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Add unit test LoadGSASInstrumentFileTest.h re #9260
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Signed-off-by: Karl Palmen <karl.palmen@stfc.ac.uk>
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KarlPalmen committed Apr 17, 2014
1 parent ed309d1 commit cba6e0e
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1 change: 1 addition & 0 deletions Code/Mantid/Framework/DataHandling/CMakeLists.txt
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Expand Up @@ -296,6 +296,7 @@ set ( TEST_FILES
LoadEventPreNexus2Test.h
LoadEventPreNexusTest.h
LoadFullprofResolutionTest.h
LoadGSASInstrumentFileTest.h
LoadGSSTest.h
LoadIDFFromNexusTest.h
LoadILLSANSTest.h
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310 changes: 310 additions & 0 deletions Code/Mantid/Framework/DataHandling/test/LoadGSASInstrumentFileTest.h
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@@ -0,0 +1,310 @@
#ifndef MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILETEST_H_
#define MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILETEST_H_

#include <cxxtest/TestSuite.h>

#include "MantidDataHandling/LoadGsasInstrumentFile.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidDataHandling/LoadInstrument.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/Component.h"
#include "MantidGeometry/Instrument/FitParameter.h"
#include <fstream>
#include <Poco/File.h>

using Mantid::DataHandling::LoadGSASInstrumentFile;

using namespace Mantid;
using namespace Mantid::DataHandling;
using namespace Mantid::DataObjects;
using namespace Mantid::Kernel;
using namespace Mantid::API;

using namespace std;

class LoadGSASInstrumentFileTest : public CxxTest::TestSuite
{
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
static LoadGSASInstrumentFileTest *createSuite() { return new LoadGSASInstrumentFileTest(); }
static void destroySuite( LoadGSASInstrumentFileTest *suite ) { delete suite; }

//----------------------------------------------------------------------------------------------
/** Test import from a 1-bank prm file
*/
void test_1BankCase()
{
// 1. Generate file
string filename("Test1Bank.prm");
generate1BankPrmFile(filename);

// 2. Load
LoadGSASInstrumentFile alg;
alg.initialize();

alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "Test1BankTable");

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

TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("Test1BankTable"));
TS_ASSERT(outws);

TS_ASSERT_EQUALS(outws->columnCount(), 2);
TS_ASSERT_EQUALS(outws->rowCount(), getExpectedNumberOfRows() );

// 3. Verify name and value
map<string, double> parammap;
parseTableWorkspace(outws, parammap);

TS_ASSERT_EQUALS(parammap.count("Beta0"),1);
TS_ASSERT_EQUALS(parammap.count("Sig1"),1);
TS_ASSERT_EQUALS(parammap.count("Gam1"),1);

TS_ASSERT_DELTA(parammap["Beta0"], 31.793, 0.001);
TS_ASSERT_DELTA(parammap["Sig1"], 176.802, 0.001);
TS_ASSERT_DELTA(parammap["Gam1"], 0.007, 0.0001);

// 4. Clean
AnalysisDataService::Instance().remove("Test1BankTable");
Poco::File("Test1Bank.prm").remove();

return;
}

//----------------------------------------------------------------------------------------------
/** Test import from a 2-bank prm file
*/
void test_2BankCase()
{
// 1. Generate file
string filename("Test2Bank.prm");
generate2BankPrmFile(filename);

// 2. Load
LoadGSASInstrumentFile alg;
alg.initialize();

alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "Test2BankTable");

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

TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("Test2BankTable"));
TS_ASSERT(outws);

TS_ASSERT_EQUALS(outws->columnCount(), 3);
TS_ASSERT_EQUALS(outws->rowCount(), getExpectedNumberOfRows());

// 3. Verify name and value
map<string, double> parammap1;
parseTableWorkspace(outws, parammap1);
TS_ASSERT_EQUALS(parammap1.count("Alph1"),1);
TS_ASSERT_EQUALS(parammap1.count("Sig2"),1);
TS_ASSERT_EQUALS(parammap1.count("Gam1"),1);

TS_ASSERT_DELTA(parammap1["Alph1"], 0.21, 0.0001);
TS_ASSERT_DELTA(parammap1["Sig2"], 0.0, 0.0001);
TS_ASSERT_DELTA(parammap1["Gam1"], 0.007, 0.00001);

map<string, double> parammap2;
parseTableWorkspace2(outws, parammap2);
TS_ASSERT_EQUALS(parammap2.count("Alph1"),1);
TS_ASSERT_EQUALS(parammap2.count("Sig2"),1);
TS_ASSERT_EQUALS(parammap2.count("Gam1"),1);

TS_ASSERT_DELTA(parammap2["Alph1"], 0.22, 0.0001);
TS_ASSERT_DELTA(parammap2["Sig2"], -1.34662, 0.0001);
TS_ASSERT_DELTA(parammap2["Gam1"], 3.61229, 0.00001);

// 4. Clean
AnalysisDataService::Instance().remove("Test2BankTable");
Poco::File("Test2Bank.prm").remove();

return;
}

//----------------------------------------------------------------------------------------------
/** Test import of ALFBE, GAMMA and SIGMA parameters
* and check they are given their expected names.
*/
void test_ags_parameters()
{
// 1. Generate file
string filename("TestAGS.prm");
generate1BankPrmFile(filename);

// 2. Load
LoadGSASInstrumentFile alg;
alg.initialize();

alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "TestAGSTable");

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

TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestAGSTable"));
TS_ASSERT(outws);

// 3. Verify names
map<string, double> parammap;
parseTableWorkspace(outws, parammap);

