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Commit 0225af11 authored by WHITFIELDRE email's avatar WHITFIELDRE email
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Merge pull request #13126 from mantidproject/13087_ModeratorTzero_Extend 

13087 moderator tzero extend
parents a9c09da4 7397640b
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Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/ModeratorTzero.h
+ 9
− 9
View file @ 0225af11
......@@ -104,15 +104,15 @@ private:
/// Execution code for histogram workspace
void exec();
/// Execution code for event workspace
void execEvent();
/// Calculate distance from source to sample or monitor
double CalculateL1(Mantid::API::MatrixWorkspace_sptr inputWS, size_t i);
/// Calculate time from sample to detector
double CalculateT2(Mantid::API::MatrixWorkspace_sptr inputWS, size_t i);
/// Calculate emission time from the moderator for a given detector (L1, t2)
/// and TOF
double CalculateT0(const double &tof, const double &L1, const double &t2,
double &E1, mu::Parser &parser);
void execEvent(const std::string &emode);
/// Calculate emission time from the moderator for a given
/// detector (L1, t2) and TOF when Emode==Inelastic
double CalculateT0indirect(const double &tof, const double &L1,
const double &t2, double &E1, mu::Parser &parser);
/// Calculate emission time from the moderator for a given
/// detector (L1, t2) and TOF when Emode==Elastic
double CalculateT0elastic(const double &tof, const double &L12,
double &E1, mu::Parser &parser);
const double m_convfactor;
/// Maximum number of iterations when calculating the emission time from the
/// moderator
......
Code/Mantid/Framework/Algorithms/src/ModeratorTzero.cpp
+ 367
− 177
View file @ 0225af11
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Code/Mantid/Framework/Algorithms/test/ModeratorTzeroTest.h
+ 156
− 39
View file @ 0225af11
......@@ -37,92 +37,197 @@ void TestInit()
TS_ASSERT( alg.isInitialized() );
}
void TestExecThrowsDeltaEmode()
void TestExecHistogramIndirect()
{
MatrixWorkspace_sptr testWS = CreateHistogramWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
const bool add_Efixed=true;
const bool add_t0_formula=true;
AddToIndirectInstrument(testWS, add_t0_formula, add_Efixed);
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setRethrows(true); // necessary, otherwise the algorithm will catch all exceptions and not return them
TS_ASSERT_THROWS(alg.execute(), Exception::InstrumentDefinitionError);
alg.setProperty("EMode", "Indirect");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs[3][11]={
{-0.218694, 1599.78, 3199.78, 4799.78, 6399.78, 7999.78, 9550.71, 11150.2, 12750.1, 14350, 15950},
{-34.9412, 1550.24, 3150.06, 4750.03, 6350.01, 7950.01, 9550.01, 11150, 12750, 14350, 15950},
{-9.67714, 1550.63, 3150.16, 4750.07, 6350.04, 7950.03, 9550.02, 11150, 12750, 14350, 15950}
};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
MantidVec xarray=testWS->dataX(ihist);
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs[ihist][ibin/jump],xarray[ibin],0.1);
}
}
AnalysisDataService::Instance().remove("testWS");
}
void TestExecThrowsNoFormula()
void TestExecHistogramElastic()
{
MatrixWorkspace_sptr testWS = CreateHistogramWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
const bool add_deltaE_mode=true;
AddToInstrument(testWS,add_deltaE_mode);
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),
"t0_formula","101.9*incidentEnergy^(-0.41)*exp(-incidentEnergy/282.0)");
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setRethrows(true); // necessary, otherwise the algorithm will catch all exceptions and not return them
TS_ASSERT_THROWS(alg.execute(), Exception::InstrumentDefinitionError);
alg.setProperty("EMode", "Elastic");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs[3][11]={
{0.0, 1599.94, 3196.91, 4791.92, 6387.25, 7983.04, 9579.19, 11175.6, 12772.2, 14368.9, 15965.7},
{0.0, 1595.57, 3184.9, 4776.23, 6368.59, 7961.54, 9554.85, 11148.4, 12742.2, 14336.2, 15930.3},
{0.0, 1599.32, 3193.02, 4786.52, 6380.87, 7975.78, 9571.06, 11166.6, 12762.3, 14358.2, 15954.1}
};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
