-
Karl Palmen authored
Signed-off-by:Karl Palmen <karl.palmen@stfc.ac.uk>
Karl Palmen authoredSigned-off-by:
Code owners
Assign users and groups as approvers for specific file changes. Learn more.
LoadFullprofResolutionTest.h 24.64 KiB
#ifndef MANTID_DATAHANDLING_LOADFULLPROFRESOLUTIONTEST_H_
#define MANTID_DATAHANDLING_LOADFULLPROFRESOLUTIONTEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidDataHandling/LoadFullprofResolution.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include <fstream>
#include <Poco/File.h>
using Mantid::DataHandling::LoadFullprofResolution;
using namespace Mantid;
using namespace Mantid::DataObjects;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace std;
class LoadFullprofResolutionTest : 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 LoadFullprofResolutionTest *createSuite() { return new LoadFullprofResolutionTest(); }
static void destroySuite( LoadFullprofResolutionTest *suite ) { delete suite; }
//----------------------------------------------------------------------------------------------
/** Test import from a 1-bank irf file
*/
void test_1BankCase()
{
// 1. Generate file
string filename("Test1Bank.irf");
generate1BankIrfFile(filename);
// 2. Load
LoadFullprofResolution alg;
alg.initialize();
alg.setProperty("Filename", filename);
alg.setPropertyValue("Banks", "1");
alg.setProperty("OutputTableWorkspace", "TestBank1Table");
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());
TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestBank1Table"));
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("Zero"),1);
TS_ASSERT_EQUALS(parammap.count("Sig2"),1);
TS_ASSERT_EQUALS(parammap.count("Beta0t"),1);
TS_ASSERT_DELTA(parammap["Zero"], -1.00, 0.0001);
TS_ASSERT_DELTA(parammap["Sig2"], sqrt(514.546), 0.0001);
TS_ASSERT_DELTA(parammap["Beta0t"], 85.918922, 0.00001);
// 4. Clean
AnalysisDataService::Instance().remove("TestBank1Table");
Poco::File("Test1Bank.irf").remove();
return;
}
//----------------------------------------------------------------------------------------------
/** Test import from a 1-bank irf file
*/
void test_2BankCase()
{
// 1. Generate file
string filename("Test2Bank.irf");
generate2BankIrfFile(filename);
// 2. Load
LoadFullprofResolution alg;
alg.initialize();
alg.setProperty("Filename", filename);
alg.setPropertyValue("Banks", "3");
alg.setProperty("OutputTableWorkspace", "TestBank3Table");
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());
TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestBank3Table"));
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("Dtt1"),1);
TS_ASSERT_EQUALS(parammap.count("Sig1"),1);
TS_ASSERT_EQUALS(parammap.count("Alph0t"),1);
TS_ASSERT_DELTA(parammap["Dtt1"], 22586.10156, 0.0001);
TS_ASSERT_DELTA(parammap["Sig1"], sqrt(10.00), 0.0001);
TS_ASSERT_DELTA(parammap["Alph0t"], 86.059, 0.00001);
// 4. Clean
AnalysisDataService::Instance().remove("TestBank3Table");
Poco::File("Test2Bank.irf").remove();
return;
}
//----------------------------------------------------------------------------------------------
/** Test import all banks from a 2-bank irf file
*/
void test_LoadAllBankCase()
{
// Generate file
string filename("Test2Bank.irf");
generate2BankIrfFile(filename);
// Init LoadFullprofResolution
LoadFullprofResolution alg;
alg.initialize();
// Set up
alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "TestBank4Table");
// Execute
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());
// Check output workspace
TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestBank4Table"));
TS_ASSERT(outws);
// Check table workspace size
TS_ASSERT_EQUALS(outws->columnCount(), 3);
TS_ASSERT_EQUALS(outws->rowCount(), getExpectedNumberOfRows());
// Verify value (including bank number)
map<string, double> parammap1;
parseTableWorkspace(outws, parammap1);
TS_ASSERT_DELTA(parammap1["BANK"], 1.0, 0.0001);
TS_ASSERT_DELTA(parammap1["Dtt1"], 22580.59157, 0.0001);
TS_ASSERT_DELTA(parammap1["Sig1"], sqrt(0.00044), 0.0001);
TS_ASSERT_DELTA(parammap1["Alph0t"], 0.010156, 0.00001);
map<string, double> parammap2;
parseTableWorkspace2(outws, parammap2);
TS_ASSERT_DELTA(parammap2["BANK"], 3.0, 0.0001);
TS_ASSERT_DELTA(parammap2["Dtt1"], 22586.10156, 0.0001);
TS_ASSERT_DELTA(parammap2["Sig1"], sqrt(10.00), 0.0001);
TS_ASSERT_DELTA(parammap2["Alph0t"], 86.059, 0.00001);
// Clean
AnalysisDataService::Instance().remove("TestBank4Table");
Poco::File("Test2Bank.irf").remove();
return;
}
//----------------------------------------------------------------------------------------------
/** Test import all banks from a 2-bank irf file
