void EQSANSLoad::exec() {
// Verify the validity of the inputs
// TODO: this should be done by the new data management algorithm used for
// live data reduction (when it's implemented...)
const std::string fileName = getPropertyValue("Filename");
EventWorkspace_sptr inputEventWS = getProperty("InputWorkspace");
if (fileName.size() == 0 && !inputEventWS) {
g_log.error() << "EQSANSLoad input error: Either a valid file path or an "
"input workspace must be provided\n";
throw std::runtime_error("EQSANSLoad input error: Either a valid file path "
"or an input workspace must be provided");
} else if (fileName.size() > 0 && inputEventWS) {
g_log.error() << "EQSANSLoad input error: Either a valid file path or an "
"input workspace must be provided, but not both\n";
throw std::runtime_error("EQSANSLoad input error: Either a valid file path "
"or an input workspace must be provided, but not "
"both");
}
// Read in default TOF cuts
const bool skipTOFCorrection = getProperty("SkipTOFCorrection");
m_low_TOF_cut = getProperty("LowTOFCut");
m_high_TOF_cut = getProperty("HighTOFCut");
// Read in default beam center
m_center_x = getProperty("BeamCenterX");
m_center_y = getProperty("BeamCenterY");
const bool noBeamCenter = getProperty("NoBeamCenter");
// Reduction property manager
const std::string reductionManagerName = getProperty("ReductionProperties");
boost::shared_ptr<PropertyManager> reductionManager;
if (PropertyManagerDataService::Instance().doesExist(reductionManagerName)) {
reductionManager =
PropertyManagerDataService::Instance().retrieve(reductionManagerName);
} else {
reductionManager = boost::make_shared<PropertyManager>();
PropertyManagerDataService::Instance().addOrReplace(reductionManagerName,
reductionManager);
}
if (!reductionManager->existsProperty("LoadAlgorithm")) {
auto loadProp = make_unique<AlgorithmProperty>("LoadAlgorithm");
setPropertyValue("InputWorkspace", "");
setProperty("NoBeamCenter", false);
loadProp->setValue(toString());
reductionManager->declareProperty(std::move(loadProp));
}
if (!reductionManager->existsProperty("InstrumentName")) {
reductionManager->declareProperty(
make_unique<PropertyWithValue<std::string>>("InstrumentName",
"EQSANS"));
}
// Output log
m_output_message = "";
// Check whether we need to load the data
if (!inputEventWS) {
const bool loadMonitors = getProperty("LoadMonitors");
IAlgorithm_sptr loadAlg = createChildAlgorithm("LoadEventNexus", 0, 0.2);
loadAlg->setProperty("LoadMonitors", loadMonitors);
loadAlg->setProperty("MonitorsAsEvents", false);
loadAlg->setProperty("Filename", fileName);
if (skipTOFCorrection) {
if (m_low_TOF_cut > 0.0)
loadAlg->setProperty("FilterByTofMin", m_low_TOF_cut);
if (m_high_TOF_cut > 0.0)
loadAlg->setProperty("FilterByTofMax", m_high_TOF_cut);
}
loadAlg->execute();
Workspace_sptr dataWS_asWks = loadAlg->getProperty("OutputWorkspace");
dataWS = boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS_asWks);
// Get monitor workspace as necessary
std::string mon_wsname = getPropertyValue("OutputWorkspace") + "_monitors";
if (loadMonitors && loadAlg->existsProperty("MonitorWorkspace")) {
Workspace_sptr monWSOutput = loadAlg->getProperty("MonitorWorkspace");
MatrixWorkspace_sptr monWS =
boost::dynamic_pointer_cast<MatrixWorkspace>(monWSOutput);
if ((monWSOutput) && (!monWS)) {
// this was a group workspace - EQSansLoad does not support multi period
// data yet
throw Exception::NotImplementedError("The file contains multi period "
"data, support for this is not "
"implemented in EQSANSLoad yet");
}
declareProperty(Kernel::make_unique<WorkspaceProperty<>>(
"MonitorWorkspace", mon_wsname, Direction::Output),
"Monitors from the Event NeXus file");
setProperty("MonitorWorkspace", monWS);
}
} else {
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
EventWorkspace_sptr outputEventWS =
boost::dynamic_pointer_cast<EventWorkspace>(outputWS);
if (inputEventWS != outputEventWS) {
IAlgorithm_sptr copyAlg = createChildAlgorithm("CloneWorkspace", 0, 0.2);
copyAlg->setProperty("InputWorkspace", inputEventWS);
copyAlg->executeAsChildAlg();
Workspace_sptr dataWS_asWks = copyAlg->getProperty("OutputWorkspace");
dataWS = boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS_asWks);
