From 5e2ba22d8bb09a6c1f8045fd433098dfe5cd1f63 Mon Sep 17 00:00:00 2001
From: Robert Applin <40830825+robertapplin@users.noreply.github.com>
Date: Wed, 17 Oct 2018 09:50:24 +0100
Subject: [PATCH] Refs #23463. Finish IndirectFitPlotModel tests and tidy
---
.../test/IndirectFitDataCreationHelperTest.h | 2 +
.../IndirectFitDataCreationHelper.h | 34 +----
.../Indirect/IndirectFitPlotModel.cpp | 2 +-
.../Indirect/test/IndirectFitDataTest.h | 2 +
.../Indirect/test/IndirectFitOutputTest.h | 43 +++----
.../Indirect/test/IndirectFitPlotModelTest.h | 118 ++++++++++++++----
.../Indirect/test/IndirectFittingModelTest.h | 11 +-
7 files changed, 121 insertions(+), 91 deletions(-)
diff --git a/Framework/Algorithms/test/IndirectFitDataCreationHelperTest.h b/Framework/Algorithms/test/IndirectFitDataCreationHelperTest.h
index bf52c1ba5b4..2228fff9c6d 100644
--- a/Framework/Algorithms/test/IndirectFitDataCreationHelperTest.h
+++ b/Framework/Algorithms/test/IndirectFitDataCreationHelperTest.h
@@ -61,6 +61,8 @@ public:
delete suite;
}
+ void tearDown() override { AnalysisDataService::Instance().clear(); }
+
void
test_that_createWorkspace_returns_a_workspace_with_the_number_of_spectra_specified() {
auto const workspace = createWorkspace(10);
diff --git a/Framework/TestHelpers/inc/MantidTestHelpers/IndirectFitDataCreationHelper.h b/Framework/TestHelpers/inc/MantidTestHelpers/IndirectFitDataCreationHelper.h
index f1d50a61b31..961b4f5a339 100644
--- a/Framework/TestHelpers/inc/MantidTestHelpers/IndirectFitDataCreationHelper.h
+++ b/Framework/TestHelpers/inc/MantidTestHelpers/IndirectFitDataCreationHelper.h
@@ -31,7 +31,8 @@ setWorkspaceProperties(Mantid::API::MatrixWorkspace_sptr workspace,
Mantid::API::MatrixWorkspace_sptr
createWorkspaceWithInstrument(int const &xLength, int const &yLength);
-/// Simple struct to set up the ADS with the configuration required
+/// Simple struct used to access features of the ADS
+/// No destructor so ensure you tearDown the ADS
struct SetUpADSWithWorkspace {
template <typename T>
@@ -56,37 +57,6 @@ struct SetUpADSWithWorkspace {
return boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
Mantid::API::AnalysisDataService::Instance().retrieve(workspaceName));
}
-
- ~SetUpADSWithWorkspace() {
- Mantid::API::AnalysisDataService::Instance().clear();
- }
-};
-
-/// This struct gives the option of having an ADS instance with no destructor
-struct SetUpADSWithNoDestructor {
-
- template <typename T>
- SetUpADSWithNoDestructor(std::string const &inputWSName, T const &workspace) {
- Mantid::API::AnalysisDataService::Instance().addOrReplace(inputWSName,
- workspace);
- }
-
- template <typename T>
- void addOrReplace(std::string const &workspaceName, T const &workspace) {
- Mantid::API::AnalysisDataService::Instance().addOrReplace(workspaceName,
- workspace);
- }
-
- bool doesExist(std::string const &workspaceName) {
- return Mantid::API::AnalysisDataService::Instance().doesExist(
- workspaceName);
- }
-
- Mantid::API::MatrixWorkspace_sptr
- retrieveWorkspace(std::string const &workspaceName) {
- return boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
- Mantid::API::AnalysisDataService::Instance().retrieve(workspaceName));
- }
};
/// This is used to compare Spectra which is implemented as a boost::variant
diff --git a/qt/scientific_interfaces/Indirect/IndirectFitPlotModel.cpp b/qt/scientific_interfaces/Indirect/IndirectFitPlotModel.cpp
index d26fb27a14d..634c668f122 100644
--- a/qt/scientific_interfaces/Indirect/IndirectFitPlotModel.cpp
+++ b/qt/scientific_interfaces/Indirect/IndirectFitPlotModel.cpp
@@ -17,7 +17,7 @@
namespace {
using namespace Mantid::API;
-// The name of the conjoined input and guess name -- required for
+// The name of the conjoined input and guess workspaces -- required for
// creating an external guess plot.
