/// Get the source slit size from the slit information of the run properties
void EQSANSLoad::getSourceSlitSize()
{
if (!dataWS->run().hasProperty("vBeamSlit"))
{
m_output_message += " Could not determine source aperture diameter: ";
m_output_message += "slit parameters were not found in the run log\n";
return;
}
Mantid::Kernel::Property* prop = dataWS->run().getProperty("vBeamSlit");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
int slit1 = (int)dp->getStatistics().mean;
prop = dataWS->run().getProperty("vBeamSlit2");
dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
int slit2 = (int)dp->getStatistics().mean;
prop = dataWS->run().getProperty("vBeamSlit3");
dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
int slit3 = (int)dp->getStatistics().mean;
if (slit1<0 && slit2<0 && slit3<0)
{
m_output_message += " Could not determine source aperture diameter\n";
return;
}
// Default slit size
double S1 = 20.0;
double L1 = -1.0;
const double ssd = fabs(dataWS->getInstrument()->getSource()->getPos().Z())*1000.0;
int slits[3] = {slit1, slit2, slit3};
for (int i=0; i<3; i++)
{
int m = slits[i]-1;
if (m>=0 && m<6)
{
double x = m_slit_positions[i][m];
double y = ssd - m_slit_to_source[i];
if (L1<0 || x/y<S1/L1)
{
L1 = y;
S1 = x;
}
}
}
dataWS->mutableRun().addProperty("source-aperture-diameter", S1, "mm", true);
m_output_message += " Source aperture diameter: ";
Poco::NumberFormatter::append(m_output_message, S1, 1);
m_output_message += " mm\n";
}
double RefReduction::calculateAngleREFL(MatrixWorkspace_sptr workspace)
{
Mantid::Kernel::Property* prop = workspace->run().getProperty("ths");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
const double ths = dp->getStatistics().mean;
prop = workspace->run().getProperty("tthd");
dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
const double tthd = dp->getStatistics().mean;
double offset = getProperty("AngleOffset");
if (isEmpty(offset)) offset = 0.0;
return tthd - ths + offset;
}
/**
* Extract the first good frame of a workspace
* @param ws :: a workspace
* @returns the date and time of the first good frame
*/
DateAndTime
ChangeTimeZero::getStartTimeFromWorkspace(API::MatrixWorkspace_sptr ws) const {
auto run = ws->run();
// Check for the first good frame in the log
Mantid::Kernel::TimeSeriesProperty<double> *goodFrame = NULL;
try {
goodFrame = run.getTimeSeriesProperty<double>("proton_charge");
} catch (std::invalid_argument) {
throw std::invalid_argument("ChangeTimeZero: The log needs a proton_charge "
"time series to determine the zero time.");
}
DateAndTime startTime;
if (goodFrame->size() > 0) {
startTime = goodFrame->firstTime();
}
return startTime;
}
double RefReduction::calculateAngleREFM(MatrixWorkspace_sptr workspace)
{
double dangle = getProperty("DetectorAngle");
if (isEmpty(dangle))
{
Mantid::Kernel::Property* prop = workspace->run().getProperty("DANGLE");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
dangle = dp->getStatistics().mean;
}
double dangle0 = getProperty("DetectorAngle0");
if (isEmpty(dangle0))
{
Mantid::Kernel::Property* prop = workspace->run().getProperty("DANGLE0");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
dangle0 = dp->getStatistics().mean;
}
Mantid::Kernel::Property* prop = workspace->run().getProperty("SampleDetDis");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
const double det_distance = dp->getStatistics().mean/1000.0;
double direct_beam_pix = getProperty("DirectPixel");
if (isEmpty(direct_beam_pix))
{
Mantid::Kernel::Property* prop = workspace->run().getProperty("DIRPIX");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
direct_beam_pix = dp->getStatistics().mean;
}
double ref_pix = getProperty("ReflectivityPixel");
if (ref_pix==0 || isEmpty(ref_pix))
{
const std::vector<int> peakRange = getProperty("SignalPeakPixelRange");
if (peakRange.size()<2) {
g_log.error() << "SignalPeakPixelRange parameter should be a vector of two values" << std::endl;
throw std::invalid_argument("SignalPeakPixelRange parameter should be a vector of two values");
}
ref_pix = (peakRange[0] + peakRange[1])/2.0;
}
double theta = (dangle-dangle0)*M_PI/180.0/2.0
+ ((direct_beam_pix-ref_pix)*PIXEL_SIZE)/ (2.0*det_distance);
return theta*180.0/M_PI;
}
/**
* reads the .log stream and creates timeseries property and sets that to the run object
* @param logFileStream :: The stream of the log file (data).
* @param logFileName :: The name of the log file to load.