} else {
dataWS = boost::dynamic_pointer_cast<MatrixWorkspace>(inputEventWS);
}
}
// Get the sample-detector distance
double sdd = 0.0;
const double sample_det_dist = getProperty("SampleDetectorDistance");
if (!isEmpty(sample_det_dist)) {
sdd = sample_det_dist;
} else {
if (!dataWS->run().hasProperty("detectorZ")) {
g_log.error()
<< "Could not determine Z position: the "
"SampleDetectorDistance property was not set "
"and the run logs do not contain the detectorZ property\n";
throw std::invalid_argument(
"Could not determine Z position: stopping execution");
}
const std::string dzName = "detectorZ";
Mantid::Kernel::Property *prop = dataWS->run().getProperty(dzName);
Mantid::Kernel::TimeSeriesProperty<double> *dp =
dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double> *>(prop);
if (!dp) {
throw std::runtime_error("Could not cast (interpret) the property " +
dzName + " as a time series property value.");
}
sdd = dp->getStatistics().mean;
// Modify SDD according to offset if given
const double sample_det_offset =
getProperty("SampleDetectorDistanceOffset");
if (!isEmpty(sample_det_offset)) {
sdd += sample_det_offset;
}
}
dataWS->mutableRun().addProperty("sample_detector_distance", sdd, "mm", true);
// Move the detector to its correct position
IAlgorithm_sptr mvAlg =
createChildAlgorithm("MoveInstrumentComponent", 0.2, 0.4);
mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
mvAlg->setProperty("ComponentName", "detector1");
mvAlg->setProperty("Z", sdd / 1000.0);
mvAlg->setProperty("RelativePosition", false);
mvAlg->executeAsChildAlg();
g_log.information() << "Moving detector to " << sdd / 1000.0 << " meters\n";
m_output_message += " Detector position: " +
Poco::NumberFormatter::format(sdd / 1000.0, 3) + " m\n";
// Get the run number so we can find the proper config file
int run_number = 0;
std::string config_file = "";
if (dataWS->run().hasProperty("run_number")) {
const std::string run_str =
dataWS->run().getPropertyValueAsType<std::string>("run_number");
Poco::NumberParser::tryParse(run_str, run_number);
// Find a proper config file
config_file = findConfigFile(run_number);
} else {
g_log.error() << "Could not find run number for workspace "
<< getPropertyValue("OutputWorkspace") << '\n';
m_output_message += " Could not find run number for data file\n";
}
// Process the config file
bool use_config = getProperty("UseConfig");
if (use_config && config_file.size() > 0) {
// Special case to force reading the beam center from the config file
// We're adding this to be compatible with the original EQSANS load
// written in python
if (m_center_x == 0.0 && m_center_y == 0.0) {
setProperty("UseConfigBeam", true);
}
readConfigFile(config_file);
} else if (use_config) {
use_config = false;
g_log.error() << "Cound not find config file for workspace "
<< getPropertyValue("OutputWorkspace") << '\n';
m_output_message += " Could not find configuration file for run " +
Poco::NumberFormatter::format(run_number) + "\n";
}
// If we use the config file, move the moderator position
if (use_config) {
if (m_moderator_position > -13.0)
g_log.error()
<< "Moderator position seems close to the sample, please check\n";
g_log.information() << "Moving moderator to " << m_moderator_position
<< '\n';
m_output_message += " Moderator position: " +
Poco::NumberFormatter::format(m_moderator_position) +
" m\n";
mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.4, 0.45);
mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
mvAlg->setProperty("ComponentName", "moderator");
mvAlg->setProperty("Z", m_moderator_position);
mvAlg->setProperty("RelativePosition", false);
mvAlg->executeAsChildAlg();
}
// Get source aperture radius
getSourceSlitSize();
// Move the beam center to its proper position
if (!noBeamCenter) {
if (isEmpty(m_center_x) || isEmpty(m_center_y)) {
if (reductionManager->existsProperty("LatestBeamCenterX") &&
reductionManager->existsProperty("LatestBeamCenterY")) {
m_center_x = reductionManager->getProperty("LatestBeamCenterX");
m_center_y = reductionManager->getProperty("LatestBeamCenterY");
}
}
moveToBeamCenter();
// Add beam center to reduction properties, as the last beam center position
// that was used.