const std::string INPUT_AND_GUESS_NAME = "__QENSInputAndGuess";
diff --git a/qt/scientific_interfaces/Indirect/test/IndirectFitDataTest.h b/qt/scientific_interfaces/Indirect/test/IndirectFitDataTest.h
index 11a6383bc9e..68348bf5035 100644
--- a/qt/scientific_interfaces/Indirect/test/IndirectFitDataTest.h
+++ b/qt/scientific_interfaces/Indirect/test/IndirectFitDataTest.h
@@ -36,6 +36,8 @@ public:
static void destroySuite(IndirectFitDataTest *suite) { delete suite; }
+ void tearDown() override { AnalysisDataService::Instance().clear(); }
+
void test_data_is_instantiated() {
auto const workspace = createWorkspace(1);
Spectra const spec =
diff --git a/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h b/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
index 1d26559a2cb..2e53b496b19 100644
--- a/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
+++ b/qt/scientific_interfaces/Indirect/test/IndirectFitOutputTest.h
@@ -80,6 +80,14 @@ WorkspaceGroup_sptr getPopulatedGroup(std::size_t const &size) {
return group;
}
+/// Store workspaces in ADS and won't destruct the ADS when leaving scope
+void storeWorkspacesInADS(WorkspaceGroup_sptr group,
+ ITableWorkspace_sptr table) {
+ SetUpADSWithWorkspace ads("ResultGroup", group);
+ ads.addOrReplace("ResultWorkspaces", group);
+ ads.addOrReplace("ParameterTable", table);
+}
+
std::unique_ptr<IndirectFitOutput>
createFitOutput(WorkspaceGroup_sptr resultGroup,
ITableWorkspace_sptr parameterTable,
@@ -89,41 +97,17 @@ createFitOutput(WorkspaceGroup_sptr resultGroup,
resultGroup, parameterTable, resultWorkspace, fitData, spectrum);
}
-/// Used to create fit output data where the ads is destructed after leaving the
-/// function scope
-std::unique_ptr<IndirectFitOutput> getDestructedFitOutputData() {
- 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);
-}
-
/// This will return fit output with workspaces still stored in the ADS
std::unique_ptr<IndirectFitOutput> getFitOutputData() {
auto const group = getPopulatedGroup(2);
auto const table = getPopulatedTable(2);
IndirectFitData *data = new IndirectFitData(getIndirectFitData(5));
- SetUpADSWithNoDestructor ads("ResultGroup", group);
- ads.addOrReplace("ResultWorkspaces", group);
- ads.addOrReplace("ParameterTable", table);
+ storeWorkspacesInADS(group, table);
return createFitOutput(group, table, group, data, 0);
}
-/// Store workspaces in ADS and won't destruct the ADS when leaving scope
-void storeWorkspacesInADS(WorkspaceGroup_sptr group,
- ITableWorkspace_sptr table) {
- SetUpADSWithNoDestructor ads("ResultGroup", group);
- ads.addOrReplace("ResultWorkspaces", group);
- ads.addOrReplace("ParameterTable", table);
-}
-
std::unordered_map<std::string, std::string>
getNewParameterNames(std::vector<std::string> const ¤tNames) {
std::unordered_map<std::string, std::string> newParameterNames;
@@ -267,9 +251,12 @@ public:
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 = getDestructedFitOutputData();
+ /// The fact that the result workspace has been removed from the ADS means
+ /// the parameter names won't be available any longer.
+ auto const output = getFitOutputData();
+
+ AnalysisDataService::Instance().clear();
+
TS_ASSERT(output->getResultParameterNames().empty());
}
diff --git a/qt/scientific_interfaces/Indirect/test/IndirectFitPlotModelTest.h b/qt/scientific_interfaces/Indirect/test/IndirectFitPlotModelTest.h
index 57c55c1ab93..a5963077023 100644
--- a/qt/scientific_interfaces/Indirect/test/IndirectFitPlotModelTest.h
+++ b/qt/scientific_interfaces/Indirect/test/IndirectFitPlotModelTest.h
@@ -21,13 +21,16 @@ using ConvolutionFitSequential =
namespace {
+/// The name of the conjoined input and guess workspaces
+std::string const INPUT_AND_GUESS_NAME = "__QENSInputAndGuess";
+
std::string getFittingFunctionString(std::string const &workspaceName) {
return "name=LinearBackground,A0=0,A1=0,ties=(A0=0.000000,A1=0.0);"
"(composite=Convolution,FixResolution=true,NumDeriv=true;"
"name=Resolution,Workspace=" +
workspaceName +
",WorkspaceIndex=0;((composite=ProductFunction,NumDeriv="
- "false;name=Lorentzian,Amplitude=1,PeakCentre=0,FWHM=0."
