diff --git a/Framework/Algorithms/CMakeLists.txt b/Framework/Algorithms/CMakeLists.txt
index e1d87e3147ecb55158450fe87017bab7c4d98337..1f2012b43cf929298d61f35726dd8eeeeaa2c72e 100644
--- a/Framework/Algorithms/CMakeLists.txt
+++ b/Framework/Algorithms/CMakeLists.txt
@@ -834,7 +834,7 @@ set ( TEST_FILES
HyspecScharpfCorrectionTest.h
IQTransformTest.h
IdentifyNoisyDetectorsTest.h
- IndirectFitDataCreationHelperTest.h
+ IndirectFitDataCreationHelperTest.h
IntegrateByComponentTest.h
IntegrateEPPTest.h
IntegrationTest.h
diff --git a/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp b/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
index 7fe36fceb86154ba2b60ed170d1425651020791a..e5e1909e15c11d95d7718017c7783399d9ef9ce0 100644
--- a/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
+++ b/qt/scientific_interfaces/Indirect/IndirectFitOutput.cpp
@@ -272,10 +272,9 @@ IndirectFitOutput::getResultLocation(IndirectFitData const *fitData,
}
std::vector<std::string> IndirectFitOutput::getResultParameterNames() const {
- if (auto resultWorkspace = getLastResultWorkspace()) {
+ if (auto resultWorkspace = getLastResultWorkspace())
if (auto workspace = getMatrixWorkspaceFromGroup(resultWorkspace, 0))
return getAxisLabels(workspace, 1);
- }
return std::vector<std::string>();
}
diff --git a/qt/scientific_interfaces/Indirect/IndirectFitOutput.h b/qt/scientific_interfaces/Indirect/IndirectFitOutput.h
index 85a8188e4867032dc67fce43565e87f0078bfd9b..c92182711fd7ffea092c7ad2e052d16ddd7caabc 100644
--- a/qt/scientific_interfaces/Indirect/IndirectFitOutput.h
+++ b/qt/scientific_interfaces/Indirect/IndirectFitOutput.h
@@ -9,6 +9,7 @@
#include "IndirectFitData.h"
+#include "DllConfig.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
@@ -49,7 +50,7 @@ using FitDataIterator =
IndirectFitOutput - Stores the output of a QENS fit and provides
convenient access to the output parameters.
*/
-class IndirectFitOutput {
+class MANTIDQT_INDIRECT_DLL IndirectFitOutput {
public:
IndirectFitOutput(Mantid::API::WorkspaceGroup_sptr resultGroup,
Mantid::API::ITableWorkspace_sptr parameterTable,
diff --git a/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h b/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
index 9deab3f4cc1351feafbaeda0e32d787b346cba77..c9f75a4c1a805296157515f759cf6700dc742d8d 100644
--- a/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
+++ b/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
@@ -3,22 +3,53 @@
#include <cxxtest/TestSuite.h>
-#include "IndirectFitOutput.h"
+//#include "IndirectFitOutput.h"
+#include "IndirectFittingModel.h"
#include "MantidAPI/AlgorithmManager.h"
+#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidTestHelpers/IndirectFitDataCreationHelper.h"
-#include <iostream>
-
using namespace Mantid::API;
using namespace Mantid::IndirectFitDataCreationHelper;
using namespace MantidQt::CustomInterfaces::IDA;
namespace {
+MatrixWorkspace_sptr
+createPopulatedworkspace(std::vector<double> const &xValues,
+ std::vector<double> const &yValues,
+ int const numberOfSpectra,
+ std::vector<std::string> const &verticalAxisNames) {
+ auto createWorkspaceAlgorithm =
+ AlgorithmManager::Instance().createUnmanaged("CreateWorkspace");
+ createWorkspaceAlgorithm->initialize();
+ createWorkspaceAlgorithm->setChild(true);
+ createWorkspaceAlgorithm->setLogging(false);
+ createWorkspaceAlgorithm->setProperty("DataX", xValues);
+ createWorkspaceAlgorithm->setProperty("DataY", yValues);
+ createWorkspaceAlgorithm->setProperty("NSpec", numberOfSpectra);
+ createWorkspaceAlgorithm->setProperty("VerticalAxisUnit", "Text");
+ createWorkspaceAlgorithm->setProperty("VerticalAxisValues",
+ verticalAxisNames);
+ createWorkspaceAlgorithm->setProperty("OutputWorkspace", "workspace");
+ createWorkspaceAlgorithm->execute();
+ return createWorkspaceAlgorithm->getProperty("OutputWorkspace");
+}
+
+MatrixWorkspace_sptr
+createPopulatedworkspace(std::size_t const &numberOfSpectra) {
+ std::vector<double> xValues{1.0, 2.0, 3.0, 4.0, 5.0};
+ std::vector<double> yValues{1.0, 2.0, 3.0, 4.0, 5.0};
+ std::vector<std::string> const verticalAxisNames{
+ "Height", "Height_Err", "Msd", "Msd_Err", "Chi_squared"};
+ return createPopulatedworkspace(xValues, yValues, numberOfSpectra,
