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refs #4201 More unit tests and some bug fixing
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Native Conversion for MD event workspaces, which do not involve dynamic rebinning enabled
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@abuts
abuts committed Jan 9, 2012
1 parent 38ec346 commit a0c1397
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Showing 12 changed files with 179 additions and 87 deletions.
1 change: 1 addition & 0 deletions Code/Mantid/Framework/MDAlgorithms/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -96,6 +96,7 @@ set ( TEST_FILES
test/BooleanBinaryOperationMDTest.h
test/ConvertToQ3DdETest.h
test/ConvertToMDEventsTest.h
test/ConvertToMDEventsUnitsConvTest.h
test/ConvertEventsToMDEventsTest.h
test/DivideMDTest.h
test/EqualToMDTest.h
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10 changes: 5 additions & 5 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsCoordTransf.h
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Original file line number Diff line number Diff line change
Expand Up @@ -169,7 +169,7 @@ struct COORD_TRANSFORMER<NoQ,MODE,CONV,Type>: public ICOORD_TRANSFORMER<NoQ,MODE
inline bool ConvertAndCalcMatrixCoord(const double & X,std::vector<coord_t> &Coord)const
{
double X_ev = CONV_UNITS_FROM.getXConverted(X);
return calcMatrixCoord(X_ev,Coord);
return calc1MatrixCoord(X_ev,Coord);
}

// constructor;
Expand Down Expand Up @@ -275,7 +275,7 @@ struct COORD_TRANSFORMER<modQ,MODE,CONV,Type>: public ICOORD_TRANSFORMER<modQ,MO
inline bool ConvertAndCalcMatrixCoord(const double & X,std::vector<coord_t> &Coord)const
{
double X_ev = CONV_UNITS_FROM.getXConverted(X);
return calcMatrixCoord(X_ev,Coord);
return calc1MatrixCoord(X_ev,Coord);
}
// constructor;
COORD_TRANSFORMER(){}
Expand Down Expand Up @@ -356,7 +356,7 @@ struct COORD_TRANSFORMER<modQ,Elastic,CONV,Type>: public ICOORD_TRANSFORMER<modQ
inline bool ConvertAndCalcMatrixCoord(const double & X,std::vector<coord_t> &Coord)const
{
double X_ev = CONV_UNITS_FROM.getXConverted(X);
return calcMatrixCoord(X_ev,Coord);
return calc1MatrixCoord(X_ev,Coord);
}

// constructor;
Expand Down Expand Up @@ -441,7 +441,7 @@ struct COORD_TRANSFORMER<Q3D,MODE,CONV,Type>: public ICOORD_TRANSFORMER<Q3D,MODE
inline bool ConvertAndCalcMatrixCoord(const double & X,std::vector<coord_t> &Coord)const
{
double X_ev = CONV_UNITS_FROM.getXConverted(X);
return calcMatrixCoord(X_ev,Coord);
return calc1MatrixCoord(X_ev,Coord);
}

COORD_TRANSFORMER(){}
Expand Down Expand Up @@ -516,7 +516,7 @@ struct COORD_TRANSFORMER<Q3D,Elastic,CONV,Type>: public ICOORD_TRANSFORMER<Q3D,E
inline bool ConvertAndCalcMatrixCoord(const double & X,std::vector<coord_t> &Coord)const
{
double X_ev = CONV_UNITS_FROM.getXConverted(X);
return calcMatrixCoord(X_ev,Coord);
return calc1MatrixCoord(X_ev,Coord);
}

COORD_TRANSFORMER(){}
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4 changes: 3 additions & 1 deletion Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsDetInfo.h
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Original file line number Diff line number Diff line change
Expand Up @@ -47,13 +47,15 @@ struct PreprocessedDetectors{
std::vector<double> L2;
std::vector<double> TwoTheta;
std::vector<int32_t> det_id; // the detector ID;
std::vector<size_t> detIDMap;
std::vector<size_t> detIDMap; // stores spectra index which corresponds to a valid detector index;
std::vector<size_t> spec2detMap; //stores detector index which corresponds to the workspace index;
//
bool is_defined(void)const{return det_dir.size()>0;}
bool is_defined(size_t new_size)const{return det_dir.size()==new_size;}
std::vector<double>const & getL2()const{return L2;}
std::vector<double>const & getTwoTheta()const{return TwoTheta;}
std::vector<size_t>const & getDetIDMap()const{return detIDMap;}
std::vector<size_t>const & getSpec2DetMap()const{return spec2detMap;}
std::vector<Kernel::V3D>const & getDetDir()const{return det_dir;}
};

