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Campbell, Stuart authoredCampbell, Stuart authored
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LoadCalFile.cpp 13.26 KiB
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidDataHandling/LoadCalFile.h"
#include "MantidDataObjects/GroupingWorkspace.h"
#include "MantidDataObjects/MaskWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidKernel/System.h"
#include <fstream>
#include <Poco/Path.h>
using Mantid::Geometry::Instrument_const_sptr;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
namespace Mantid {
namespace DataHandling {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(LoadCalFile)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
LoadCalFile::LoadCalFile() {}
//----------------------------------------------------------------------------------------------
/** Destructor
*/
LoadCalFile::~LoadCalFile() {}
//----------------------------------------------------------------------------------------------
/** For use by getInstrument3Ways, initializes the properties
* @param alg :: algorithm to which to add the properties.
* */
void LoadCalFile::getInstrument3WaysInit(Algorithm *alg) {
std::string grpName("Specify the Instrument");
alg->declareProperty(
new WorkspaceProperty<>("InputWorkspace", "", Direction::Input,
PropertyMode::Optional),
"Optional: An input workspace with the instrument we want to use.");
alg->declareProperty(new PropertyWithValue<std::string>("InstrumentName", "",
Direction::Input),
"Optional: Name of the instrument to base the "
"GroupingWorkspace on which to base the "
"GroupingWorkspace.");
alg->declareProperty(new FileProperty("InstrumentFilename", "",
FileProperty::OptionalLoad, ".xml"),
"Optional: Path to the instrument definition file on "
"which to base the GroupingWorkspace.");
alg->setPropertyGroup("InputWorkspace", grpName);
alg->setPropertyGroup("InstrumentName", grpName);
alg->setPropertyGroup("InstrumentFilename", grpName);
}
bool LoadCalFile::instrumentIsSpecified(API::Algorithm *alg) {
MatrixWorkspace_sptr inWS = alg->getProperty("InputWorkspace");
if (bool(inWS))
return true;
std::string InstrumentName = alg->getPropertyValue("InstrumentName");
if (!InstrumentName.empty())
return true;
std::string InstrumentFilename = alg->getPropertyValue("InstrumentFilename");
if (!InstrumentFilename.empty())
return true;
return false;
}
//----------------------------------------------------------------------------------------------
/** Get a pointer to an instrument in one of 3 ways: InputWorkspace,
* InstrumentName, InstrumentFilename
* @param alg :: algorithm from which to get the property values.
* */
Geometry::Instrument_const_sptr
LoadCalFile::getInstrument3Ways(Algorithm *alg) {
MatrixWorkspace_sptr inWS = alg->getProperty("InputWorkspace");
std::string InstrumentName = alg->getPropertyValue("InstrumentName");
std::string InstrumentFilename = alg->getPropertyValue("InstrumentFilename");
// Some validation
int numParams = 0;
if (inWS)
numParams++;
if (!InstrumentName.empty())
numParams++;
if (!InstrumentFilename.empty())
numParams++;
if (numParams > 1)
throw std::invalid_argument("You must specify exactly ONE way to get an "
"instrument (workspace, instrument name, or "
"IDF file). You specified more than one.");
if (numParams == 0)
throw std::invalid_argument("You must specify exactly ONE way to get an "
"instrument (workspace, instrument name, or "
"IDF file). You specified none.");
// ---------- Get the instrument one of 3 ways ---------------------------
Instrument_const_sptr inst;
if (inWS) {
inst = inWS->getInstrument();
} else {
Algorithm_sptr childAlg =
alg->createChildAlgorithm("LoadInstrument", 0.0, 0.2);
MatrixWorkspace_sptr tempWS(new Workspace2D());
childAlg->setProperty<MatrixWorkspace_sptr>("Workspace", tempWS);
childAlg->setPropertyValue("Filename", InstrumentFilename);
childAlg->setPropertyValue("InstrumentName", InstrumentName);
childAlg->setProperty("RewriteSpectraMap", false);
childAlg->executeAsChildAlg();
inst = tempWS->getInstrument();
}
return inst;
}
//----------------------------------------------------------------------------------------------
/** Initialize the algorithm's properties.