// This will give us our default position next time.
if (!reductionManager->existsProperty("LatestBeamCenterX"))
reductionManager->declareProperty(make_unique<PropertyWithValue<double>>(
"LatestBeamCenterX", m_center_x));
else
reductionManager->setProperty("LatestBeamCenterX", m_center_x);
if (!reductionManager->existsProperty("LatestBeamCenterY"))
reductionManager->declareProperty(make_unique<PropertyWithValue<double>>(
"LatestBeamCenterY", m_center_y));
else
reductionManager->setProperty("LatestBeamCenterY", m_center_y);
}
// Modify TOF
const bool correct_for_flight_path = getProperty("CorrectForFlightPath");
double wl_min = 0.0;
double wl_max = 0.0;
double wl_combined_max = 0.0;
if (skipTOFCorrection) {
m_output_message +=
" Skipping EQSANS TOF correction: assuming a single frame\n";
dataWS->mutableRun().addProperty("is_frame_skipping", 0, true);
if (correct_for_flight_path) {
g_log.error() << "CorrectForFlightPath and SkipTOFCorrection can't be "
"set to true at the same time\n";
m_output_message += " Skipped flight path correction: see error log\n";
}
} else {
m_output_message += " Flight path correction ";
if (!correct_for_flight_path)
m_output_message += "NOT ";
m_output_message += "applied\n";
DataObjects::EventWorkspace_sptr dataWS_evt =
boost::dynamic_pointer_cast<EventWorkspace>(dataWS);
IAlgorithm_sptr tofAlg =
createChildAlgorithm("EQSANSTofStructure", 0.5, 0.7);
tofAlg->setProperty<EventWorkspace_sptr>("InputWorkspace", dataWS_evt);
tofAlg->setProperty("LowTOFCut", m_low_TOF_cut);
tofAlg->setProperty("HighTOFCut", m_high_TOF_cut);
tofAlg->setProperty("FlightPathCorrection", correct_for_flight_path);
tofAlg->executeAsChildAlg();
wl_min = tofAlg->getProperty("WavelengthMin");
wl_max = tofAlg->getProperty("WavelengthMax");
if (wl_min != wl_min || wl_max != wl_max) {
g_log.error() << "Bad wavelength range\n";
g_log.error() << m_output_message << '\n';
}
const bool frame_skipping = tofAlg->getProperty("FrameSkipping");
dataWS->mutableRun().addProperty("wavelength_min", wl_min, "Angstrom",
true);
dataWS->mutableRun().addProperty("wavelength_max", wl_max, "Angstrom",
true);
dataWS->mutableRun().addProperty("is_frame_skipping", int(frame_skipping),
true);
wl_combined_max = wl_max;
m_output_message += " Wavelength range: " +
Poco::NumberFormatter::format(wl_min) + " - " +
Poco::NumberFormatter::format(wl_max);
if (frame_skipping) {
const double wl_min2 = tofAlg->getProperty("WavelengthMinFrame2");
const double wl_max2 = tofAlg->getProperty("WavelengthMaxFrame2");
wl_combined_max = wl_max2;
dataWS->mutableRun().addProperty("wavelength_min_frame2", wl_min2,
"Angstrom", true);
dataWS->mutableRun().addProperty("wavelength_max_frame2", wl_max2,
"Angstrom", true);
m_output_message += " and " + Poco::NumberFormatter::format(wl_min2) +
" - " + Poco::NumberFormatter::format(wl_max2) +
" Angstrom\n";
} else
m_output_message += " Angstrom\n";
}
// Convert to wavelength
const double ssd =
fabs(dataWS->getInstrument()->getSource()->getPos().Z()) * 1000.0;
const double conversion_factor = 3.9560346 / (sdd + ssd);
m_output_message += " TOF to wavelength conversion factor: " +
Poco::NumberFormatter::format(conversion_factor) + "\n";
if (skipTOFCorrection) {
