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refs #4201 Modifications to unit conversion
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@abuts
abuts committed Dec 7, 2011
1 parent a97dd1e commit 2fe5e4b
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Showing 5 changed files with 74 additions and 36 deletions.
2 changes: 1 addition & 1 deletion Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsCoordTransf.h
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Original file line number Diff line number Diff line change
Expand Up @@ -262,7 +262,7 @@ struct COORD_TRANSFORMER<modQ,Elastic,CONV>
//
CONV_UNITS_FROM.setUpConversion(this->pHost);
// get pointer to the positions of the detectors
pDet = &(ConvertToMDEvents::getPrepDetectors(pHost).det_dir[0]);
pDet = ConvertToMDEvents::getPrepDetectors(pHost).pDetDir();
//
return true;
}
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19 changes: 9 additions & 10 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToMDEventsUnitsConv.h
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Expand Up @@ -98,10 +98,10 @@ struct UNITS_CONVERSION<ConvFromTOF>
throw(std::logic_error(" can not retrieve workspace unit from the units factory"));
}
// get detectors positions and other data needed for units conversion:
const preprocessed_detectors det = ConvertToMDEvents::getPrepDetectors(pHost);
pTwoTheta = &(det.TwoTheta[0]);
pL2 = &(det.L2[0]);
L1 = det.L1;
pTwoTheta = ConvertToMDEvents::getPrepDetectors(pHost).pTwoTheta();
pL2 = ConvertToMDEvents::getPrepDetectors(pHost).pL2();
L1 = ConvertToMDEvents::getPrepDetectors(pHost).L1;

efix = ConvertToMDEvents::getEi(pHost);
emode = ConvertToMDEvents::getEMode(pHost);
};
Expand Down Expand Up @@ -144,17 +144,16 @@ struct UNITS_CONVERSION<ConvByTOF>
}

// get units class, requested by subalgorithm
std::string native_units = ConvertToMDEvents::getNativeUnitsID(pHost);
Kernel::Unit_sptr pWSUnit = Kernel::UnitFactory::Instance().create(native_units);
std::string native_units = ConvertToMDEvents::getNativeUnitsID(pHost);
pWSUnit = Kernel::UnitFactory::Instance().create(native_units);
if(!pWSUnit){
throw(std::logic_error(" can not retrieve target workspace unit from the units factory"));
}

// get detectors positions and other data needed for units conversion:
const preprocessed_detectors det = ConvertToMDEvents::getPrepDetectors(pHost);
pTwoTheta = &(det.TwoTheta[0]);
pL2 = &(det.L2[0]);
L1 = det.L1;
pTwoTheta = ConvertToMDEvents::getPrepDetectors(pHost).pTwoTheta();
pL2 = ConvertToMDEvents::getPrepDetectors(pHost).pL2();
L1 = ConvertToMDEvents::getPrepDetectors(pHost).L1;
// get efix
efix = ConvertToMDEvents::getEi(pHost);
emode = ConvertToMDEvents::getEMode(pHost);
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3 changes: 3 additions & 0 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertToQ3DdE.h
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Expand Up @@ -58,6 +58,9 @@ namespace MDAlgorithms
//
bool is_defined(void)const{return det_dir.size()>0;}
bool is_defined(size_t new_size)const{return det_dir.size()==new_size;}
double * const pL2(){return &L2[0];}
double * const pTwoTheta(){return &TwoTheta[0];}
Kernel::V3D *const pDetDir(){return &det_dir[0];}
};
class DLLExport ConvertToQ3DdE : public API::Algorithm
{
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64 changes: 46 additions & 18 deletions Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDEvents.cpp
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Expand Up @@ -67,10 +67,12 @@ void ConvertToMDEvents::initDocs()
this->setWikiSummary("Create a MDEventWorkspace with selected dimensions, e.g. the reciprocal space of momentums (Qx, Qy, Qz) or momentums modules |Q|, energy transfer dE if availible and any other user specified log values which can be treated as dimensions. If the OutputWorkspace exists, then events are added to it.");
this->setOptionalMessage("Create a MDEventWorkspace with selected dimensions, e.g. the reciprocal space of momentums (Qx, Qy, Qz) or momentums modules |Q|, energy transfer dE if availible and any other user specified log values which can be treated as dimensions. If the OutputWorkspace exists, then events are added to it.");
}
/** Static function to obtain the natural units for input workspace.
/** Helper Static function to obtain the natural units for input workspace.
* Natural units are the units, which subalgorithm is working with without any initial transformation.
*
*@param pHost the pointer to the
*@param pHost the pointer to the algorithm to work with
*
*@returns the name(ID) of the unit, current algorithm expects to work with internaly
*/
std::string
ConvertToMDEvents::getNativeUnitsID(ConvertToMDEvents const *const pHost)
Expand All @@ -81,6 +83,12 @@ ConvertToMDEvents::getNativeUnitsID(ConvertToMDEvents const *const pHost)
}
return pHost->subalgorithm_units;
}
/** Helper Static function to obtain the units set along X-axis of the input workspace.
*
*@param pHost the pointer to the algorithm to work with
*
*@returns the name(ID) of the unit, specified along X-axis of current workspace
*/
Kernel::Unit_sptr
ConvertToMDEvents::getAxisUnits(ConvertToMDEvents const *const pHost){
if(!pHost->inWS2D){
Expand All @@ -94,6 +102,12 @@ ConvertToMDEvents::getAxisUnits(ConvertToMDEvents const *const pHost){
}
return pHost->inWS2D->getAxis(0)->unit();
}
/** Helper Static function to obtain the reference, to the structure with preprocessed detectors
*
*@param pHost the pointer to the algorithm to work with
*
*@returns the reference to the structure. Throws if the structure has not been defined
*/
preprocessed_detectors &
ConvertToMDEvents::getPrepDetectors(ConvertToMDEvents const *const pHost)
{
Expand All @@ -104,6 +118,12 @@ ConvertToMDEvents::getPrepDetectors(ConvertToMDEvents const *const pHost)
}
return ConvertToMDEvents::det_loc;
}
/** Helper Static function to obtain the energy of incident neutrons
*
*@param pHost the pointer to the algorithm to work with
*
*@returns the energy. Throws if the energy property is not defined or can not be retrieved from the workspace
*/
double
ConvertToMDEvents::getEi(ConvertToMDEvents const *const pHost)
{
Expand All @@ -118,7 +138,13 @@ ConvertToMDEvents::getEi(ConvertToMDEvents const *const pHost)
}
return (*pProp);
}

