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Added unit test on profile 10. Refs #8096.
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@wdzhou
wdzhou committed Oct 14, 2013
1 parent 322aa1f commit 2269a99
Showing 1 changed file with 72 additions and 110 deletions.
182 changes: 72 additions & 110 deletions Code/Mantid/Framework/DataHandling/test/SaveFullprofResolutionTest.h
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Original file line number Diff line number Diff line change
Expand Up @@ -39,33 +39,42 @@ class SaveFullprofResolutionTest : public CxxTest::TestSuite
//----------------------------------------------------------------------------------------------
/** Test save profile 10
*/
void XXXtest_SaveFile()
void test_write1BankProfl10()
{
// 1. Create input workspace
throw runtime_error("Need to dig out the data");
string filename("/home/wzz/Mantid/Code/debug/MyTestData/Bank1InstrumentTable.dat");
map<std::string, double> parameters, newvalueparameters;
map<string, vector<double> > parametermcs;
importInstrumentTxtFile(filename, parameters, parametermcs);
TableWorkspace_sptr itablews = createInstrumentParameterWorkspace(parameters, newvalueparameters, parametermcs);
// Create input workspace
std::string prof10tablewsname("Bank1InstrumentParameterTable");
createProfile10TableWS(prof10tablewsname);

AnalysisDataService::Instance().addOrReplace("Bank1InstrumentParameterTable", itablews);

// 2. Init the algorithm
// Init the algorithm
Mantid::DataHandling::SaveFullprofResolution alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());

// 3. Set up
// Set up properties
alg.setProperty("InputWorkspace", "Bank1InstrumentParameterTable");
alg.setProperty("OutputFilename", "bank1.irf");
alg.setProperty("Bank", 1);

// 4. Execute
// Execute
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());

TS_ASSERT_EQUALS(1, 212);
// Check file
bool outputfileexist = Poco::File("bank1.irf").exists();
TS_ASSERT(outputfileexist);

if (!outputfileexist)
{
return;
}

// Check file lines
int numlines = getFileLines("bank1.irf");
TS_ASSERT_EQUALS(numlines, 22);

// Clean
Poco::File("bank1.irf").remove();

return;
}

//----------------------------------------------------------------------------------------------
Expand Down Expand Up @@ -246,51 +255,61 @@ class SaveFullprofResolutionTest : public CxxTest::TestSuite
}


//---------------- Helpers To Create Input Workspaces --------------------------

/** Create instrument geometry parameter/LeBail parameter workspaces
//----------------------------------------------------------------------------------------------
/** Create instrument geometry parameter/LeBail parameter workspaces of profil 10
* Source data is from POWGEN's bank 1 calibrated
*/
DataObjects::TableWorkspace_sptr createInstrumentParameterWorkspace(std::map<std::string, double> parameters,
std::map<std::string, double> newvalueparameters,
map<string, vector<double> > mcparameters)
void createProfile10TableWS(std::string wsname)
{
UNUSED_ARG(mcparameters);

// 1. Combine 2 inputs
std::map<std::string, double>::iterator nvit;
std::stringstream infoss;
infoss << "Modifying parameters: " << std::endl;
for (nvit = newvalueparameters.begin(); nvit != newvalueparameters.end(); ++nvit)
{
std::map<std::string, double>::iterator fdit;
fdit = parameters.find(nvit->first);
if (fdit != parameters.end())
{
fdit->second = nvit->second;
infoss << "Name: " << std::setw(15) << fdit->first << ", Value: " << fdit->second << std::endl;
}
}
std::cout << infoss.str();

// 2. Crate table workspace
DataObjects::TableWorkspace* tablews = new DataObjects::TableWorkspace();
DataObjects::TableWorkspace_sptr geomws = DataObjects::TableWorkspace_sptr(tablews);

tablews->addColumn("str", "Name");
tablews->addColumn("double", "Value");
tablews->addColumn("str", "FitOrTie");
tablews->addColumn("double", "Chi2");
tablews->addColumn("double", "Min");
tablews->addColumn("double", "Max");
tablews->addColumn("double", "StepSize");