* @param run :: The run information object
*/
void LoadLog::loadThreeColumnLogFile(std::ifstream& logFileStream, std::string logFileName, API::Run& run)
{
std::string str;
std::string propname;
Mantid::Kernel::TimeSeriesProperty<double>* logd = 0;
Mantid::Kernel::TimeSeriesProperty<std::string>* logs = 0;
std::map<std::string,Kernel::TimeSeriesProperty<double>*> dMap;
std::map<std::string,Kernel::TimeSeriesProperty<std::string>*> sMap;
typedef std::pair<std::string,Kernel::TimeSeriesProperty<double>* > dpair;
typedef std::pair<std::string,Kernel::TimeSeriesProperty<std::string>* > spair;
kind l_kind(LoadLog::empty);
bool isNumeric(false);
if (!logFileStream)
{
throw std::invalid_argument("Unable to open file " + m_filename);
}
while(Mantid::Kernel::Strings::extractToEOL(logFileStream,str))
{
if ( !isDateTimeString(str) )
{
throw std::invalid_argument("File" + logFileName + " is not a standard ISIS log file. Expected to be a file starting with DateTime String format.");
}
if (!Kernel::TimeSeriesProperty<double>::isTimeString(str) || (str[0]=='#'))
{ //if the line doesn't start with a time read the next line
continue;
}
std::stringstream line(str);
std::string timecolumn;
line >> timecolumn;
std::string blockcolumn;
line >> blockcolumn;
l_kind = classify(blockcolumn);
if ( LoadLog::string != l_kind )
{
throw std::invalid_argument("ISIS log file contains unrecognised second column entries:" + logFileName);
}
std::string valuecolumn;
line >> valuecolumn;
l_kind = classify(valuecolumn);
if ( LoadLog::string != l_kind && LoadLog::number != l_kind)
{
continue; //no value defined, just skip this entry
}
// column two in .log file is called block column
propname = stringToLower(blockcolumn);
//check if the data is numeric
std::istringstream istr(valuecolumn);
double dvalue;
istr >> dvalue;
isNumeric = !istr.fail();
if (isNumeric)
{
std::map<std::string,Kernel::TimeSeriesProperty<double>*>::iterator ditr = dMap.find(propname);
if(ditr != dMap.end())
{
Kernel::TimeSeriesProperty<double>* prop = ditr->second;
if (prop) prop->addValue(timecolumn,dvalue);
}
else
{
logd = new Kernel::TimeSeriesProperty<double>(propname);
logd->addValue(timecolumn,dvalue);
dMap.insert(dpair(propname,logd));
}
}
else
{
std::map<std::string,Kernel::TimeSeriesProperty<std::string>*>::iterator sitr = sMap.find(propname);
if(sitr != sMap.end())
{
Kernel::TimeSeriesProperty<std::string>* prop = sitr->second;
if (prop) prop->addValue(timecolumn,valuecolumn);
}
else
{
logs = new Kernel::TimeSeriesProperty<std::string>(propname);
logs->addValue(timecolumn,valuecolumn);
sMap.insert(spair(propname,logs));
}
}
}
try
{
std::map<std::string,Kernel::TimeSeriesProperty<double>*>::const_iterator itr = dMap.begin();
for(;itr != dMap.end(); ++itr)
{
run.addLogData(itr->second);
}
std::map<std::string,Kernel::TimeSeriesProperty<std::string>*>::const_iterator sitr = sMap.begin();
for(;sitr!=sMap.end();++sitr)
{
run.addLogData(sitr->second);
}
}
catch(std::invalid_argument &e)
{
g_log.warning() << e.what();
}
catch(Exception::ExistsError&e)
{
g_log.warning() << e.what();
}
}
IEventWorkspace_sptr RefReduction::loadData(const std::string dataRun,
const std::string polarization)
{
const std::string instrument = getProperty("Instrument");
// Check whether dataRun refers to an existing workspace
// Create a good name for the raw workspace
std::string ws_name = "__ref_"+dataRun+"-"+polarization+"_raw";
IEventWorkspace_sptr rawWS;
if (AnalysisDataService::Instance().doesExist(dataRun))
{
rawWS = AnalysisDataService::Instance().retrieveWS<EventWorkspace>(dataRun);
g_log.notice() << "Found workspace: " << dataRun << std::endl;
m_output_message += " |Input data run is a workspace: " + dataRun + "\n";
}
else if (AnalysisDataService::Instance().doesExist(ws_name))
{
rawWS = AnalysisDataService::Instance().retrieveWS<EventWorkspace>(ws_name);
g_log.notice() << "Using existing workspace: " << ws_name << std::endl;
m_output_message += " |Found workspace from previous reduction: " + ws_name + "\n";
}
else
{
// If we can't find a workspace, find a file to load
std::string path = FileFinder::Instance().getFullPath(dataRun);
if (path.size()==0 || !Poco::File(path).exists())
{
try
{
std::vector<std::string> paths = FileFinder::Instance().findRuns(instrument+dataRun);
path = paths[0];
}
catch(Exception::NotFoundError&) { /* Pass. We report the missing file later. */ }
}
if (path.size()==0 || !Poco::File(path).exists())
{
try
{