MantidVec xarray=testWS->dataX(ihist);
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs[ihist][ibin/jump],xarray[ibin],0.1);
}
}
AnalysisDataService::Instance().remove("testWS");
}
/*
* First spectrum is a detector. Remaining two spectra are monitors
*/
void TestExecHistogram()
void TestExecHistogramDirect()
{
MatrixWorkspace_sptr testWS = CreateHistogramWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
const bool add_deltaE_mode=true;
const bool add_t0_formula=true;
AddToInstrument(testWS, add_deltaE_mode, add_t0_formula);
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),
"t0_formula","101.9*incidentEnergy^(-0.41)*exp(-incidentEnergy/282.0)");
testWS->mutableRun().addProperty("Ei", 100.0, "meV", true);
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setProperty("EMode", "Direct");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs[3][11]={
{-0.218694, 1599.78, 3199.78, 4799.78, 6399.78, 7999.78, 9550.71, 11150.2, 12750.1, 14350, 15950},
{-34.9412, 1550.24, 3150.06, 4750.03, 6350.01, 7950.01, 9550.01, 11150, 12750, 14350, 15950},
{-9.67714, 1550.63, 3150.16, 4750.07, 6350.04, 7950.03, 9550.02, 11150, 12750, 14350, 15950}
{-10.8185,1589.18,3189.18,4789.18,6389.18,7989.18,9589.18,11189.2,12789.2,14389.2,15989.2},
{-10.8185,1589.18,3189.18,4789.18,6389.18,7989.18,9589.18,11189.2,12789.2,14389.2,15989.2},
{-10.8185,1589.18,3189.18,4789.18,6389.18,7989.18,9589.18,11189.2,12789.2,14389.2,15989.2}
};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
MantidVec xarray=testWS->dataX(ihist);
for(size_t ibin=0; ibin < xarray.size(); ibin+=400)
TS_ASSERT_DELTA(tofs[ihist][ibin/400],xarray[ibin],0.1);
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs[ihist][ibin/jump],xarray[ibin],0.1);
}
}
AnalysisDataService::Instance().remove("testWS");
}
void TestExecEvents()
void TestExecEventsIndirect()
{
EventWorkspace_sptr testWS=CreateEventWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
const bool add_deltaE_mode=true;
const bool add_Efixed=true;
const bool add_t0_formula=true;
MatrixWorkspace_sptr mtestWS=boost::dynamic_pointer_cast<MatrixWorkspace>(testWS);
AddToInstrument(mtestWS, add_deltaE_mode, add_t0_formula);
AddToIndirectInstrument(mtestWS, add_t0_formula, add_Efixed);
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setProperty("EMode", "Indirect");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs_a[11]={-37.5547, 1562.45, 3162.45, 4762.45, 6362.45, 7962.45, 9550.18, 11150, 12750, 14350, 15950};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
EventList &evlist=testWS->getEventList(ihist);
MantidVec tofs_b=evlist.getTofs();
MantidVec xarray=evlist.readX();
for(size_t ibin=0; ibin < xarray.size(); ibin+=400)
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs_a[ibin/400],xarray[ibin],0.1);
TS_ASSERT_DELTA(tofs_a[ibin/400],tofs_b[ibin],0.2);
TS_ASSERT_DELTA(tofs_a[ibin/jump],xarray[ibin],0.1);
TS_ASSERT_DELTA(tofs_a[ibin/jump],tofs_b[ibin],0.2);
}
}
AnalysisDataService::Instance().remove("testWS");
}
void TestExecEventsElastic()
{
EventWorkspace_sptr testWS=CreateEventWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
MatrixWorkspace_sptr mtestWS=boost::dynamic_pointer_cast<MatrixWorkspace>(testWS);
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),
"t0_formula","101.9*incidentEnergy^(-0.41)*exp(-incidentEnergy/282.0)");
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setProperty("EMode", "Elastic");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs_a[11]={0.0,1598.38,3190.3,4783.04,6376.76,7971.06,9565.72,11160.6,12755.7,14351,15946.3};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
EventList &evlist=testWS->getEventList(ihist);
MantidVec tofs_b=evlist.getTofs();
MantidVec xarray=evlist.readX();
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs_a[ibin/jump],xarray[ibin],0.1);
TS_ASSERT_DELTA(tofs_a[ibin/jump],tofs_b[ibin],0.2);
}
}
AnalysisDataService::Instance().remove("testWS");
}
void TestExecEventsDirect()
{
EventWorkspace_sptr testWS=CreateEventWorkspace();
AnalysisDataService::Instance().add("testWS", testWS);
MatrixWorkspace_sptr mtestWS=boost::dynamic_pointer_cast<MatrixWorkspace>(testWS);