+ "false;name=Lorentzian,Amplitude=1,PeakCentre=1,FWHM=0."
"0175)))";
}
@@ -54,19 +57,23 @@ private:
};
void setFittingFunction(IndirectFittingModel *model,
- std::string const &functionString) {
- model->setFitFunction(getFunction(functionString));
+ std::string const &functionString,
+ bool setFitFunction) {
+ if (setFitFunction)
+ model->setFitFunction(getFunction(functionString));
}
IndirectFittingModel *getEmptyDummyModel() { return new DummyModel(); }
IndirectFittingModel *
createModelWithSingleWorkspace(std::string const &workspaceName,
- int const &numberOfSpectra) {
+ int const &numberOfSpectra,
+ bool setFitFunction) {
auto model = getEmptyDummyModel();
- SetUpADSWithNoDestructor ads(workspaceName, createWorkspace(numberOfSpectra));
+ SetUpADSWithWorkspace ads(workspaceName, createWorkspace(numberOfSpectra));
model->addWorkspace(workspaceName);
- setFittingFunction(model, getFittingFunctionString(workspaceName));
+ setFittingFunction(model, getFittingFunctionString(workspaceName),
+ setFitFunction);
return model;
}
@@ -80,17 +87,17 @@ template <typename Name, typename... Names>
void addWorkspacesToModel(IndirectFittingModel *model,
int const &numberOfSpectra, Name const &workspaceName,
Names const &... workspaceNames) {
- SetUpADSWithNoDestructor ads(workspaceName, createWorkspace(numberOfSpectra));
+ SetUpADSWithWorkspace ads(workspaceName, createWorkspace(numberOfSpectra));
model->addWorkspace(workspaceName);
addWorkspacesToModel(model, numberOfSpectra, workspaceNames...);
}
template <typename Name, typename... Names>
-IndirectFittingModel *
-createModelWithMultipleWorkspaces(int const &numberOfSpectra,
- Name const &workspaceName,
- Names const &... workspaceNames) {
- auto model = createModelWithSingleWorkspace(workspaceName, numberOfSpectra);
+IndirectFittingModel *createModelWithMultipleWorkspaces(
+ int const &numberOfSpectra, bool setFitFunction, Name const &workspaceName,
+ Names const &... workspaceNames) {
+ auto model = createModelWithSingleWorkspace(workspaceName, numberOfSpectra,
+ setFitFunction);
addWorkspacesToModel(model, numberOfSpectra, workspaceNames...);
return model;
}
@@ -98,8 +105,8 @@ createModelWithMultipleWorkspaces(int const &numberOfSpectra,
IndirectFittingModel *createModelWithSingleInstrumentWorkspace(
std::string const &workspaceName, int const &xLength, int const &yLength) {
auto model = getEmptyDummyModel();
- SetUpADSWithNoDestructor ads(workspaceName,
- createWorkspaceWithInstrument(xLength, yLength));
+ SetUpADSWithWorkspace ads(workspaceName,
+ createWorkspaceWithInstrument(xLength, yLength));
model->addWorkspace(workspaceName);
return model;
}
@@ -125,7 +132,7 @@ IAlgorithm_sptr setupFitAlgorithm(MatrixWorkspace_sptr workspace,
IAlgorithm_sptr getSetupFitAlgorithm(IndirectFittingModel *model,
MatrixWorkspace_sptr workspace,
std::string const &workspaceName) {
- setFittingFunction(model, getFittingFunctionString(workspaceName));
+ setFittingFunction(model, getFittingFunctionString(workspaceName), true);
auto alg =
setupFitAlgorithm(workspace, getFittingFunctionString(workspaceName));
return alg;
@@ -142,16 +149,15 @@ IAlgorithm_sptr getExecutedFitAlgorithm(IndirectFittingModel *model,
IndirectFittingModel *getModelWithFitOutputData() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithNoDestructor ads("__ConvFit", modelWorkspace);
auto const alg = getExecutedFitAlgorithm(model, modelWorkspace, "__ConvFit");
model->addOutput(alg);
return model;
}