DataObjects::EventWorkspace_sptr dataWS_evt =
boost::dynamic_pointer_cast<EventWorkspace>(dataWS);
if (dataWS_evt->getNumberEvents() == 0)
throw std::invalid_argument("No event to process: check your TOF cuts");
wl_min = dataWS_evt->getTofMin() * conversion_factor;
wl_max = dataWS_evt->getTofMax() * conversion_factor;
wl_combined_max = wl_max;
g_log.information() << "Wavelength range: " << wl_min << " to " << wl_max
<< '\n';
dataWS->mutableRun().addProperty("wavelength_min", wl_min, "Angstrom",
true);
dataWS->mutableRun().addProperty("wavelength_max", wl_max, "Angstrom",
true);
}
IAlgorithm_sptr scAlg = createChildAlgorithm("ScaleX", 0.7, 0.71);
scAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
scAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
scAlg->setProperty("Factor", conversion_factor);
scAlg->executeAsChildAlg();
dataWS->getAxis(0)->setUnit("Wavelength");
// Rebin so all the wavelength bins are aligned
const bool preserveEvents = getProperty("PreserveEvents");
const double wl_step = getProperty("WavelengthStep");
const double wl_min_rounded = round(wl_min * 100.0) / 100.0;
const double wl_max_rounded = round(wl_combined_max * 100.0) / 100.0;
std::string params = Poco::NumberFormatter::format(wl_min_rounded, 2) + "," +
Poco::NumberFormatter::format(wl_step) + "," +
Poco::NumberFormatter::format(wl_max_rounded, 2);
g_log.information() << "Rebin parameters: " << params << '\n';
IAlgorithm_sptr rebinAlg = createChildAlgorithm("Rebin", 0.71, 0.72);
rebinAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
if (preserveEvents)
rebinAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
rebinAlg->setPropertyValue("Params", params);
rebinAlg->setProperty("PreserveEvents", preserveEvents);
rebinAlg->executeAsChildAlg();
if (!preserveEvents)
dataWS = rebinAlg->getProperty("OutputWorkspace");
dataWS->mutableRun().addProperty("event_ws",
getPropertyValue("OutputWorkspace"), true);
setProperty<MatrixWorkspace_sptr>(
"OutputWorkspace", boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS));
// m_output_message = "Loaded " + fileName + '\n' + m_output_message;
setPropertyValue("OutputMessage", m_output_message);
}
void EQSANSLoad::exec()
{
// Read in default TOF cuts
m_low_TOF_cut = getProperty("LowTOFCut");
m_high_TOF_cut = getProperty("HighTOFCut");
// Read in default beam center
m_center_x = getProperty("BeamCenterX");
m_center_y = getProperty("BeamCenterY");
TableWorkspace_sptr reductionTable = getProperty("ReductionTableWorkspace");
ReductionTableHandler reductionHandler(reductionTable);
if (!reductionTable)
{
const std::string reductionTableName = getPropertyValue("ReductionTableWorkspace");
if (reductionTableName.size()>0) setProperty("ReductionTableWorkspace", reductionHandler.getTable());
}
if (reductionHandler.findStringEntry("LoadAlgorithm").size()==0)
reductionHandler.addEntry("LoadAlgorithm", toString());
const std::string fileName = getPropertyValue("Filename");
// Output log
m_output_message = "";
IAlgorithm_sptr loadAlg = createSubAlgorithm("LoadEventNexus", 0, 0.2);
loadAlg->setProperty("Filename", fileName);
loadAlg->executeAsSubAlg();
IEventWorkspace_sptr dataWS_tmp = loadAlg->getProperty("OutputWorkspace");