// 3a. ALFBE
TS_ASSERT_EQUALS(parammap.count("Alph0"),1);
TS_ASSERT_EQUALS(parammap.count("Beta0"),1);
TS_ASSERT_EQUALS(parammap.count("Alph1"),1);
TS_ASSERT_EQUALS(parammap.count("Beta1"),1);
// 3b. GAMMA
TS_ASSERT_EQUALS(parammap.count("Gam2"),1);
TS_ASSERT_EQUALS(parammap.count("Gam1"),1);
TS_ASSERT_EQUALS(parammap.count("Gam0"),1);
// 3c. SIGMA
TS_ASSERT_EQUALS(parammap.count("Sig2"),1);
TS_ASSERT_EQUALS(parammap.count("Sig1"),1);
TS_ASSERT_EQUALS(parammap.count("Sig0"),1);

// 4. Clean
AnalysisDataService::Instance().remove("TestAGSTable");
Poco::File("TestAGS.prm").remove();

return;
}

//----------------------------------------------------------------------------------------------
/** Parse a TableWorkspace to a map
*/
void parseTableWorkspace(TableWorkspace_sptr tablews, map<string, double>& parammap)
{
parammap.clear();

size_t numrows = tablews->rowCount();
for (size_t i = 0; i < numrows; ++i)
{
TableRow row = tablews->getRow(i);
double value;
string name;
row >> name >> value;
parammap.insert(make_pair(name, value));
}

return;
}


//----------------------------------------------------------------------------------------------
/** Parse a TableWorkspace's 2nd bank to a map
*/
void parseTableWorkspace2(TableWorkspace_sptr tablews, map<string, double>& parammap)
{
parammap.clear();

size_t numrows = tablews->rowCount();
for (size_t i = 0; i < numrows; ++i)
{
TableRow row = tablews->getRow(i);
double value1, value2;
string name;
row >> name >> value1 >> value2;
parammap.insert(make_pair(name, value2));
}

return;
}

//----------------------------------------------------------------------------------------------
/** Generate a 1 bank .prm file
*/
void generate1BankPrmFile(string filename)
{
ofstream ofile;
ofile.open(filename.c_str());

if (ofile.is_open())
{
ofile << "COMM Test file with one bank \n";
ofile << "INS BANK 1 \n";
ofile << "INS HTYPE PNTR \n";
ofile << "COMM5678901234567890 \n";
ofile << "INS 1 ICONS 746.96 -0.24 3.04 \n";
ofile << "INS 1BNKPAR 2.3696 9.39 0.00 .00000 .3000 1 1 \n";
ofile << "INS 1I ITYP 0 1.000 25.000 2 \n";
ofile << "INS 1PRCF 2 15 0.00100 \n";
ofile << "COMM The next 15 parameters as in wiki page CreateIkedaCarpenterParametersGSAS \n";
ofile << "INS 1PRCF 1 0.000000E+00 0.210000E+00 0.317927E+02 0.514205E+02 \n";
ofile << "INS 1PRCF 2 0.100000E+00 0.176802E+03 0.000000E+00 0.000000E+00 \n";
ofile << "INS 1PRCF 3 0.007000E+00 0.008000E+00 0.000000E+00 0.000000E+00 \n";
ofile << "INS 1PRCF 4 0.000000E+00 0.000000E+00 0.000000E+00 \n";
ofile.close();
}
else
{
throw runtime_error("Unable to open file to write.");
}

return;
}

//----------------------------------------------------------------------------------------------
/** Generate a 2 bank .irf file
*/
void generate2BankPrmFile(string filename)
{
ofstream ofile;
ofile.open(filename.c_str());

if (ofile.is_open())
{
ofile << "COMM Test file with two banks \n";
ofile << "INS BANK 2 \n";
ofile << "INS HTYPE PNTR \n";
ofile << "COMM5678901234567890 \n";
ofile << "INS 1 ICONS 746.96 -0.24 3.04 \n";
ofile << "INS 1BNKPAR 2.3696 9.39 0.00 .00000 .3000 1 1 \n";
ofile << "INS 1I ITYP 0 1.000 25.000 2 \n";
ofile << "INS 1PRCF 2 15 0.00100 \n";
ofile << "INS 1PRCF 1 0.000000E+00 0.210000E+00 0.317927E+02 0.514205E+02 \n";
ofile << "INS 1PRCF 2 0.100000E+00 0.176802E+03 0.000000E+00 0.000000E+00 \n";
ofile << "INS 1PRCF 3 0.007000E+00 0.000000E+00 0.000000E+00 0.000000E+00 \n";
ofile << "INS 1PRCF 4 0.000000E+00 0.000000E+00 0.000000E+00 \n";
ofile << "INS 2 ICONS 1482.98 0.98 12.65 \n";
ofile << "INS 2BNKPAR 1.7714 17.98 0.00 .00000 .3000 1 1 \n";
ofile << "INS 2I ITYP 0 1.000 21.000 2 \n";
ofile << "INS 2PRCF 2 15 0.00100 \n";
ofile << "INS 2PRCF 1 0.001000E+00 0.220000E+00 0.327927E+02 0.524205E+02 \n";
ofile << "INS 2PRCF 2 0.200000E+00 0.295572E+03 -0.134662E+01 0.000000E+00 \n";
ofile << "INS 2PRCF 3 0.361229E+01 0.000000E+00 0.000000E+00 0.000000E+00 \n";
ofile << "INS 2PRCF 4 0.000000E+00 0.000000E+00 0.000000E+00 \n";
ofile.close();
}
else
{
throw runtime_error("Unable to open file to write.");
}

return;
}

/* Return the number of rows the table must have
*/
int getExpectedNumberOfRows()
{
return 12; // Change this value if you add or remove any rows from the OutputTableWorkspace
}

private:
std::string wsName; // For Workspace property

};


#endif /* MANTID_DATAHANDLING_LOADGSASINSTRUMENTFILETEST_H_ */

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