-IndirectFitPlotModel getFitPlotModel() {
- return IndirectFitPlotModel(
- createModelWithMultipleWorkspaces(10, "Workspace1", "Workspace2"));
+IndirectFitPlotModel getFitPlotModel(bool setFitFunction = true) {
+ return IndirectFitPlotModel(createModelWithMultipleWorkspaces(
+ 10, setFitFunction, "Workspace1", "Workspace2"));
}
IndirectFitPlotModel getFitPlotModelWithFitData() {
@@ -225,7 +231,7 @@ public:
auto const resultWorkspace = model.appendGuessToInput(guess);
- TS_ASSERT(AnalysisDataService::Instance().doesExist("__QENSInputAndGuess"));
+ TS_ASSERT(AnalysisDataService::Instance().doesExist(INPUT_AND_GUESS_NAME));
TS_ASSERT_EQUALS(resultWorkspace->getAxis(1)->label(0), "Sample");
TS_ASSERT_EQUALS(resultWorkspace->getAxis(1)->label(1), "Guess");
/// Only two spectra because the guessWorkspace will only ever have one
@@ -328,7 +334,7 @@ public:
void
test_that_getFirstPeakCentre_returns_the_value_of_the_first_PeakCentre_in_the_fitting_function() {
auto const model = getFitPlotModel();
- TS_ASSERT_EQUALS(model.getFirstPeakCentre(), 0.0);
+ TS_ASSERT_EQUALS(model.getFirstPeakCentre(), 1.0);
}
void
@@ -336,6 +342,76 @@ public:
auto const model = getFitPlotModel();
TS_ASSERT_EQUALS(model.getFirstBackgroundLevel(), 0.0);
}
+
+ void test_that_calculateHWHMMaximum_returns_the_value_expected() {
+ auto const model = getFitPlotModel();
+
+ auto const hwhm = model.getFirstHWHM();
+ auto const peakCentre = model.getFirstPeakCentre().get_value_or(0.);
+
+ auto const minimum = peakCentre + *hwhm;
+ TS_ASSERT_EQUALS(model.calculateHWHMMaximum(minimum), 0.99125);
+ }
+
+ void test_that_calculateHWHMMinimum_returns_the_value_expected() {
+ auto const model = getFitPlotModel();
+
+ auto const hwhm = model.getFirstHWHM();
+ auto const peakCentre = model.getFirstPeakCentre().get_value_or(0.);
+
+ auto const maximum = peakCentre - *hwhm;
+ TS_ASSERT_EQUALS(model.calculateHWHMMinimum(maximum), 1.00875);
+ }
+
+ void
+ test_that_canCalculateGuess_returns_false_when_there_is_no_fitting_function() {
+ auto const model = getFitPlotModel(false);
+ TS_ASSERT(!model.canCalculateGuess());
+ }
+
+ void
+ test_that_canCalculateGuess_returns_true_when_there_is_a_fitting_function_and_a_model_with_a_workspace() {
+ auto const model = getFitPlotModel();
+ TS_ASSERT(model.canCalculateGuess());
+ }
+
+ void
+ test_that_setFWHM_will_change_the_value_of_the_FWHM_in_the_fitting_function() {
+ auto model = getFitPlotModel();
+
+ auto const fwhm = 1.1;
+ model.setFWHM(fwhm);
+
+ TS_ASSERT_EQUALS(model.getFirstHWHM(), fwhm / 2);
+ }
+
+ void
+ test_that_setBackground_will_change_the_value_of_A0_in_the_fitting_function() {
+ auto model = getFitPlotModel();
+
+ auto const background = 0.12;
+ model.setBackground(background);
+
+ TS_ASSERT_EQUALS(model.getFirstBackgroundLevel(), background);
+ }
+
+ void
+ test_that_deleteExternalGuessWorkspace_removes_the_guess_workspace_from_the_ADS() {
+ auto model = getFitPlotModel();
+
+ auto const guess = model.getGuessWorkspace();
+ (void)model.appendGuessToInput(guess);
+
+ TS_ASSERT(AnalysisDataService::Instance().doesExist(INPUT_AND_GUESS_NAME));
+ model.deleteExternalGuessWorkspace();
+ TS_ASSERT(!AnalysisDataService::Instance().doesExist(INPUT_AND_GUESS_NAME));
+ }
+
+ void
+ test_that_deleteExternalGuessWorkspace_does_not_throw_if_the_guess_workspace_does_not_exist() {
+ auto model = getFitPlotModel();
+ TS_ASSERT_THROWS_NOTHING(model.deleteExternalGuessWorkspace());
+ }
};
#endif
