorkspace>(wsg->getItem(0));
if (!mws)
throw std::runtime_error("Could not convert " + ws->name() +
" to a MatrixWorkspace.");
double lmin, lmax;
try {
const Instrument_const_sptr instrument = mws->getInstrument();
lmin = instrument->getNumberParameter("LambdaMin")[0];
lmax = instrument->getNumberParameter("LambdaMax")[0];
} catch (std::exception &) {
throw std::runtime_error("LambdaMin/LambdaMax instrument parameters are "
"required to calculate qmin/qmax");
}
double qmin = 4 * M_PI / lmax * sin(theta * M_PI / 180.0);
double qmax = 4 * M_PI / lmin * sin(theta * M_PI / 180.0);
if (m_options["RoundQMin"].toBool())
qmin = Utils::roundToDP(qmin, m_options["RoundQMinPrecision"].toInt());
if (m_options["RoundQMax"].toBool())
qmax = Utils::roundToDP(qmax, m_options["RoundQMaxPrecision"].toInt());
std::vector<double> ret;
ret.push_back(qmin);
ret.push_back(qmax);
return ret;
}
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/**
Stitches the workspaces created by the given rows together.
@param rows : the list of rows
*/
void ReflMainViewPresenter::stitchRows(std::set<int> rows) {
// If we can get away with doing nothing, do.
if (rows.size() < 2)
return;
// Properties for Stitch1DMany
std::vector<std::string> workspaceNames;
std::vector<std::string> runs;
std::vector<double> params;
std::vector<double> startOverlaps;
std::vector<double> endOverlaps;
// Go through each row and prepare the properties
for (auto rowIt = rows.begin(); rowIt != rows.end(); ++rowIt) {
const std::string runStr =
m_model->data(m_model->index(*rowIt, ReflTableSchema::COL_RUNS))
.toString()
.toStdString();
const double qmin =
m_model->data(m_model->index(*rowIt, ReflTableSchema::COL_QMIN))
.toDouble();
const double qmax =
m_model->data(m_model->index(*rowIt, ReflTableSchema::COL_QMAX))
.toDouble();
Workspace_sptr runWS = prepareRunWorkspace(runStr);
if (runWS) {
const std::string runNo = getRunNumber(runWS);
if (AnalysisDataService::Instance().doesExist("IvsQ_" + runNo)) {
runs.push_back(runNo);
workspaceNames.push_back("IvsQ_" + runNo);
}
startOverlaps.push_back(qmin);
endOverlaps.push_back(qmax);
}
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double dqq =
m_model->data(m_model->index(*(rows.begin()), ReflTableSchema::COL_DQQ))
.toDouble();
// params are qmin, -dqq, qmax for the final output
params.push_back(
*std::min_element(startOverlaps.begin(), startOverlaps.end()));
params.push_back(-dqq);
params.push_back(*std::max_element(endOverlaps.begin(), endOverlaps.end()));
// startOverlaps and endOverlaps need to be slightly offset from each other
// See usage examples of Stitch1DMany to see why we discard first qmin and
// last qmax
startOverlaps.erase(startOverlaps.begin());
endOverlaps.pop_back();
std::string outputWSName = "IvsQ_" + boost::algorithm::join(runs, "_");
// If the previous stitch result is in the ADS already, we'll need to remove
// it.
// If it's a group, we'll get an error for trying to group into a used group
// name
if (AnalysisDataService::Instance().doesExist(outputWSName))
AnalysisDataService::Instance().remove(outputWSName);
IAlgorithm_sptr algStitch =
AlgorithmManager::Instance().create("Stitch1DMany");
algStitch->initialize();
algStitch->setProperty("InputWorkspaces", workspaceNames);
algStitch->setProperty("OutputWorkspace", outputWSName);
algStitch->setProperty("Params", params);
algStitch->setProperty("StartOverlaps", startOverlaps);
algStitch->setProperty("EndOverlaps", endOverlaps);
algStitch->execute();
if (!algStitch->isExecuted())
throw std::runtime_error("Failed to run Stitch1DMany on IvsQ workspaces.");
}
/**
Create a transmission workspace
@param transString : the numbers of the transmission runs to use
*/
Workspace_sptr
ReflMainViewPresenter::makeTransWS(const std::string &transString) {
const size_t maxTransWS = 2;
std::vector<std::string> transVec;
std::vector<Workspace_sptr> transWSVec;
// Take the first two run numbers
boost::split(transVec, transString, boost::is_any_of(","));
if (transVec.size() > maxTransWS)
transVec.resize(maxTransWS);
if (transVec.size() == 0)
throw std::runtime_error("Failed to parse the transmission run list.");
for (auto it = transVec.begin(); it != transVec.end(); ++it)
transWSVec.push_back(loadRun(*it, m_view->getProcessInstrument()));
// If the transmission workspace is already in the ADS, re-use it
std::string lastName = "TRANS_" + boost::algorithm::join(transVec, "_");
if (AnalysisDataService::Instance().doesExist(lastName))
return AnalysisDataService::Instance().retrieveWS<Workspace>(lastName);
// We have the runs, so we can create a TransWS
IAlgorithm_sptr algCreateTrans =
AlgorithmManager::Instance().create("CreateTransmissionWorkspaceAuto");
algCreateTrans->initialize();
algCreateTrans->setProperty("FirstTransmissionRun", transWSVec[0]->name());
if (transWSVec.size() > 1)
algCreateTrans->setProperty("SecondTransmissionRun", transWSVec[1]->name());
std::string wsName = "TRANS_" + getRunNumber(transWSVec[0]);
if (transWSVec.size() > 1)
wsName += "_" + getRunNumber(transWSVec[1]);
algCreateTrans->setProperty("OutputWorkspace", wsName);
if (!algCreateTrans->isInitialized())
throw std::runtime_error(
"Could not initialize CreateTransmissionWorkspaceAuto");
algCreateTrans->execute();