*/
void test_Load3BankCase()
{
// Generate file
string filename("Test3Bank.irf");
generate3BankIrfFile(filename);
// Init LoadFullprofResolution
LoadFullprofResolution alg;
alg.initialize();
// Set up
alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "TestBank5Table");
alg.setPropertyValue("Banks", "2-4");
// Execute
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());
// Check output workspace
TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestBank5Table"));
TS_ASSERT(outws);
// Check table workspace size
TS_ASSERT_EQUALS(outws->columnCount(), 4);
TS_ASSERT_EQUALS(outws->rowCount(), getExpectedNumberOfRows());
// Verify value
map<string, double> parammap1;
parseTableWorkspace(outws, parammap1);
TS_ASSERT_DELTA(parammap1["Dtt1"], 22580.59157, 0.0001);
TS_ASSERT_DELTA(parammap1["Sig1"], sqrt(0.00044), 0.0001);
TS_ASSERT_DELTA(parammap1["Alph0t"], 0.010156, 0.00001);
// Clean
AnalysisDataService::Instance().remove("TestBank5Table");
Poco::File("Test3Bank.irf").remove();
return;
}
//----------------------------------------------------------------------------------------------
/** Test import of ALFBE, GAMMA and SIGMA parameters
* and check they are given their expected names.
* ConvertFullprofToXML relies on features tested here.
*/
void test_ags_parameters()
{
// 1. Generate file
string filename("TestAGS.irf");
generate1BankIrfFile(filename);
// 2. Load
LoadFullprofResolution alg;
alg.initialize();
alg.setProperty("Filename", filename);
alg.setPropertyValue("Banks", "1");
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.irf").remove();
return;
}
//----------------------------------------------------------------------------------------------
/** Test that the number from the NPROF is read correctly
** and has correct name in table.
*/
void test_nprof()
{
// Generate file
string filename("TestNPROF.irf");
generate3BankIrfFile(filename);
// Init LoadFullprofResolution LoadFullprofResolution alg;
alg.initialize();
// Set up
alg.setProperty("Filename", filename);
alg.setProperty("OutputTableWorkspace", "TestNPROFTable");
// Execute
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(alg.isExecuted());
// Retrieve output
TableWorkspace_sptr outws = boost::dynamic_pointer_cast<TableWorkspace>(
AnalysisDataService::Instance().retrieve("TestNPROFTable"));
TS_ASSERT(outws);
// Verify NPROF exists and has a value of 10 for first two banks
map<string, double> parammap1;
parseTableWorkspace(outws, parammap1); // 1st bank
map<string, double> parammap2;
parseTableWorkspace2(outws, parammap2); // 2nd bank
TS_ASSERT_EQUALS(parammap1.count("NPROF"),1);
TS_ASSERT_DELTA(parammap1["NPROF"], 10.0, 0.0001);
TS_ASSERT_EQUALS(parammap2.count("NPROF"),1);
TS_ASSERT_DELTA(parammap2["NPROF"], 10.0, 0.0001);
// Clean
AnalysisDataService::Instance().remove("TestNPROFTable");
Poco::File("TestNPROF.irf").remove();
}
//----------------------------------------------------------------------------------------------
/** Test Exception
*/
void test_WrongInputBankCase()
{
// 1. Generate file
string filename("Test2Bank.irf");
generate2BankIrfFile(filename);
// 2. Load
LoadFullprofResolution alg;
alg.initialize();
alg.setProperty("Filename", filename);
alg.setPropertyValue("Banks", "2");
alg.setProperty("OutputTableWorkspace", "TestBank3Table");
alg.execute();
// 3. Check if failed
TS_ASSERT(!alg.isExecuted());
// 4. Clean
Poco::File("Test2Bank.irf").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 .irf file
*/
void generate1BankIrfFile(string filename)
{
ofstream ofile;
ofile.open(filename.c_str());
if (ofile.is_open())
{
ofile << " Instrumental resolution function for POWGEN/SNS A Huq 2013-12-03 ireso: 6 \n";
ofile << "! To be used with function NPROF=10 in FullProf (Res=6) \n";
ofile << "! ---------------------------------------------- Bank 1 CWL = 0.5330A \n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 5000.2300 4.0002 51000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF -1.00 22580.59157 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT 933.50214 22275.21084 1.0290 0.0000002 5.0957 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.00 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 514.546 0.00044 0.355 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 0.000 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 0.000008 6.251096 0.000000 0.000000 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 \n";
ofile << "END \n";
ofile.close();
}
else
{
throw runtime_error("Unable to open file to write."); }
return;
}
//----------------------------------------------------------------------------------------------