diff --git a/qt/scientific_interfaces/Indirect/test/IndirectFittingModelTest.h b/qt/scientific_interfaces/Indirect/test/IndirectFittingModelTest.h
index 88f0af15bbf..b4bb2f333fc 100644
--- a/qt/scientific_interfaces/Indirect/test/IndirectFittingModelTest.h
+++ b/qt/scientific_interfaces/Indirect/test/IndirectFittingModelTest.h
@@ -140,7 +140,6 @@ IAlgorithm_sptr getExecutedFitAlgorithm(std::unique_ptr<DummyModel> &model,
std::unique_ptr<DummyModel> getModelWithFitOutputData() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("__ConvFit", modelWorkspace);
auto const alg = getExecutedFitAlgorithm(model, modelWorkspace, "__ConvFit");
model->addOutput(alg);
@@ -160,6 +159,8 @@ public:
static void destroySuite(IndirectFittingModelTest *suite) { delete suite; }
+ void tearDown() override { AnalysisDataService::Instance().clear(); }
+
void test_model_is_instantiated_correctly() {
auto model = createModelWithSingleWorkspace("WorkspaceName", 3);
@@ -399,7 +400,6 @@ public:
void test_that_ConvolutionSequentialFit_algorithm_initializes() {
auto model = createModelWithSingleInstrumentWorkspace("Name", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("Name", modelWorkspace);
auto const alg = getSetupFitAlgorithm(model, modelWorkspace, "Name");
@@ -409,7 +409,6 @@ public:
void test_that_ConvolutionSequentialFit_algorithm_executes_without_error() {
auto model = createModelWithSingleInstrumentWorkspace("Name", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("Name", modelWorkspace);
auto const alg = getSetupFitAlgorithm(model, modelWorkspace, "Name");
@@ -420,7 +419,6 @@ public:
void test_that_addOutput_adds_the_output_of_a_fit_into_the_model() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("__ConvFit", modelWorkspace);
auto const alg =
getExecutedFitAlgorithm(model, modelWorkspace, "__ConvFit");
@@ -477,7 +475,6 @@ public:
void test_isInvalidFunction_returns_none_if_the_activeFunction_is_valid() {
auto model = createModelWithSingleInstrumentWorkspace("Name", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("Name", modelWorkspace);
(void)getSetupFitAlgorithm(model, modelWorkspace, "Name");
@@ -513,7 +510,6 @@ public:
test_that_getFitParameterNames_returns_a_vector_of_fit_parameters_if_the_fitOutput_contains_parameters() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("__ConvFit", modelWorkspace);
auto const alg =
getExecutedFitAlgorithm(model, modelWorkspace, "__ConvFit");
@@ -619,7 +615,6 @@ public:
test_that_setDefaultParameterValue_will_set_the_value_of_the_provided_parameter() {
auto model = createModelWithSingleWorkspace("Name", 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("Name", modelWorkspace);
(void)getSetupFitAlgorithm(model, modelWorkspace, "Name");
model->setDefaultParameterValue("Amplitude", 1.5, 0);
@@ -638,7 +633,6 @@ public:
test_that_getParameterValues_returns_the_default_parameters_if_there_are_no_fit_parameters() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("__ConvFit", modelWorkspace);
(void)getSetupFitAlgorithm(model, modelWorkspace, "__ConvFit");
model->setDefaultParameterValue("Amplitude", 1.5, 0);
@@ -660,7 +654,6 @@ public:
void test_getFitParameters_returns_an_empty_map_when_there_is_no_fitOutput() {
auto model = createModelWithSingleInstrumentWorkspace("__ConvFit", 6, 5);
auto const modelWorkspace = model->getWorkspace(0);
- SetUpADSWithWorkspace ads("__ConvFit", modelWorkspace);
(void)getSetupFitAlgorithm(model, modelWorkspace, "__ConvFit");
--
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