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121 changes: 75 additions & 46 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsEventWS.h
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Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,7 @@
#include "MantidMDAlgorithms/IConvertToMDEventsMethods.h"
#include "MantidMDAlgorithms/ConvertToMDEventsDetInfo.h"
#include "MantidMDAlgorithms/ConvertToMDEventsCoordTransf.h"
#include <vector>

namespace Mantid
{
Expand Down Expand Up @@ -63,8 +64,10 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
friend struct COORD_TRANSFORMER;
// the instanciation of the class which does the transformation itself
COORD_TRANSFORMER<Q,MODE,ConvFromTOF,Histohram> trn;
// the pointer to underlying event workspace
DataObjects::EventWorkspace_const_sptr pEventWS;
//
virtual size_t conversionChunk(size_t){};
virtual size_t conversionChunk(size_t){return 0;}
public:
size_t setUPConversion(Mantid::API::MatrixWorkspace_sptr pWS2D, const PreprocessedDetectors &detLoc,
const MDEvents::MDWSDescription &WSD, boost::shared_ptr<MDEvents::MDEventWSWrapper> inWSWrapper)
Expand All @@ -74,13 +77,21 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
// initiate the templated class which does the conversion of workspace data into MD WS coordinates;
trn.setUP(this);

pEventWS = boost::static_pointer_cast<const DataObjects::EventWorkspace>(inWS2D);
if(!pEventWS.get()){
throw(std::logic_error(" ConvertToMDEvensEventWSAutoRebin should work with defined event workspace"));
}

return numSpec;
}

void runConversion(API::Progress *pProg)
{
DataObjects::EventWorkspace_const_sptr pEventWS = boost::static_pointer_cast<const DataObjects::EventWorkspace>(inWS2D);


// get box controller which will deal with box splitting
Mantid::API::BoxController_sptr bc = pWSWrapper->pWorkspace()->getBoxController();
size_t lastNumBoxes = bc->getTotalNumMDBoxes();

// counder for the number of events
size_t n_added_events(0);

Expand Down Expand Up @@ -109,7 +120,7 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
for (size_t wi=0; wi < nValidSpectra; wi++)
{
size_t iSpec = pDetLoc->detIDMap[wi];
int32_t det_id = pDetLoc->det_id[wi];
int32_t det_id = pDetLoc->det_id[wi];

const DataObjects::EventList & el = pEventWS->getEventList(iSpec);
//size_t numEvents = el.getNumberEvents();
Expand All @@ -118,7 +129,9 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
const MantidVec& X = el.dataX();
const MantidVec& Signal = el.dataY();
const MantidVec& Error = el.dataE();
if(!trn.calcYDepCoordinates(Coord,ic))continue; // skip y outsize of the range;

// calculate the coordinatew which depend on detector position only
if(!trn.calcYDepCoordinates(Coord,wi))continue; // skip y outsize of the range;

//=> START INTERNAL LOOP OVER THE "TIME"
for (size_t j = 0; j < Signal.size(); ++j)
Expand All @@ -127,7 +140,7 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
if(Signal[j]<FLT_EPSILON)continue;


if(!trn.calcMatrixCoord(X,iSpec,j,Coord))continue; // skip ND outside the range
if(!trn.calcMatrixCoord(X,i,j,Coord))continue; // skip ND outside the range
// ADD RESULTING EVENTS TO THE WORKSPACE
float ErrSq = float(Error[j]*Error[j]);

Expand All @@ -141,6 +154,7 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods
n_added_events++;
if(n_added_events>=buf_size){
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);
pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);

n_added_events=0;
pProg->report(wi);
Expand All @@ -151,12 +165,13 @@ class ConvertToMDEvensEventWSAutoRebin: public IConvertToMDEventsMethods

if(n_added_events>0){
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);
pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);

n_added_events=0;
}

pWSWrapper->pWorkspace()->refreshCache();
pWSWrapper->pWorkspace()->getBox()->refreshCentroid(NULL);
pWSWrapper->refreshCentroid();
pProg->report();
}