*/
void LoadCalFile::init() {
LoadCalFile::getInstrument3WaysInit(this);
declareProperty(
new FileProperty("CalFilename", "", FileProperty::Load, ".cal"),
"Path to the old-style .cal grouping/calibration file (multi-column "
"ASCII). You must also specify the instrument.");
declareProperty(new PropertyWithValue<bool>("MakeGroupingWorkspace", true,
Direction::Input),
"Set to true to create a GroupingWorkspace with called "
"WorkspaceName_group.");
declareProperty(new PropertyWithValue<bool>("MakeOffsetsWorkspace", true,
Direction::Input),
"Set to true to create a OffsetsWorkspace with called "
"WorkspaceName_offsets.");
declareProperty(
new PropertyWithValue<bool>("MakeMaskWorkspace", true, Direction::Input),
"Set to true to create a MaskWorkspace with called WorkspaceName_mask.");
declareProperty(
new PropertyWithValue<std::string>("WorkspaceName", "", Direction::Input),
"The base of the output workspace names. Names will have '_group', "
"'_cal', '_offsets', '_mask' appended to them.");
}
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
void LoadCalFile::exec() {
std::string CalFilename = getPropertyValue("CalFilename");
std::string WorkspaceName = getPropertyValue("WorkspaceName");
bool MakeGroupingWorkspace = getProperty("MakeGroupingWorkspace");
bool MakeOffsetsWorkspace = getProperty("MakeOffsetsWorkspace");
bool MakeMaskWorkspace = getProperty("MakeMaskWorkspace");
if (WorkspaceName.empty())
throw std::invalid_argument("Must specify WorkspaceName.");
Instrument_const_sptr inst = LoadCalFile::getInstrument3Ways(this);
GroupingWorkspace_sptr groupWS;
OffsetsWorkspace_sptr offsetsWS;
MaskWorkspace_sptr maskWS;
// Title of all workspaces = the file without path
std::string title = Poco::Path(CalFilename).getFileName();
// Initialize all required workspaces.
if (MakeGroupingWorkspace) {
groupWS = GroupingWorkspace_sptr(new GroupingWorkspace(inst));
groupWS->setTitle(title);
declareProperty(new WorkspaceProperty<GroupingWorkspace>(
"OutputGroupingWorkspace", WorkspaceName + "_group",
Direction::Output),
"Set the the output GroupingWorkspace, if any.");
groupWS->mutableRun().addProperty("Filename", CalFilename);
setProperty("OutputGroupingWorkspace", groupWS);
}
if (MakeOffsetsWorkspace) {
offsetsWS = OffsetsWorkspace_sptr(new OffsetsWorkspace(inst));
offsetsWS->setTitle(title);
declareProperty(new WorkspaceProperty<OffsetsWorkspace>(
"OutputOffsetsWorkspace", WorkspaceName + "_offsets",
Direction::Output),
"Set the the output OffsetsWorkspace, if any.");
offsetsWS->mutableRun().addProperty("Filename", CalFilename);
setProperty("OutputOffsetsWorkspace", offsetsWS);
}
if (MakeMaskWorkspace) {
maskWS = MaskWorkspace_sptr(new MaskWorkspace(inst));
maskWS->setTitle(title);
declareProperty(
new WorkspaceProperty<MatrixWorkspace>(
"OutputMaskWorkspace", WorkspaceName + "_mask", Direction::Output),
"Set the the output MaskWorkspace, if any.");
maskWS->mutableRun().addProperty("Filename", CalFilename);
setProperty("OutputMaskWorkspace", maskWS); }
LoadCalFile::readCalFile(CalFilename, groupWS, offsetsWS, maskWS);
if (MakeOffsetsWorkspace) {
auto alg = createChildAlgorithm("ConvertDiffCal");
alg->setProperty("OffsetsWorkspace", offsetsWS);
alg->executeAsChildAlg();
ITableWorkspace_sptr calWS = alg->getProperty("OutputWorkspace");
calWS->setTitle(title);
declareProperty(
new WorkspaceProperty<ITableWorkspace>(
"OutputCalWorkspace", WorkspaceName + "_cal", Direction::Output),
"Set the output Diffraction Calibration workspace, if any.");
setProperty("OutputCalWorkspace", calWS);
}
}
//-----------------------------------------------------------------------
/** Reads the calibration file.