dataWS = boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS_tmp);
// Get the sample-detector distance
double sdd = 0.0;
const double sample_det_dist = getProperty("SampleDetectorDistance");
if (!isEmpty(sample_det_dist))
{
sdd = sample_det_dist;
} else {
Mantid::Kernel::Property* prop = dataWS->run().getProperty("detectorZ");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
sdd = dp->getStatistics().mean;
// Modify SDD according to offset if given
const double sample_det_offset = getProperty("SampleDetectorDistanceOffset");
if (!isEmpty(sample_det_offset))
{
sdd += sample_det_offset;
}
}
dataWS->mutableRun().addProperty("sample_detector_distance", sdd, "mm", true);
// Move the detector to its correct position
IAlgorithm_sptr mvAlg = createSubAlgorithm("MoveInstrumentComponent", 0.2, 0.4);
mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
mvAlg->setProperty("ComponentName", "detector1");
mvAlg->setProperty("Z", sdd/1000.0);
mvAlg->setProperty("RelativePosition", false);
mvAlg->executeAsSubAlg();
g_log.information() << "Moving detector to " << sdd/1000.0 << std::endl;
m_output_message += " Detector position: " + Poco::NumberFormatter::format(sdd/1000.0, 3) + " m\n";
// Get the run number so we can find the proper config file
int run_number = 0;
std::string config_file = "";
if (dataWS->run().hasProperty("run_number"))
{
Mantid::Kernel::Property* prop = dataWS->run().getProperty("run_number");
Mantid::Kernel::PropertyWithValue<std::string>* dp = dynamic_cast<Mantid::Kernel::PropertyWithValue<std::string>* >(prop);
const std::string run_str = *dp;
Poco::NumberParser::tryParse(run_str, run_number);
// Find a proper config file
config_file = findConfigFile(run_number);
} else {
g_log.error() << "Could not find run number for workspace " << getPropertyValue("OutputWorkspace") << std::endl;
m_output_message += " Could not find run number for data file\n";
}
// Process the config file
bool use_config = getProperty("UseConfig");
if (use_config && config_file.size()>0)
{
readConfigFile(config_file);
} else if (use_config) {
use_config = false;
g_log.error() << "Cound not find config file for workspace " << getPropertyValue("OutputWorkspace") << std::endl;
m_output_message += " Could not find configuration file for run " + Poco::NumberFormatter::format(run_number) + "\n";
}
// If we use the config file, move the moderator position
if (use_config)
{
if (m_moderator_position > -13.0)
g_log.error() << "Moderator position seems close to the sample, please check" << std::endl;
g_log.information() << "Moving moderator to " << m_moderator_position << std::endl;
m_output_message += " Moderator position: " + Poco::NumberFormatter::format(m_moderator_position, 3) + " m\n";
mvAlg = createSubAlgorithm("MoveInstrumentComponent", 0.4, 0.45);
mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
mvAlg->setProperty("ComponentName", "moderator");
mvAlg->setProperty("Z", m_moderator_position);
mvAlg->setProperty("RelativePosition", false);
mvAlg->executeAsSubAlg();
}
// Get source aperture radius
getSourceSlitSize();
// Move the beam center to its proper position
moveToBeamCenter();
// Modify TOF
bool correct_for_flight_path = getProperty("CorrectForFlightPath");