+ verticalAxisNames);
+}
+
IndirectFitData getIndirectFitData(int const &numberOfSpectra) {
auto const workspace = createWorkspace(numberOfSpectra);
Spectra const spec = std::make_pair(0u, workspace->getNumberHistograms() - 1);
@@ -28,51 +59,67 @@ IndirectFitData getIndirectFitData(int const &numberOfSpectra) {
ITableWorkspace_sptr getEmptyTableWorkspace() {
auto table = WorkspaceFactory::Instance().createTable();
- std::vector<std::string> columnHeadings{"axis-1", "Height", "Height_Err",
- "Msd", "Msd_Err", "Chi_squared"};
+ std::vector<std::string> columnHeadings{"Height", "Height_Err", "Msd",
+ "Msd_Err", "Chi_squared"};
for (auto i = 0u; i < columnHeadings.size(); ++i)
table->addColumn("double", columnHeadings[i]);
return table;
}
-ITableWorkspace_sptr getPopulatedParameterTable(std::size_t const &size) {
+ITableWorkspace_sptr getPopulatedTable(std::size_t const &size) {
auto table = getEmptyTableWorkspace();
for (auto i = 0u; i < size; ++i) {
TableRow row = table->appendRow();
- row << 14.675 << 0.047 << 0.001 << 0.514 << 0.0149 << 5.138;
+ row << 14.675 << 0.047 << 0.001 << 0.514 << 0.0149;
}
return table;
}
-WorkspaceGroup_sptr
-getGroupWorkspaceWithEmptyWorkspaces(std::size_t const &size) {
- WorkspaceGroup_sptr resultWorkspaces = boost::make_shared<WorkspaceGroup>();
+WorkspaceGroup_sptr getPopulatedGroup(std::size_t const &size) {
+ WorkspaceGroup_sptr group = boost::make_shared<WorkspaceGroup>();
for (auto i = 0u; i < size; ++i)
- resultWorkspaces->addWorkspace(createWorkspace(10));
- return resultWorkspaces;
+ group->addWorkspace(createPopulatedworkspace(5));
+ return group;
}
-WorkspaceGroup_sptr getResultWorkspaces(std::size_t const &size) {
- return getGroupWorkspaceWithEmptyWorkspaces(size);
+std::unique_ptr<IndirectFitOutput>
+createFitOutput(WorkspaceGroup_sptr resultGroup,
+ ITableWorkspace_sptr parameterTable,
+ WorkspaceGroup_sptr resultWorkspace, IndirectFitData *fitData,
+ std::size_t spectrum) {
+ return std::make_unique<IndirectFitOutput>(
+ resultGroup, parameterTable, resultWorkspace, fitData, spectrum);
}
-WorkspaceGroup_sptr getResultGroup(std::size_t const &size) {
- return getGroupWorkspaceWithEmptyWorkspaces(size);
+/// Used to create fit output data where the ads is destructed after leaving the
+/// function scope
+std::unique_ptr<IndirectFitOutput> getFitOutputData() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ return createFitOutput(group, table, group, data, 0);
}
-// IndirectFitOutput createFitOutput(WorkspaceGroup_sptr resultGroup,
-// ITableWorkspace_sptr parameterTable,
-// WorkspaceGroup_sptr resultWorkspace,
-// IndirectFitData *fitData,
-// std::size_t &spectrum) {
-// return MantidQt::CustomInterfaces::IDA::IndirectFitOutput(
-// resultGroup, parameterTable, resultWorkspace, fitData, spectrum);
-//}
+std::unordered_map<std::string, std::string>
+getNewParameterNames(std::vector<std::string> const ¤tNames) {
+ std::unordered_map<std::string, std::string> newParameterNames;
+ newParameterNames[currentNames[0]] = "Width_Err";
+ newParameterNames[currentNames[1]] = "MSD_Err";
+ return newParameterNames;
+}
} // namespace
class IndirectFitOutputTest : public CxxTest::TestSuite {
public:
+ /// WorkflowAlgorithms do not appear in the FrameworkManager without this line
+ IndirectFitOutputTest() { FrameworkManager::Instance(); }
+
static IndirectFitOutputTest *createSuite() {
return new IndirectFitOutputTest();
}
@@ -81,28 +128,203 @@ public:
void
test_that_IndirectFitOutput_constructor_will_set_the_values_of_the_output_data() {
- auto resultGroup = getResultGroup(2);
- auto resultWorkspaces = getResultWorkspaces(2);
- auto parameterTable = getPopulatedParameterTable(2);
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
- std::size_t spectrum = 0;
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
- IndirectFitOutput outputData(resultGroup, parameterTable, resultWorkspaces,
- data, spectrum);
+ auto const output = createFitOutput(group, table, group, data, 0);
- // auto const fitOutput = createFitOutput(resultGroup, parameterTable,
- // resultWorkspaces, data, spectrum);
+ TS_ASSERT(output->getLastResultGroup());
+ TS_ASSERT(output->getLastResultWorkspace());
