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Add option to save to file
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You can now either have an output workspace, or save to a file, or both.
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@jclarkeSTFC
jclarkeSTFC committed May 2, 2024
1 parent 2d718ea commit 4eba049
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Showing 3 changed files with 88 additions and 7 deletions.
1 change: 1 addition & 0 deletions Framework/Algorithms/inc/MantidAlgorithms/PolarizationCorrections/PolarizerEfficiency.h
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Expand Up @@ -39,6 +39,7 @@ class MANTID_ALGORITHMS_DLL PolarizerEfficiency final : public API::Algorithm {
void validateGroupInput();
void calculatePolarizerEfficiency();
MatrixWorkspace_sptr convertToHistIfNecessary(const MatrixWorkspace_sptr ws);
void PolarizerEfficiency::saveToFile(MatrixWorkspace_sptr const &workspace, std::string const &filePathStr);
};

} // namespace Algorithms
Expand Down
45 changes: 41 additions & 4 deletions Framework/Algorithms/src/PolarizationCorrections/PolarizerEfficiency.cpp
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Expand Up @@ -7,6 +7,7 @@

#include "MantidAlgorithms/PolarizationCorrections/PolarizerEfficiency.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/HistogramValidator.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
Expand All @@ -18,6 +19,7 @@
#include "MantidKernel/ListValidator.h"

#include <boost/algorithm/string/join.hpp>
#include <filesystem>

namespace Mantid::Algorithms {
// Register the algorithm into the algorithm factory
Expand All @@ -31,6 +33,7 @@ static const std::string INPUT_WORKSPACE = "InputWorkspace";
static const std::string ANALYSER_EFFICIENCY = "AnalyserEfficiency";
static const std::string SPIN_STATES = "SpinStates";
static const std::string OUTPUT_WORKSPACE = "OutputWorkspace";
static const std::string OUTPUT_FILE_PATH = "OutputFilePath";
} // namespace PropertyNames

void PolarizerEfficiency::init() {
Expand All @@ -45,13 +48,16 @@ void PolarizerEfficiency::init() {
declareProperty(std::make_unique<WorkspaceProperty<MatrixWorkspace>>(PropertyNames::ANALYSER_EFFICIENCY, "",
Direction::Input, wavelengthValidator),
"Analyser efficiency as a function of wavelength");
declareProperty(
std::make_unique<WorkspaceProperty<MatrixWorkspace>>(PropertyNames::OUTPUT_WORKSPACE, "", Direction::Output),
"Polarizer efficiency as a function of wavelength");
declareProperty(std::make_unique<WorkspaceProperty<MatrixWorkspace>>(PropertyNames::OUTPUT_WORKSPACE, "",
Direction::Output, PropertyMode::Optional),
"Polarizer efficiency as a function of wavelength");

const auto &spinValidator = std::make_shared<SpinStateValidator>(std::unordered_set<int>{4});
declareProperty(PropertyNames::SPIN_STATES, "11,10,01,00", spinValidator,
"Order of individual spin states in the input group workspace, e.g. \"01,11,00,10\"");

declareProperty(std::make_unique<FileProperty>(PropertyNames::OUTPUT_FILE_PATH, "", FileProperty::OptionalSave),
"File name or path for the output to be saved to.");
}

/**
Expand All @@ -78,6 +84,14 @@ std::map<std::string, std::string> PolarizerEfficiency::validateInputs() {
}
}

// Check outputs.
auto const &outputWs = getPropertyValue(PropertyNames::OUTPUT_WORKSPACE);
auto const &outputFile = getPropertyValue(PropertyNames::OUTPUT_FILE_PATH);
if (outputWs.empty() && outputFile.empty()) {
errorList[PropertyNames::OUTPUT_FILE_PATH] = "Either an output workspace or output file must be provided.";
errorList[PropertyNames::OUTPUT_WORKSPACE] = "Either an output workspace or output file must be provided.";
}

return errorList;
}

Expand Down Expand Up @@ -124,7 +138,30 @@ void PolarizerEfficiency::calculatePolarizerEfficiency() {
effCell = rebin->getProperty("OutputWorkspace");

const auto &effPolarizer = (t00Ws - t01Ws) / (4 * (2 * effCell - 1) * (t00Ws + t01Ws)) + 0.5;
setProperty(PropertyNames::OUTPUT_WORKSPACE, effPolarizer);

auto const &filename = getPropertyValue(PropertyNames::OUTPUT_FILE_PATH);
if (!filename.empty()) {
saveToFile(effPolarizer, filename);
}

auto const &outputWsName = getPropertyValue(PropertyNames::OUTPUT_WORKSPACE);
if (!outputWsName.empty()) {
setProperty(PropertyNames::OUTPUT_WORKSPACE, effPolarizer);
}
}

void PolarizerEfficiency::saveToFile(MatrixWorkspace_sptr const &workspace, std::string const &filePathStr) {
std::filesystem::path filePath = filePathStr;
// Add the nexus extension if it's not been applied already.
const std::string fileExtension = ".nxs";
if (filePath.extension() != fileExtension) {
filePath.replace_extension(fileExtension);
}
auto saveAlg = createChildAlgorithm("SaveNexus");
saveAlg->initialize();
saveAlg->setProperty("Filename", filePath.string());
saveAlg->setProperty("InputWorkspace", workspace);
saveAlg->execute();
}

