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Re #11115. Fixed the tests.
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@mantid-roman
mantid-roman committed Feb 19, 2015
1 parent e4390c4 commit 70ada56
Showing 1 changed file with 14 additions and 99 deletions.
113 changes: 14 additions & 99 deletions Code/Mantid/Framework/CurveFitting/test/GaussianTest.h
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Expand Up @@ -295,85 +295,7 @@ class GaussianTest : public CxxTest::TestSuite

}

void t11estAgainstPeak2FallbackToSimplex()
{
// create peak2 mock data to test against
std::string wsName = "GaussHRP38692MockData";
int histogramNumber = 1;
int timechannels = 41;
Workspace_sptr ws = WorkspaceFactory::Instance().create("Workspace2D",histogramNumber,timechannels,timechannels);
Workspace2D_sptr ws2D = boost::dynamic_pointer_cast<Workspace2D>(ws);
Mantid::MantidVec& x = ws2D->dataX(0); // x-values (time-of-flight)
Mantid::MantidVec& y = ws2D->dataY(0); // y-values (counts)
Mantid::MantidVec& e = ws2D->dataE(0); // error values of counts
getHRP38692Peak2Data(x, y, e);

//put this workspace in the data service
TS_ASSERT_THROWS_NOTHING(AnalysisDataService::Instance().add(wsName, ws2D));

// Initialise algorithm
Fit alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized() );

// create function you want to fit against
CompositeFunction_sptr fnWithBk( new CompositeFunction() );

boost::shared_ptr<LinearBackground> bk( new LinearBackground() );
bk->initialize();

bk->setParameter("A0",0.0);
bk->setParameter("A1",0.0);
bk->tie("A1","0");

BoundaryConstraint* bc_b = new BoundaryConstraint(bk.get(),"A0",0, 20.0);
bk->addConstraint(bc_b);

// set up Gaussian fitting function
boost::shared_ptr<Gaussian> fn( new Gaussian() );
fn->initialize();

fn->setParameter("Height",200.0);
fn->setParameter("PeakCentre",79450.0);
fn->setParameter("Sigma",300.0);

// add constraint to function
BoundaryConstraint* bc3 = new BoundaryConstraint(fn.get(),"Sigma",20, 100.0);
fn->addConstraint(bc3);

fnWithBk->addFunction(bk);
fnWithBk->addFunction(fn);

alg.setProperty("Function",fnWithBk);
// Set which spectrum to fit against and initial starting values
alg.setPropertyValue("InputWorkspace", wsName);
alg.setPropertyValue("StartX","79300");
alg.setPropertyValue("EndX","79600");


// execute fit
TS_ASSERT_THROWS_NOTHING(
TS_ASSERT( alg.execute() )
)
TS_ASSERT( alg.isExecuted() );

// test the output from fit is what you expect
double dummy = alg.getProperty("OutputChi2overDoF");
TS_ASSERT_DELTA( dummy, 0.0,0.1);

IFunction_sptr out = alg.getProperty("Function");
IPeakFunction *pk = dynamic_cast<IPeakFunction *>(dynamic_cast<CompositeFunction*>(out.get())->getFunction(1).get());
TS_ASSERT_DELTA( pk->height(), 249.3187 ,0.01);
TS_ASSERT_DELTA( pk->centre(), 79430 ,0.1);
TS_ASSERT_DELTA( pk->getParameter("Sigma"), 25.3066 ,0.01);
TS_ASSERT_DELTA( out->getParameter("f0.A0"), 7.8643 ,0.001);
TS_ASSERT_DELTA( out->getParameter("f0.A1"), 0.0 ,0.01);

AnalysisDataService::Instance().remove(wsName);
}


void xtestAgainstMockData()
void testAgainstMockData()
{
// create mock data to test against
std::string wsName = "GaussMockData";
Expand Down Expand Up @@ -404,25 +326,23 @@ class GaussianTest : public CxxTest::TestSuite
alg2.setPropertyValue("WorkspaceIndex","0");
alg2.setPropertyValue("StartX","0");
alg2.setPropertyValue("EndX","20");
alg2.setPropertyValue("Minimizer","Levenberg-MarquardtMD");

// execute fit
TS_ASSERT_THROWS_NOTHING(
TS_ASSERT( alg2.execute() )
)
TS_ASSERT( alg2.isExecuted() );

std::string minimizer = alg2.getProperty("Minimizer");
TS_ASSERT( minimizer.compare("Levenberg-Marquardt") == 0 );

// test the output from fit is what you expect
double dummy = alg2.getProperty("OutputChi2overDoF");
TS_ASSERT_DELTA( dummy, 0.035,0.01);