/** Helper Static function to obtain current analysis mode
*
*@param pHost the pointer to the algorithm to work with
*
*@returns the mode 0-elastic, 1--direct, 2 indirect. Throws if the mode is not defined or should not be defined
(NoQ mode -- no analysis expected)
*/
int
ConvertToMDEvents::getEMode(ConvertToMDEvents const *const pHost){
if(pHost->emode<0||pHost->emode>2){
Expand Down Expand Up @@ -172,7 +198,7 @@ ConvertToMDEvents::init()
"You can to trsansfer sourcs workspace dimensions into target worskpace or process mod(Q) (1 dimension) or QxQyQz (3 dimensions) in Q space",Direction::InOut);

/// this variable describes implemented modes for energy transfer analysis
declareProperty("dEAnalysisMode",dE_modes[Elastic],new ListValidator(dE_modes),
declareProperty("dEAnalysisMode",dE_modes[Direct],new ListValidator(dE_modes),
"You can to trsansfer sourcs workspace dimensions into target worskpace or process mod(Q) (1 dimension) or QxQyQz (3 dimensions) in Q space",Direction::InOut);


Expand Down Expand Up @@ -453,9 +479,7 @@ ConvertToMDEvents::parseConvMode(const std::string &Q_MODE_ID,const std::string
throw(std::invalid_argument("ConvertToMDEvents needs to known units conversion"));
}
}else{ // NoQ mode -- no conversion
CONV_MODE_ID =ConvModes[ConvertNo];

this->emode = 4;
CONV_MODE_ID =ConvModes[ConvertNo];
return CONV_MODE_ID;
}
// are the existing units already what is needed, so no conversion?
Expand All @@ -472,6 +496,12 @@ ConvertToMDEvents::parseConvMode(const std::string &Q_MODE_ID,const std::string
CONV_MODE_ID = ConvModes[ConvFromTOF];
}else{ // convert via TOF
CONV_MODE_ID = ConvModes[ConvByTOF];
if(this->emode == 0){
convert_log.error() <<" conversion via TOF is not availible in elastic mode\n";
convert_log.error() <<" can not convert input workspce X-axis units"<<ws_dim_units[0]<<" into"<<getNativeUnitsID(this)
<<" needed by elastic conversion\n";
throw(std::invalid_argument(" wrong X-axis units"));
}
}
}
}
Expand Down Expand Up @@ -646,7 +676,7 @@ ConvertToMDEvents::identifyTheAlg(API::MatrixWorkspace_const_sptr inWS2D,const s
}

// any inelastic mode or unit conversion involing TOF needs Ei to be among the input workspace properties
if((the_algID.find(dE_modes[Direct])!=std::string::npos)||(the_algID.find(dE_modes[Indir])!=std::string::npos)||(the_algID.find("TOD")!=std::string::npos))
if((this->emode == 1)||(this->emode == 2)||(the_algID.find("TOD")!=std::string::npos))
{
if(!inWS2D->run().hasProperty("Ei")){
convert_log.error()<<" Conversion sub-algorithm with ID: "<<the_algID<<" needs input energy to be present among run properties\n";
Expand All @@ -656,6 +686,7 @@ ConvertToMDEvents::identifyTheAlg(API::MatrixWorkspace_const_sptr inWS2D,const s