Expand All @@ -173,7 +188,9 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
friend struct COORD_TRANSFORMER;
// the instanciation of the class which does the transformation itself
COORD_TRANSFORMER<Q,MODE,ConvFromTOF,Axis> trn;
// vector to keep generic part of event workspaces
// the pointer to underlying event workspace
DataObjects::EventWorkspace_sptr pEventWS;
// vector to keep generic part of event coordinates
std::vector<coord_t> Coord;
// index of current run(workspace) for MD WS combining
uint16_t runIndex;
Expand All @@ -188,16 +205,23 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
// allocate space for single MDEvent coordinates with common coordinates which would propagate everywhere
Coord.resize(this->n_dims);

pEventWS = boost::dynamic_pointer_cast<DataObjects::EventWorkspace>(inWS2D);
if(!pEventWS.get()){
throw(std::logic_error(" ConvertToMDEvensEventWS should work with defined event workspace"));
}

return numSpec;
}

void runConversion(API::Progress *pProg)
{
// amount of work
const size_t numSpec = inWS2D->getNumberHistograms();
// Get the box controller
Mantid::API::BoxController_sptr bc = pWSWrapper->pWorkspace()->getBoxController();
size_t lastNumBoxes = bc->getTotalNumMDBoxes();


const size_t specSize = this->inWS2D->blocksize();

size_t nValidSpectra = this->pDetLoc->det_id.size();
// copy experiment info into target workspace
API::ExperimentInfo_sptr ExperimentInfo(inWS2D->cloneExperimentInfo());
Expand All @@ -208,12 +232,11 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
// if any property dimension is outside of the data range requested, the job is done;
if(!trn.calcGenericVariables(Coord,this->n_dims))return;

size_t lastNumBoxes = this->pWSWrapper->getBoxController()->getTotalNumMDBoxes();

size_t eventsAdded = 0;
for (size_t wi=0; wi < inWS2D->getNumberHistograms(); wi++)
for (size_t wi=0; wi <nValidSpectra; wi++)
{
size_t iSpec = this->pDetLoc->detIDMap[wi];
int32_t det_id = this->pDetLoc->det_id[wi];

eventsAdded += this->conversionChunk(iSpec);
// Give this task to the scheduler
Expand All @@ -226,7 +249,7 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
// tp.joinAll();
// Now do all the splitting tasks
//ws->splitAllIfNeeded(ts);
ws->splitAllIfNeeded(NULL);
pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);
//if (ts->size() > 0) tp.joinAll();

// Count the new # of boxes.
Expand All @@ -241,16 +264,14 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);
// Recount totals at the end.
pWSWrapper->pWorkspace()->refreshCache();
pWSWrapper->pWorkspace()->getBox()->refreshCentroid(NULL);
pWSWrapper->refreshCentroid();
}
private:
//
virtual size_t conversionChunk(size_t workspaceIndex)
{

Events::EventList & el = this->inWS2D->getEventList(workspaceIndex);
{

switch (el.getEventType())
switch (this->pEventWS->getEventList(workspaceIndex).getEventType())
{
case TOF:
return this->convertEventList<TofEvent>(workspaceIndex);
Expand All @@ -262,24 +283,32 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
throw std::runtime_error("EventList had an unexpected data type!");
}
};
// internal function to convert event list:

template <class T>
size_t convertEventList(size_t workspaceIndex)
{
std::vector<coord_t> locCoord(this->Coord);
if(!trn.calcYDepCoordinates(locCoord,workspaceIndex))return; // s

EventList & el = this->inWS2D->getEventList(workspaceIndex);
size_t numEvents = el.getNumberEvents();
uint16_t runIndexLoc = this->runIndex;

// allocate temporary buffer for MD Events data
std::vector<coord_t> allCoord(0); // MD events coordinates buffer
allCoord.reserve(this->n_dims*numEvents);

std::vector<float> sig_err.reserve(2*numEvents); // array for signal and error.
std::vector<uint16_t> run_index.reserve(numEvents); // Buffer run index for each event
std::vector<uint32_t> det_ids.reserve(numEvents); // Buffer of det Id-s for each event
// std::vector<coord_t> locCoord(this->Coord);
// if(!trn.calcYDepCoordinates(locCoord,workspaceIndex))return; // s
//
EventList & el = this->pEventWS->getEventList(workspaceIndex);
size_t numEvents = el.getNumberEvents();
size_t detNum = this->pDetLoc->spec2detMap[workspaceIndex];
uint32_t detID = this->pDetLoc->det_id[detNum];
uint16_t runIndexLoc = this->runIndex;

std::vector<coord_t>locCoord(this->Coord);
// set up unit conversion and calculate up all coordinates, which depend on spectra index only
if(!trn.calcYDepCoordinates(locCoord,detNum))return 0; // skip if any y outsize of the range of interest;
//
// // allocate temporary buffers for MD Events data
// // MD events coordinates buffer
std::vector<coord_t> allCoord;
std::vector<float> sig_err; // array for signal and error.
std::vector<uint16_t> run_index; // Buffer run index for each event
std::vector<uint32_t> det_ids; // Buffer of det Id-s for each event

allCoord.reserve(this->n_dims*numEvents); sig_err.reserve(2*numEvents);
run_index.reserve(numEvents); det_ids.reserve(numEvents);