/** Generate a 2 bank .irf file
*/
void generate2BankIrfFile(string filename)
{
ofstream ofile;
ofile.open(filename.c_str());
if (ofile.is_open())
{
ofile << " Instrumental resolution function for POWGEN/SNS A Huq 2013-12-03 ireso: 6 \n";
ofile << "! To be used with function NPROF=10 in FullProf (Res=6) \n";
ofile << "! ---------------------------------------------- Bank 1 CWL = 0.5330A \n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 5000.2300 4.0002 51000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF -1.00 22580.59157 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT 933.50214 22275.21084 1.0290 0.0000002 5.0957 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.00 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 514.546 0.00044 0.355 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 0.000 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 0.000008 6.251096 0.000000 0.000000 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 \n";
ofile << "END \n";
ofile << "! ---------------------------------------------- Bank 3 CWL = 1.3330A\n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 9800.0000 5.0000 86000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF 0.00 22586.10156 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT -42.76068 22622.76953 0.30 0.3560 2.4135 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.000 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 72.366 10.000 0.000 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 2.742 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 1.500 3.012 5.502 9.639 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 86.059 96.487 13.445 3.435 \n";
ofile.close();
}
else
{
throw runtime_error("Unable to open file to write.");
}
return;
}
/** Generate a 3 bank .irf file
*/
void generate3BankIrfFile(string filename) {
ofstream ofile;
ofile.open(filename.c_str());
if (ofile.is_open())
{
ofile << " Instrumental resolution function for POWGEN/SNS A Huq 2013-12-03 ireso: 6 \n";
ofile << "! To be used with function NPROF=10 in FullProf (Res=6) \n";
ofile << "! ---------------------------------------------- Bank 2 CWL = 0.5330A \n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 5000.2300 4.0002 51000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF -1.00 22580.59157 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT 933.50214 22275.21084 1.0290 0.0000002 5.0957 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.00 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 514.546 0.00044 0.355 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 0.000 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 0.000008 6.251096 0.000000 0.000000 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 \n";
ofile << "END \n";
ofile << "! ---------------------------------------------- Bank 3 CWL = 0.5339A \n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 5000.2300 4.0002 51000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF -1.00 22580.59157 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT 933.50214 22275.21084 1.0290 0.0000002 5.0957 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.00 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 514.546 0.00044 0.355 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 0.000 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 0.000008 6.251096 0.000000 0.000000 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 \n";
ofile << "END \n";
ofile << "! ---------------------------------------------- Bank 4 CWL = 1.3330A\n";
ofile << "! Type of profile function: back-to-back exponentials * pseudo-Voigt \n";
ofile << "NPROF 10 \n";
ofile << "! Tof-min(us) step Tof-max(us) \n";
ofile << "TOFRG 9800.0000 5.0000 86000.0000 \n";
ofile << "! Zero Dtt1 \n";
ofile << "ZD2TOF 0.00 22586.10156 \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width \n";
ofile << "ZD2TOT -42.76068 22622.76953 0.30 0.3560 2.4135 \n";
ofile << "! TOF-TWOTH of the bank \n";
ofile << "TWOTH 90.000 \n";
ofile << "! Sig-2 Sig-1 Sig-0 \n";
ofile << "SIGMA 72.366 10.000 0.000 \n";
ofile << "! Gam-2 Gam-1 Gam-0 \n";
ofile << "GAMMA 0.000 2.742 0.000 \n";
ofile << "! alph0 beta0 alph1 beta1 \n";
ofile << "ALFBE 1.500 3.012 5.502 9.639 \n";
ofile << "! alph0t beta0t alph1t beta1t \n";
ofile << "ALFBT 86.059 96.487 13.445 3.435 \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 29; // Change this value if you add or remove any rows from the OutputTableWorkspace
}
};
#endif /* MANTID_DATAHANDLING_LOADFULLPROFRESOLUTIONTEST_H_ */