*
* @param calFileName :: path to the old .cal file
* @param groupWS :: optional, GroupingWorkspace to fill. Must be initialized to
*the right instrument.
* @param offsetsWS :: optional, OffsetsWorkspace to fill. Must be initialized
*to the right instrument.
* @param maskWS :: optional, masking-type workspace to fill. Must be
*initialized to the right instrument.
*/
void LoadCalFile::readCalFile(const std::string &calFileName,
GroupingWorkspace_sptr groupWS,
OffsetsWorkspace_sptr offsetsWS,
MaskWorkspace_sptr maskWS) {
bool doGroup = bool(groupWS);
bool doOffsets = bool(offsetsWS);
bool doMask = bool(maskWS);
bool hasUnmasked(false);
bool hasGrouped(false);
if (!doOffsets && !doGroup && !doMask)
throw std::invalid_argument("You must give at least one of the grouping, "
"offsets or masking workspaces.");
std::ifstream grFile(calFileName.c_str());
if (!grFile) {
throw std::runtime_error("Unable to open calibration file " + calFileName);
}
size_t numErrors = 0;
detid2index_map detID_to_wi;
if (doMask) {
detID_to_wi = maskWS->getDetectorIDToWorkspaceIndexMap();
}
// not all of these should be doubles, but to make reading work read as double
// then recast to int
int n, udet, select, group;
double n_d, udet_d, offset, select_d, group_d;
std::string str;
while (getline(grFile, str)) {
if (str.empty() || str[0] == '#')
continue;
std::istringstream istr(str);
// read in everything as double then cast as appropriate
istr >> n_d >> udet_d >> offset >> select_d >> group_d;
n = static_cast<int>(n_d); udet = static_cast<int>(udet_d);
select = static_cast<int>(select_d);
group = static_cast<int>(group_d);
if (doOffsets) {
if (offset <= -1.) // should never happen
{
std::stringstream msg;
msg << "Encountered offset = " << offset << " at index " << n
<< " for udet = " << udet << ". Offsets must be greater than -1.";
throw std::runtime_error(msg.str());
}
try {
offsetsWS->setValue(udet, offset);
} catch (std::invalid_argument &) {
// Ignore the error if the IS is actually for a monitor
if (!idIsMonitor(offsetsWS->getInstrument(), udet))
numErrors++;
}
}
if (doGroup) {
try {
groupWS->setValue(udet, double(group));
if ((!hasGrouped) && (group > 0))
hasGrouped = true;
} catch (std::invalid_argument &) {
// Ignore the error if the IS is actually for a monitor
if (!idIsMonitor(groupWS->getInstrument(), udet))
numErrors++;
}
}
if (doMask) {
detid2index_map::const_iterator it = detID_to_wi.find(udet);
if (it != detID_to_wi.end()) {
size_t wi = it->second;
if (select <= 0) {
// Not selected, then mask this detector
maskWS->maskWorkspaceIndex(wi);
maskWS->dataY(wi)[0] = 1.0;
} else {
// Selected, set the value to be 0
maskWS->dataY(wi)[0] = 0.0;
if (!hasUnmasked)
hasUnmasked = true;
}
} else {
// Ignore the error if the IS is actually for a monitor
if (!idIsMonitor(maskWS->getInstrument(), udet))
numErrors++;
}
}
}
// Warn about any errors
if (numErrors > 0)
Logger("LoadCalFile").warning()
<< numErrors
<< " errors (invalid Detector ID's) found when reading .cal file '"
<< calFileName << "'.\n";
if (doGroup && (!hasGrouped))
Logger("LoadCalFile").warning() << "'" << calFileName
<< "' has no spectra grouped\n";
if (doMask && (!hasUnmasked))
Logger("LoadCalFile").warning() << "'" << calFileName
<< "' masks all spectra\n";}
/**
* Used to determine if a given detector ID is for a monitor.
*
* @param inst Pointer to the instrument
* @param detID Detector ID to check
* @return True if a monitor, false otherwise
*/
bool LoadCalFile::idIsMonitor(Instrument_const_sptr inst, int detID) {
auto monitorList = inst->getMonitors();
auto it = std::find(monitorList.begin(), monitorList.end(), detID);
return (it != monitorList.end());
}
} // namespace Mantid
} // namespace DataHandling