// This little dance makes the getting vector of events more general (since you can't overload by return type).
typename std::vector<T> * events_ptr;
Expand All @@ -293,14 +322,14 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
for (; it != it_end; it++)
{
double tof=it->tof();
if(!trn.calc1MatrixCoord(tof,locCoord))continue; // skip ND outside the range
if(!trn.ConvertAndCalcMatrixCoord(tof,locCoord))continue; // skip ND outside the range

sig_err.push_back(float(it->weight());
sig_err.push_back(float(it->errorSquared());
run_index.push_back(runIndexLoc);
det_ids.push_back(det_id);
allCoord.insert(allCoord.end(),locCoord.begin(),locCoord.end());
}
sig_err.push_back(float(it->weight()));
sig_err.push_back(float(it->errorSquared()));
run_index.push_back(runIndexLoc);
det_ids.push_back(detID);
allCoord.insert(allCoord.end(),locCoord.begin(),locCoord.end());
}

// // Clear out the EventList to save memory
// if (ClearInputWorkspace)
Expand All @@ -313,12 +342,12 @@ class ConvertToMDEvensEventWS: public IConvertToMDEventsMethods
// MemoryManager::Instance().releaseFreeMemoryIfAccumulated(memoryCleared, (size_t)2e8);
// }
//
// // Add them to the MDEW
size_t n_added_events = run_index.size();
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);
// Add them to the MDEW
size_t n_added_events = run_index.size();
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);

return n_added_events;
}
return n_added_events;
}

};

Expand Down
21 changes: 11 additions & 10 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsHistoWS.h
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Original file line number Diff line number Diff line change
Expand Up @@ -64,7 +64,7 @@ class ConvertToMDEvensHistoWS: public IConvertToMDEventsMethods
// the instanciation of the class which does the transformation itself
COORD_TRANSFORMER<Q,MODE,CONV,Histohram> trn;
// not yet parallel
virtual void conversionChunk(size_t job_ID){}
virtual size_t conversionChunk(size_t job_ID){return 0;}
public:
size_t setUPConversion(Mantid::API::MatrixWorkspace_sptr pWS2D, const PreprocessedDetectors &detLoc,
const MDEvents::MDWSDescription &WSD, boost::shared_ptr<MDEvents::MDEventWSWrapper> inWSWrapper)
Expand Down Expand Up @@ -115,16 +115,16 @@ class ConvertToMDEvensHistoWS: public IConvertToMDEventsMethods
const MantidVec& Signal = inWS2D->readY(iSpctr);
const MantidVec& Error = inWS2D->readE(iSpctr);


if(!trn.calcYDepCoordinates(Coord,ic))continue; // skip y outsize of the range;
// calculate the coordinates which depend on detector posision
if(!trn.calcYDepCoordinates(Coord,i))continue; // skip y outsize of the range;

//=> START INTERNAL LOOP OVER THE "TIME"
for (size_t j = 0; j < specSize; ++j)
{
// drop emtpy events
if(Signal[j]<FLT_EPSILON)continue;

if(!trn.calcMatrixCoord(X,iSpec,j,Coord))continue; // skip ND outside the range
if(!trn.calcMatrixCoord(X,i,j,Coord))continue; // skip ND outside the range
// ADD RESULTING EVENTS TO THE WORKSPACE
float ErrSq = float(Error[j]*Error[j]);

Expand All @@ -137,10 +137,11 @@ class ConvertToMDEvensHistoWS: public IConvertToMDEventsMethods

n_added_events++;
if(n_added_events>=buf_size){
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);

n_added_events=0;
pProg->report(i);
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);
pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);

n_added_events=0;
pProg->report(i);
}

} // end spectra loop
Expand All @@ -149,12 +150,12 @@ class ConvertToMDEvensHistoWS: public IConvertToMDEventsMethods

if(n_added_events>0){
pWSWrapper->addMDData(sig_err,run_index,det_ids,allCoord,n_added_events);

pWSWrapper->pWorkspace()->splitAllIfNeeded(NULL);
n_added_events=0;
}

pWSWrapper->pWorkspace()->refreshCache();
pWSWrapper->pWorkspace()->getBox()->refreshCentroid(NULL);
pWSWrapper->refreshCentroid();
pProg->report();
}
};
Expand Down

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