// 2. Add peak parameters' name and values
// Create a map of string/double for parameters of profile 10
std::map<std::string, double> parammap;
parammap.insert(make_pair("BANK", 1 ));
parammap.insert(make_pair("Alph0" , 1.88187));
parammap.insert(make_pair("Alph0t", 64.4102));
parammap.insert(make_pair("Alph1", 0. ));
parammap.insert(make_pair("Alph1t", 0. ));
parammap.insert(make_pair("Beta0" , 6.2511 ));
parammap.insert(make_pair("Beta0t", 85.9189));
parammap.insert(make_pair("Beta1", 0. ));
parammap.insert(make_pair("Beta1t", 0. ));
parammap.insert(make_pair("CWL", 0.533 ));
parammap.insert(make_pair("Dtt1", 22584.5));
parammap.insert(make_pair("Dtt1t", 22604.9));
parammap.insert(make_pair("Dtt2", 0 ));
parammap.insert(make_pair("Dtt2t", 0.3 ));
parammap.insert(make_pair("Gam0" , 0 ));
parammap.insert(make_pair("Gam1", 5.744 ));
parammap.insert(make_pair("Gam2", 0 ));
parammap.insert(make_pair("Sig0" , 0 ));
parammap.insert(make_pair("Sig1", 3.16228));
parammap.insert(make_pair("Sig2", 16.7331));
parammap.insert(make_pair("Tcross", 0.356 ));
parammap.insert(make_pair("Width", 1.0521 ));
parammap.insert(make_pair("Zero", 0 ));
parammap.insert(make_pair("Zerot", 11.3175));
parammap.insert(make_pair("step", 4.0002 ));
parammap.insert(make_pair("tof-max", 51000 ));
parammap.insert(make_pair("tof-min", 5000.23));
parammap.insert(make_pair("twotheta", 90.0 ));

// Crate table workspace
DataObjects::TableWorkspace_sptr geomws = boost::make_shared<TableWorkspace>();

geomws->addColumn("str", "Name");
geomws->addColumn("double", "Value");
geomws->addColumn("str", "FitOrTie");
geomws->addColumn("double", "Chi2");
geomws->addColumn("double", "Min");
geomws->addColumn("double", "Max");
geomws->addColumn("double", "StepSize");

// Add peak parameters' name and values
map<string, double>::iterator mit;
string fitortie("f");
double minvalue = 0.0;
double maxvalue = 0.0;
double stepsize = 0.0;
for (mit = parameters.begin(); mit != parameters.end(); ++mit)
for (mit = parammap.begin(); mit != parammap.end(); ++mit)
{
string parname = mit->first;
double parvalue = mit->second;
Expand All @@ -299,64 +318,7 @@ class SaveFullprofResolutionTest : public CxxTest::TestSuite
newrow << parname << parvalue << fitortie << 1.234 << minvalue << maxvalue << stepsize;
}

return geomws;
}

/** Import text file containing the instrument parameters
* Format: name, value, min, max, step-size
* Input: a text based file
* Output: a map for (parameter name, parameter value)
*/
void importInstrumentTxtFile(std::string filename, std::map<std::string, double>& parameters,
std::map<string, vector<double> >& parametermcs)
{
// 1. Open file
std::ifstream ins;
ins.open(filename.c_str());
if (!ins.is_open())
{
std::cout << "File " << filename << " cannot be opened. " << std::endl;
throw std::invalid_argument("Cannot open Reflection-Text-File.");
}
else
{
std::cout << "Importing instrument parameter file " << filename << std::endl;
}

// 2. Parse
parameters.clear();
parametermcs.clear();

char line[256];
while(ins.getline(line, 256))
{
if (line[0] != '#')
{
std::string parname;
double parvalue, parmin, parmax, parstepsize;

std::stringstream ss;
ss.str(line);
ss >> parname >> parvalue;
parameters.insert(std::make_pair(parname, parvalue));

try
{
ss >> parmin >> parmax >> parstepsize;
vector<double> mcpars;
mcpars.push_back(parmin);
mcpars.push_back(parmax);
mcpars.push_back(parstepsize);
parametermcs.insert(make_pair(parname, mcpars));
}
catch (runtime_error err)
{
;
}
}
}

ins.close();
AnalysisDataService::Instance().addOrReplace(wsname, geomws);

return;
}
Expand Down

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