MatrixWorkspace_sptr PolarizerEfficiency::convertToHistIfNecessary(const MatrixWorkspace_sptr ws) {
Expand Down
49 changes: 46 additions & 3 deletions Framework/Algorithms/test/PolarizationCorrections/PolarizerEfficiencyTest.h
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Expand Up @@ -10,8 +10,10 @@
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAlgorithms/PolarizationCorrections/PolarizerEfficiency.h"
#include "MantidKernel/ConfigService.h"

#include <cxxtest/TestSuite.h>
#include <filesystem>

using namespace Mantid;
using namespace Mantid::Algorithms;
Expand All @@ -22,9 +24,13 @@ class PolarizerEfficiencyTest : public CxxTest::TestSuite {
void setUp() override {
// Use an analyser efficiency of 1 to make test calculations simpler
generateFunctionDefinedWorkspace(ANALYSER_EFFICIENCY_WS_NAME, "1 + x*0");
m_defaultSaveDirectory = Kernel::ConfigService::Instance().getString("defaultsave.directory");
}

void tearDown() override { AnalysisDataService::Instance().clear(); }
void tearDown() override {
AnalysisDataService::Instance().clear();
Kernel::ConfigService::Instance().setString("defaultsave.directory", m_defaultSaveDirectory);
}

void testName() {
PolarizerEfficiency alg;
Expand Down Expand Up @@ -120,8 +126,42 @@ class PolarizerEfficiencyTest : public CxxTest::TestSuite {
}
}

/// Saving Tests

void testSavingAbsolute() {
auto const temp_filename = std::filesystem::temp_directory_path() /= "something.nxs";
auto polarizerEfficiency = createPolarizerEfficiencyAlgorithm(createExampleGroupWorkspace("wsGrp"), false);
polarizerEfficiency->setPropertyValue("OutputFilePath", temp_filename.string());
polarizerEfficiency->execute();
TS_ASSERT(std::filesystem::exists(temp_filename))
std::filesystem::remove(temp_filename);
}

void testSavingRelative() {
auto tempDir = std::filesystem::temp_directory_path();
Kernel::ConfigService::Instance().setString("defaultsave.directory", tempDir.string());
std::string const &filename = "something.nxs";
auto polarizerEfficiency = createPolarizerEfficiencyAlgorithm();
polarizerEfficiency->setPropertyValue("OutputFilePath", filename);
polarizerEfficiency->execute();
auto savedPath = tempDir /= filename;
TS_ASSERT(std::filesystem::exists(savedPath))
std::filesystem::remove(savedPath);
}

void testSavingNoExt() {
auto const temp_filename = std::filesystem::temp_directory_path() /= "something";
auto polarizerEfficiency = createPolarizerEfficiencyAlgorithm();
polarizerEfficiency->setPropertyValue("OutputFilePath", temp_filename.string());
polarizerEfficiency->execute();
auto savedPath = temp_filename.string() + ".nxs";
TS_ASSERT(std::filesystem::exists(savedPath))
std::filesystem::remove(savedPath);
}

private:
const std::string ANALYSER_EFFICIENCY_WS_NAME = "effAnalyser";
std::string m_defaultSaveDirectory;

WorkspaceGroup_sptr createExampleGroupWorkspace(const std::string &name, const std::string &xUnit = "Wavelength",
const size_t numBins = 5) {
Expand Down Expand Up @@ -206,15 +246,18 @@ class PolarizerEfficiencyTest : public CxxTest::TestSuite {
return result;
}

IAlgorithm_sptr createPolarizerEfficiencyAlgorithm(WorkspaceGroup_sptr inputGrp = nullptr) {
IAlgorithm_sptr createPolarizerEfficiencyAlgorithm(WorkspaceGroup_sptr inputGrp = nullptr,
const bool setOutputWs = true) {
if (inputGrp == nullptr) {
inputGrp = createExampleGroupWorkspace("wsGrp");
}
auto polarizerEfficiency = AlgorithmManager::Instance().create("PolarizerEfficiency");
polarizerEfficiency->initialize();
polarizerEfficiency->setProperty("InputWorkspace", inputGrp->getName());
polarizerEfficiency->setProperty("AnalyserEfficiency", ANALYSER_EFFICIENCY_WS_NAME);
polarizerEfficiency->setProperty("OutputWorkspace", "psm");
if (setOutputWs) {
polarizerEfficiency->setProperty("OutputWorkspace", "psm");
}
return polarizerEfficiency;
}
};

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