IFunction_sptr out = alg2.getProperty("Function");
IPeakFunction *pk = dynamic_cast<IPeakFunction *>(out.get());
TS_ASSERT_DELTA( pk->height(), 97.9728 ,0.0001);
TS_ASSERT_DELTA( pk->centre(), 11.2194 ,0.0001);
TS_ASSERT_DELTA( pk->fwhm(), 2.6181 ,0.0001);
TS_ASSERT_DELTA( pk->height(), 97.8036 ,0.0001);
TS_ASSERT_DELTA( pk->centre(), 11.2356 ,0.0001);
TS_ASSERT_DELTA( pk->fwhm(), 2.6237 ,0.0001);
}


Expand Down Expand Up @@ -492,15 +412,15 @@ class GaussianTest : public CxxTest::TestSuite
// and used a starting of Sigma = 100.
// Note that the no constraint simplex with Sigma = 300 also does not locate
// the correct minimum but not as badly as levenberg-marquardt
void t11estAgainstHRPD_DatasetWithConstraintsSimplex()
void testAgainstHRPD_DatasetWithConstraintsSimplex()
{
// create peak2 mock data to test against
std::string wsName = "GaussHRP38692MockData";
int histogramNumber = 1;
int timechannels = 41;
Workspace_sptr ws = WorkspaceFactory::Instance().create("Workspace2D",histogramNumber,timechannels,timechannels);
Workspace2D_sptr ws2D = boost::dynamic_pointer_cast<Workspace2D>(ws);
Mantid::MantidVec& x = ws2D->dataX(0); // x-values (time-of-flight)
Mantid::MantidVec& x = ws2D->dataX(0); // x-values (time-of-flight)
Mantid::MantidVec& y = ws2D->dataY(0); // y-values (counts)
Mantid::MantidVec& e = ws2D->dataE(0); // error values of counts
getHRP38692Peak2Data(x, y, e);
Expand Down Expand Up @@ -536,21 +456,16 @@ class GaussianTest : public CxxTest::TestSuite
fn->setParameter("Sigma",10.0);

// add constraint to function
//BoundaryConstraint* bc1 = new BoundaryConstraint(fn,"Height",100, 300.0);
//BoundaryConstraint* bc2 = new BoundaryConstraint(fn,"PeakCentre",79200, 79700.0);
BoundaryConstraint* bc3 = new BoundaryConstraint(fn.get(),"Sigma",20, 100.0);
//fn->addConstraint(bc1);
//fn->addConstraint(bc2);
fn->addConstraint(bc3);

fnWithBk->addFunction(bk);
fnWithBk->addFunction(fn);

//alg.setPropertyValue("Function",*fnWithBk);
alg.setProperty("Function",fnWithBk);
alg.setProperty("Function",boost::dynamic_pointer_cast<IFunction>(fnWithBk));

// Set which spectrum to fit against and initial starting values
alg.setPropertyValue("InputWorkspace",wsName);
alg.setProperty("InputWorkspace",ws);
alg.setPropertyValue("StartX","79300");
alg.setPropertyValue("EndX","79600");
alg.setPropertyValue("Minimizer","Simplex");
Expand All @@ -566,16 +481,16 @@ class GaussianTest : public CxxTest::TestSuite

// test the output from fit is what you expect
double dummy = alg.getProperty("OutputChi2overDoF");
TS_ASSERT_DELTA( dummy, 5.1604,1);
TS_ASSERT_DELTA( dummy, 2.5911,1);

IFunction_sptr fun = alg.getProperty("Function");
TS_ASSERT(fun);

IFunction_sptr out = alg.getProperty("Function");
TS_ASSERT_DELTA( out->getParameter("f1.Height"), 216.419 ,1);
TS_ASSERT_DELTA( out->getParameter("f1.PeakCentre"), 79430.1 ,1);
TS_ASSERT_DELTA( out->getParameter("f1.Sigma"), 27.08 ,0.1);
TS_ASSERT_DELTA( out->getParameter("f0.A0"), 2.18 ,0.1);
TS_ASSERT_DELTA( out->getParameter("f1.Height"), 232 ,1);
TS_ASSERT_DELTA( out->getParameter("f1.PeakCentre"), 79430 ,1);
TS_ASSERT_DELTA( out->getParameter("f1.Sigma"), 26.08 ,1);
TS_ASSERT_DELTA( out->getParameter("f0.A0"), 8 ,1);
TS_ASSERT_DELTA( out->getParameter("f0.A1"), 0.0 ,0.01);

AnalysisDataService::Instance().remove(wsName);
Expand Down

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