//TODO: temporary, we will redefine the algorithm ID not to depend on dimension number in a future
the_algID = the_algID+boost::lexical_cast<std::string>(nDims);
this->n_activated_dimensions = nDims;

return the_algID;

Expand Down Expand Up @@ -726,22 +757,19 @@ ConvertToMDEvents::fillAddProperties(std::vector<coord_t> &Coord,size_t nd,size_
{
for(size_t i=n_ws_properties;i<nd;i++){
//HACK: A METHOD, Which converts TSP into value, correspondent to time scale of matrix workspace has to be developed and deployed!
Kernel::Property *pProperty = (inWS2D->run().getProperty(this->targ_dim_names[i-n_ws_properties]));
Kernel::TimeSeriesProperty<double> *run_property = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(pProperty);
if(run_property){
Kernel::Property *pProperty = (inWS2D->run().getProperty(this->targ_dim_names[i]));
Kernel::TimeSeriesProperty<double> *run_property = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(pProperty);
if(run_property){
Coord[i]=run_property->firstValue();
}else{
}else{
// e.g Ei can be a property and dimenson
Kernel::PropertyWithValue<double> *proc_property = dynamic_cast<Kernel::PropertyWithValue<double> *>(pProperty);
if(!proc_property){
convert_log.error()<<" property: "<<this->targ_dim_names[i]<<" is neither a time series (run) property nor a property with double value\n";
throw(std::invalid_argument(" can not interpret property, used as dimension"));
}
Coord[i] = *(proc_property);
}



}
}
}

Expand All @@ -760,7 +788,7 @@ class LOOP_ND{
static inline void EXEC(ConvertToMDEvents *pH){
LOOP_ND< i-1 , Q, MODE,CONV>::EXEC(pH);
std::stringstream num;
num << "ND" << i;
num << i;
std::string Key = pH->Q_modes[Q]+pH->dE_modes[MODE]+pH->ConvModes[CONV]+num.str();
pH->alg_selector.insert(std::pair<std::string,pMethod>(Key,&ConvertToMDEvents::processQND<i,Q,MODE,CONV>));
}
Expand All @@ -771,7 +799,7 @@ class LOOP_ND<2,Q,MODE,CONV>{
static inline void EXEC(ConvertToMDEvents *pH){

std::stringstream num;
num << "ND" << 2;
num << 2;
std::string Key = pH->Q_modes[Q]+pH->dE_modes[MODE]+pH->ConvModes[CONV]+num.str();
#ifdef _DEBUG
std::cout<<" Ending group by instansiating algorithm with ID: "<<Key<<std::endl;
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22 changes: 15 additions & 7 deletions Code/Mantid/Framework/MDAlgorithms/test/ConvertToMDEventsTest.h
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Original file line number Diff line number Diff line change
Expand Up @@ -506,28 +506,36 @@ void testSetUpThrow()
}


void xtestExecModQ()
void testExecModQ()
{


Mantid::API::MatrixWorkspace_sptr ws2D = boost::dynamic_pointer_cast<MatrixWorkspace>(AnalysisDataService::Instance().retrieve("testWSProcessed"));
API::NumericAxis *pAxis = new API::NumericAxis(3);
pAxis->setUnit("dSpacing");

ws2D->replaceAxis(0,pAxis);

pAlg->setPropertyValue("InputWorkspace","testWSProcessed");
pAlg->setPropertyValue("QDimensions","|Q|");
pAlg->setPropertyValue("OtherDimensions","phi,chi");
//TODO: wrong -- q should generate 2 dimensions -- currently 1
TS_ASSERT_THROWS_NOTHING(pAlg->setPropertyValue("dEAnalysisMode", "Elastic"));
//
pAlg->setPropertyValue("MinValues","-10,0,-10");
pAlg->setPropertyValue("MaxValues"," 10,20,40");
pAlg->setRethrows(true);
TS_ASSERT_THROWS(pAlg->execute(),Kernel::Exception::NotImplementedError);
TS_ASSERT_THROWS_NOTHING(pAlg->execute());
AnalysisDataService::Instance().remove("OutputWorkspace");

}
void xtestExecQ3D()
void testExecQ3D()
{
pAlg->setPropertyValue("InputWorkspace","testWSProcessed");
pAlg->setPropertyValue("OtherDimensions","phi,chi");

TS_ASSERT_THROWS_NOTHING(pAlg->setPropertyValue("QDimensions", "QxQyQz"));
pAlg->setPropertyValue("MinValues","-10,-10,-10,0,-10");
pAlg->setPropertyValue("MaxValues"," 10, 10,10,20,40");
TS_ASSERT_THROWS_NOTHING(pAlg->setPropertyValue("dEAnalysisMode", "Direct"));
pAlg->setPropertyValue("MinValues","-10,-10,-10, 0,-10,-10");
pAlg->setPropertyValue("MaxValues"," 10, 10, 10, 20, 40, 20");


pAlg->setRethrows(false);
Expand Down

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