+ TS_ASSERT_EQUALS(output->getLastResultGroup()->getNumberOfEntries(), 2);
+ TS_ASSERT_EQUALS(output->getLastResultWorkspace()->getNumberOfEntries(), 2);
+ TS_ASSERT_EQUALS(output->getResultParameterNames().size(), 5);
+ }
+
+ void
+ test_that_the_group_workspaces_stored_are_equal_to_the_workspaces_inputed() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ TS_ASSERT_EQUALS(output->getLastResultGroup(), group);
+ TS_ASSERT_EQUALS(output->getLastResultWorkspace(), group);
}
void
test_that_isSpectrumFit_returns_false_if_the_spectrum_has_not_been_previously_fit() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ TS_ASSERT(!output->isSpectrumFit(data, 7));
}
void
test_that_isSpectrumFit_returns_true_if_the_spectrum_has_been_previously_fit() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ TS_ASSERT(output->isSpectrumFit(data, 0));
+ }
+
+ void
+ test_that_getParameters_returns_an_empty_map_when_the_spectrum_number_provided_is_out_of_range() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ TS_ASSERT(output->getParameters(data, 7).empty());
+ }
+
+ void
+ test_that_getParameters_returns_the_correct_parameter_values_when_the_spectrum_number_and_IndirectFitData_provided_is_valid() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ auto const parameters = output->getParameters(data, 0);
+ TS_ASSERT_EQUALS(parameters.size(), 2);
+ TS_ASSERT_EQUALS(parameters.at("Height_Err").value, 0.047);
+ TS_ASSERT_EQUALS(parameters.at("Msd_Err").value, 0.514);
+ }
+
+ void
+ test_that_getResultLocation_returns_none_when_the_spectrum_number_provided_is_out_of_range() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ TS_ASSERT(!output->getResultLocation(data, 7));
+ }
+
+ void
+ test_that_getResultLocation_returns_the_ResultLocation_when_the_spectrum_number_and_IndirectFitData_provided_is_valid() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ auto const resultLocation = output->getResultLocation(data, 0);
+ TS_ASSERT(resultLocation);
+ TS_ASSERT_EQUALS(resultLocation->result.lock(), group);
}
- void test_test() { std::cout << "Hello"; }
+ void
+ test_that_getResultParameterNames_gets_the_parameter_names_which_were_provided_as_input_data() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+ std::vector<std::string> const expectedParameters{
+ "Height", "Height_Err", "Msd", "Msd_Err", "Chi_squared"};
+ auto const parameters = output->getResultParameterNames();
+
+ TS_ASSERT_EQUALS(parameters.size(), 5);
+ for (auto i = 0u; i < parameters.size(); ++i)
+ TS_ASSERT_EQUALS(parameters[i], expectedParameters[i]);
+ }
+
+ void
+ test_that_getResultParameterNames_returns_an_empty_vector_if_the_result_workspace_cannot_be_found() {
+ /// The fact that the result workspace has been removed from the ADS is used
+ /// here. This means the result workspace won't be available any longer.
+ auto const output = getFitOutputData();
+ TS_ASSERT(output->getResultParameterNames().empty());
+ }
+
+ void
+ test_that_mapParameterNames_will_remap_the_parameters_to_correspond_to_the_provided_parameter_names() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+ auto const newParameterNames =
+ getNewParameterNames({"Height_Err", "Msd_Err"});
+ output->mapParameterNames(newParameterNames, data);
+
+ auto const parameters = output->getParameters(data, 0);
+ TS_ASSERT_EQUALS(parameters.size(), 2);
+ TS_ASSERT_EQUALS(parameters.at("Width_Err").value, 0.047);
+ TS_ASSERT_EQUALS(parameters.at("MSD_Err").value, 0.514);
+ }
+
+ void
+ test_that_mapParameterNames_will_not_remap_the_parameters_when_the_provided_old_parameter_names_do_not_exist() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+ auto const newParameterNames = getNewParameterNames({"None1", "None2"});
+ output->mapParameterNames(newParameterNames, data);
+
+ auto const parameters = output->getParameters(data, 0);
+ TS_ASSERT(parameters.at("Height_Err").value);
+ TS_ASSERT(parameters.at("Msd_Err").value);
+ }
+
+ void test_that_removeOutput_will_erase_the_provided_fitData() {
+ auto const group = getPopulatedGroup(2);
+ auto const table = getPopulatedTable(2);
+ IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+
+ auto const output = createFitOutput(group, table, group, data, 0);
+
+ output->removeOutput(data);
+ }
};
#endif