m_output_message += " Flight path correction ";
if (!correct_for_flight_path) m_output_message += "NOT ";
m_output_message += "applied\n";
DataObjects::EventWorkspace_sptr dataWS_evt = boost::dynamic_pointer_cast<EventWorkspace>(dataWS_tmp);
IAlgorithm_sptr tofAlg = createSubAlgorithm("EQSANSTofStructure", 0.5, 0.7);
tofAlg->setProperty<EventWorkspace_sptr>("InputWorkspace", dataWS_evt);
tofAlg->setProperty("LowTOFCut", m_low_TOF_cut);
tofAlg->setProperty("HighTOFCut", m_high_TOF_cut);
tofAlg->setProperty("FlightPathCorrection", correct_for_flight_path);
tofAlg->executeAsSubAlg();
const double wl_min = tofAlg->getProperty("WavelengthMin");
const double wl_max = tofAlg->getProperty("WavelengthMax");
const bool frame_skipping = tofAlg->getProperty("FrameSkipping");
dataWS->mutableRun().addProperty("wavelength_min", wl_min, "Angstrom", true);
dataWS->mutableRun().addProperty("wavelength_max", wl_max, "Angstrom", true);
dataWS->mutableRun().addProperty("is_frame_skipping", int(frame_skipping), true);
double wl_combined_max = wl_max;
m_output_message += " Wavelength range: " + Poco::NumberFormatter::format(wl_min, 1)
+ " - " + Poco::NumberFormatter::format(wl_max, 1);
if (frame_skipping)
{
const double wl_min2 = tofAlg->getProperty("WavelengthMinFrame2");
const double wl_max2 = tofAlg->getProperty("WavelengthMaxFrame2");
wl_combined_max = wl_max2;
dataWS->mutableRun().addProperty("wavelength_min_frame2", wl_min2, "Angstrom", true);
dataWS->mutableRun().addProperty("wavelength_max_frame2", wl_max2, "Angstrom", true);
m_output_message += " and " + Poco::NumberFormatter::format(wl_min2, 1)
+ " - " + Poco::NumberFormatter::format(wl_max2, 1) + " Angstrom\n";
} else
m_output_message += " Angstrom\n";
// Convert to wavelength
const double ssd = fabs(dataWS->getInstrument()->getSource()->getPos().Z())*1000.0;
const double conversion_factor = 3.9560346 / (sdd+ssd);
m_output_message += " TOF to wavelength conversion factor: " + Poco::NumberFormatter::format(conversion_factor) + "\n";
IAlgorithm_sptr scAlg = createSubAlgorithm("ScaleX", 0.7, 0.71);
scAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
scAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
scAlg->setProperty("Factor", conversion_factor);
scAlg->executeAsSubAlg();
dataWS->getAxis(0)->setUnit("Wavelength");
// Rebin so all the wavelength bins are aligned
const bool preserveEvents = getProperty("PreserveEvents");
std::string params = Poco::NumberFormatter::format(wl_min, 2)
+ ",0.1," + Poco::NumberFormatter::format(wl_combined_max, 2);
IAlgorithm_sptr rebinAlg = createSubAlgorithm("Rebin", 0.71, 0.72);
rebinAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", dataWS);
if (preserveEvents) rebinAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", dataWS);
rebinAlg->setPropertyValue("Params", params);
rebinAlg->setProperty("PreserveEvents", preserveEvents);
rebinAlg->executeAsSubAlg();
if (!preserveEvents) dataWS = rebinAlg->getProperty("OutputWorkspace");
dataWS->mutableRun().addProperty("event_ws", getPropertyValue("OutputWorkspace"), true);
setProperty<MatrixWorkspace_sptr>("OutputWorkspace", boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS));
setPropertyValue("OutputMessage", m_output_message);
}
