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#include "MantidAPI/Algorithm.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidDataHandling/LoadCalFile.h"
#include "MantidDataObjects/GroupingWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/IInstrument.h"
#include "MantidKernel/System.h"
#include <fstream>
#include "MantidDataObjects/SpecialWorkspace2D.h"
using Mantid::Geometry::IInstrument_sptr;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
namespace Mantid
{
namespace DataHandling
{
// Get the logger
Kernel::Logger& LoadCalFile::g_log = Kernel::Logger::get("LoadCalFile");
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(LoadCalFile)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
LoadCalFile::LoadCalFile()
{
}
//----------------------------------------------------------------------------------------------
/** Destructor
*/
LoadCalFile::~LoadCalFile()
{
}
//----------------------------------------------------------------------------------------------
/// Sets documentation strings for this algorithm
void LoadCalFile::initDocs()
{
this->setWikiSummary("TODO: Enter a quick description of your algorithm.");
this->setOptionalMessage("TODO: Enter a quick description of your algorithm.");
}
//----------------------------------------------------------------------------------------------
/** For use by getInstrument3Ways, initializes the properties
* @param alg :: algorithm to which to add the properties.
* */
void LoadCalFile::getInstrument3WaysInit(Algorithm * alg)
{
alg->declareProperty(new WorkspaceProperty<>("InputWorkspace","",Direction::Input, true),
"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.");
}
//----------------------------------------------------------------------------------------------
/** Get a pointer to an instrument in one of 3 ways: InputWorkspace, InstrumentName, InstrumentFilename
* @param alg :: algorithm from which to get the property values.
* */
Mantid::Geometry::IInstrument_sptr LoadCalFile::getInstrument3Ways(Algorithm * alg)
{
MatrixWorkspace_sptr inWS = alg->getProperty("InputWorkspace");
std::string InputWorkspace = alg->getPropertyValue("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 ---------------------------
IInstrument_sptr inst;
if (inWS)
{
inst = inWS->getInstrument();
}
else
{
Algorithm_sptr childAlg = alg->createSubAlgorithm("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->executeAsSubAlg();
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>("MakeMaskingWorkspace",true,Direction::Input),
"Set to true to create a MaskingWorkspace with called WorkspaceName_mask.");
declareProperty(new PropertyWithValue<std::string>("WorkspaceName", "", Direction::Input),
"The base of the output workspace names. Names will have '_group', '_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 MakeMaskingWorkspace = getProperty("MakeMaskingWorkspace");
if (WorkspaceName.empty())
throw std::invalid_argument("Must specify WorkspaceName.");
IInstrument_sptr inst = LoadCalFile::getInstrument3Ways(this);
GroupingWorkspace_sptr groupWS;
OffsetsWorkspace_sptr offsetsWS;
MatrixWorkspace_sptr maskWS;
if (MakeGroupingWorkspace)
{
groupWS = GroupingWorkspace_sptr(new GroupingWorkspace(inst));
AnalysisDataService::Instance().addOrReplace(WorkspaceName + "_group", groupWS);
}
if (MakeOffsetsWorkspace)
{
offsetsWS = OffsetsWorkspace_sptr(new OffsetsWorkspace(inst));
AnalysisDataService::Instance().addOrReplace(WorkspaceName + "_offsets", offsetsWS);
}
if (MakeMaskingWorkspace)
{
maskWS = MatrixWorkspace_sptr(new SpecialWorkspace2D(inst));
AnalysisDataService::Instance().addOrReplace(WorkspaceName + "_mask", maskWS);
}
LoadCalFile::readCalFile(CalFilename, groupWS, offsetsWS, maskWS);
}
//-----------------------------------------------------------------------
/** 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, MatrixWorkspace_sptr maskWS)
{
bool doGroup = false;
if (groupWS) doGroup = true;
bool doOffsets = false;
if (offsetsWS) doOffsets = true;
bool doMask = false;
if (maskWS) doMask = true;
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;
IndexToIndexMap * detID_to_wi;
if (doMask)
{
detID_to_wi = maskWS->getDetectorIDToWorkspaceIndexMap( false );
}
std::string str;
while(getline(grFile,str))
{
if (str.empty() || str[0] == '#') continue;
std::istringstream istr(str);
int n,udet,select,group;
double offset;
istr >> n >> udet >> offset >> select >> group;
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 & e)
{
numErrors++;
}
}
if (doGroup)
{
try
{
groupWS->setValue(udet, double(group) );
}
catch (std::invalid_argument & e)
{
numErrors++;
}
}
if (doMask)
{
try
{
int wi = (*detID_to_wi)[udet];
maskWS->maskWorkspaceIndex(wi, 0.0);
}
catch (std::invalid_argument & e)
{
numErrors++;
}
}
}
// Warn about any errors
if (numErrors > 0)
g_log.warning() << numErrors << " errors (invalid Detector ID's) found when reading .cal file '" << calFileName << "'.\n";
if (doMask)
delete detID_to_wi;
}
} // namespace Mantid
} // namespace DataHandling