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),
"t0_formula","101.9*incidentEnergy^(-0.41)*exp(-incidentEnergy/282.0)");
testWS->mutableRun().addProperty("Ei", 100.0, "meV", true);
ModeratorTzero alg;
alg.initialize();
alg.setProperty("InputWorkspace",testWS);
alg.setProperty("OutputWorkspace","testWS");
alg.setProperty("EMode", "Direct");
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.execute());
// Check a few values. These are values separated by 400 bins
const size_t jump(400);
double tofs_a[11]={-10.8185,1589.18,3189.18,4789.18,6389.18,7989.18,9589.18,11189.2,12789.2,14389.2,15989.2};
for (size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
EventList &evlist=testWS->getEventList(ihist);
MantidVec tofs_b=evlist.getTofs();
MantidVec xarray=evlist.readX();
for(size_t ibin=0; ibin < xarray.size(); ibin+=jump)
{
TS_ASSERT_DELTA(tofs_a[ibin/jump],xarray[ibin],0.1);
TS_ASSERT_DELTA(tofs_a[ibin/jump],tofs_b[ibin],0.2);
}
}
AnalysisDataService::Instance().remove("testWS");
......@@ -130,6 +235,10 @@ void TestExecEvents()
private:
/*
* First spectrum is a detector. Remaining two spectra are monitors
* Detector contains histogram of tof with a Gaussian profile
*/
MatrixWorkspace_sptr CreateHistogramWorkspace()
{
const int numHists(3);
......@@ -138,14 +247,16 @@ MatrixWorkspace_sptr CreateHistogramWorkspace()
testWS->getAxis(0)->unit()=Mantid::Kernel::UnitFactory::Instance().create("TOF");
MantidVecPtr xdata;
xdata.access().resize(numBins+1);
const double peakHeight(1000), peakCentre(7000.), sigmaSq(1000*1000.);
const double peakHeight(1000.), peakCentre(7000.), sigmaSq(1000*1000.);
// tof ranges from 0 to 16000 (units assumed micro-seconds
const double rescaling_factor(4.0);
for(int ibin=0; ibin<numBins; ++ibin)
{
const double xValue=4*ibin;
const double xValue = rescaling_factor*ibin;
testWS->dataY(0)[ibin]=peakHeight*exp(-0.5*pow(xValue-peakCentre, 2.)/sigmaSq);
xdata.access()[ibin] = xValue;
}
xdata.access()[numBins] = 4*numBins;
xdata.access()[numBins] = rescaling_factor*numBins;
for( int ihist=0; ihist<numHists; ihist++)
testWS->setX(ihist, xdata);
return testWS;
......@@ -157,6 +268,7 @@ EventWorkspace_sptr CreateEventWorkspace()
const bool clearEvents(true);
EventWorkspace_sptr testWS=WorkspaceCreationHelper::createEventWorkspaceWithFullInstrument(numBanks,numPixels,clearEvents);
testWS->getAxis(0)->unit()=Mantid::Kernel::UnitFactory::Instance().create("TOF");
const double rescaling_factor(4.0);
const size_t numHists=testWS->getNumberHistograms();
for (size_t ihist=0; ihist<numHists; ++ihist)
{
......@@ -165,7 +277,7 @@ EventWorkspace_sptr CreateEventWorkspace()
xdata.access().resize(numBins+1);
for(int ibin=0; ibin<=numBins; ++ibin)
{
double tof=4*ibin;
double tof = rescaling_factor*ibin;
TofEvent tofevent(tof);
xdata.access()[ibin]=tof;
evlist.addEventQuickly(tofevent); // insert event
......@@ -175,16 +287,21 @@ EventWorkspace_sptr CreateEventWorkspace()
return testWS;
}
void AddToInstrument(MatrixWorkspace_sptr &testWS, const bool &add_deltaE_mode=false, const bool &add_t0_formula=false)
void AddToIndirectInstrument(MatrixWorkspace_sptr &testWS, const bool &add_t0_formula=false, const bool &add_Efixed=false)
{
const double evalue(2.082); // energy corresponding to the first order Bragg peak in the analyzers
if(add_deltaE_mode)
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),"deltaE-mode", "indirect");
for(size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
testWS->instrumentParameters().addDouble(testWS->getDetector(ihist)->getComponentID(),"Efixed",evalue);
if(add_t0_formula)
testWS->instrumentParameters().addString(testWS->getInstrument()->getComponentID(),"t0_formula","50.-(50./52500)*incidentEnergy");
}
if(add_Efixed)
{
const double evalue(2.082); // energy corresponding to the first order Bragg peak in the analyzers
for(size_t ihist=0; ihist<testWS->getNumberHistograms(); ++ihist)
{
testWS->instrumentParameters().addDouble(testWS->getDetector(ihist)->getComponentID(),"Efixed",evalue);
}
}
} // end of void AddToInstrumen
};
......
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