std::vector<std::string> paths = FileFinder::Instance().findRuns(dataRun);
path = paths[0];
}
catch(Exception::NotFoundError&) { /* Pass. We report the missing file later. */ }
}
if (Poco::File(path).exists()) {
g_log.notice() << "Found: " << path << std::endl;
m_output_message += " |Loading from " + path + "\n";
IAlgorithm_sptr loadAlg = createChildAlgorithm("LoadEventNexus", 0, 0.2);
loadAlg->setProperty("Filename", path);
if (polarization.compare(PolStateNone)!=0)
loadAlg->setProperty("NXentryName", polarization);
loadAlg->executeAsChildAlg();
rawWS = loadAlg->getProperty("OutputWorkspace");
if (rawWS->getNumberEvents()==0)
{
g_log.notice() << "No data in " << polarization << std::endl;
m_output_message += " |No data for " + polarization + "\n";
return rawWS;
}
// Move the detector to the right position
if (instrument.compare("REF_M")==0)
{
double det_distance = rawWS->getInstrument()->getDetector(0)->getPos().Z();
Mantid::Kernel::Property* prop = rawWS->run().getProperty("SampleDetDis");
Mantid::Kernel::TimeSeriesProperty<double>* dp = dynamic_cast<Mantid::Kernel::TimeSeriesProperty<double>* >(prop);
double sdd = dp->getStatistics().mean/1000.0;
IAlgorithm_sptr mvAlg = createChildAlgorithm("MoveInstrumentComponent", 0.2, 0.25);
mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", rawWS);
mvAlg->setProperty("ComponentName", "detector1");
mvAlg->setProperty("Z", sdd-det_distance);
mvAlg->setProperty("RelativePosition", true);
mvAlg->executeAsChildAlg();
g_log.notice() << "Ensuring correct Z position: Correction = "
<< Poco::NumberFormatter::format(sdd-det_distance)
<< " m" << std::endl;
}
AnalysisDataService::Instance().addOrReplace(ws_name, rawWS);
} else {
g_log.error() << "Could not find a data file for " << dataRun << std::endl;
throw std::invalid_argument("Could not find a data file for the given input");
}
}
// Crop TOF as needed and set binning
double tofMin = getProperty("TOFMin");
double tofMax = getProperty("TOFMax");
if (isEmpty(tofMin) || isEmpty(tofMax))
{
const MantidVec& x = rawWS->readX(0);
if (isEmpty(tofMin)) tofMin = *std::min_element(x.begin(), x.end());
if (isEmpty(tofMax)) tofMax = *std::max_element(x.begin(), x.end());
}
int nBins = getProperty("NBins");
double tofStep = getProperty("TOFStep");
if (!isEmpty(nBins))
tofStep = (tofMax-tofMin)/nBins;
else
nBins = (int)floor( (tofMax-tofMin)/tofStep );
std::vector<double> params;
params.push_back(tofMin);
params.push_back(tofStep);
params.push_back(tofMax);
IAlgorithm_sptr rebinAlg = createChildAlgorithm("Rebin", 0.25, 0.3);
rebinAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", rawWS);
rebinAlg->setProperty("Params", params);
rebinAlg->setProperty("PreserveEvents", true);
rebinAlg->executeAsChildAlg();
MatrixWorkspace_sptr outputWS = rebinAlg->getProperty("OutputWorkspace");
m_output_message += " |TOF binning: "
+ Poco::NumberFormatter::format(tofMin) + " to "
+ Poco::NumberFormatter::format(tofMax) + " in steps of "
+ Poco::NumberFormatter::format(tofStep) + " microsecs\n";
// Normalise by current
IAlgorithm_sptr normAlg = createChildAlgorithm("NormaliseByCurrent", 0.3, 0.35);
normAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", outputWS);
//normAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
normAlg->executeAsChildAlg();
outputWS = normAlg->getProperty("OutputWorkspace");
// Convert to wavelength
IAlgorithm_sptr convAlg = createChildAlgorithm("ConvertUnits", 0.35, 0.4);
convAlg->setProperty<MatrixWorkspace_sptr>("InputWorkspace", outputWS);
convAlg->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
convAlg->setProperty("Target", "Wavelength");
convAlg->executeAsChildAlg();
// Rebin in wavelength
const MantidVec& x = outputWS->readX(0);
double wlMin = *std::min_element(x.begin(), x.end());
double wlMax = *std::max_element(x.begin(), x.end());
std::vector<double> wl_params;
wl_params.push_back(wlMin);
wl_params.push_back((wlMax-wlMin)/nBins);
wl_params.push_back(wlMax);
IAlgorithm_sptr rebinAlg2 = createChildAlgorithm("Rebin", 0.25, 0.3);
rebinAlg2->setProperty<MatrixWorkspace_sptr>("InputWorkspace", outputWS);
rebinAlg2->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", outputWS);
rebinAlg2->setProperty("Params", wl_params);
rebinAlg2->setProperty("PreserveEvents", true);
rebinAlg2->executeAsChildAlg();
IEventWorkspace_sptr outputEvtWS = boost::dynamic_pointer_cast<IEventWorkspace>(outputWS);
return outputEvtWS;
}
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);
}