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Commit 10e8512d authored by Harriet Brown's avatar Harriet Brown
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Fix incorrect variable names

parent ce956cc1
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......@@ -153,16 +153,16 @@ void CalculatePlaczekSelfScattering::exec() {
nSpec += 1;
}
}
Mantid::API::Algorithm_sptr ChildAlg =
Mantid::API::Algorithm_sptr childAlg =
createChildAlgorithm("CreateWorkspace");
ChildAlg->setProperty("DataX", xLambdas);
ChildAlg->setProperty("DataY", placzekCorrection);
ChildAlg->setProperty("UnitX", "Wavelength");
ChildAlg->setProperty("NSpec", nSpec);
ChildAlg->setProperty("ParentWorkspace", inWS);
ChildAlg->setProperty("Distribution", true);
ChildAlg->execute();
outWS = ChildAlg->getProperty("OutputWorkspace");
childAlg->setProperty("DataX", xLambdas);
childAlg->setProperty("DataY", placzekCorrection);
childAlg->setProperty("UnitX", "Wavelength");
childAlg->setProperty("NSpec", nSpec);
childAlg->setProperty("ParentWorkspace", inWS);
childAlg->setProperty("Distribution", true);
childAlg->execute();
outWS = childAlg->getProperty("OutputWorkspace");
setProperty("OutputWorkspace", outWS);
}
......
......@@ -26,19 +26,19 @@ using Mantid::MantidVec;
// generate incident spectrum data
std::vector<double>
generate_incident_spectrum(const Mantid::HistogramData::HistogramX &lambda,
double phi_max = 6324.0, double phi_epi = 786.0,
double alpha = 0.099, double lambda_1 = 0.67143,
double lambda_2 = 0.06075, double lambda_T = 1.58) {
generateIncidentSpectrum(const Mantid::HistogramData::HistogramX &lambda,
double phiMax = 6324.0, double phiEpi = 786.0,
double alpha = 0.099, double lambda1 = 0.67143,
double lambda2 = 0.06075, double lambdaT = 1.58) {
std::vector<double> amplitude;
const double dx = (lambda[1] - lambda[0]) / 2.0;
for (double x : lambda) {
if (x != lambda.back()) {
double delta_term = 1.0 / (1.0 + exp(((x + dx) - lambda_1) / lambda_2));
double term1 = phi_max * (pow(lambda_T, 4.0) / pow((x + dx), 5.0)) *
exp(-pow((lambda_T / (x + dx)), 2.0));
double deltaTerm = 1.0 / (1.0 + exp(((x + dx) - lambda1) / lambda2));
double term1 = phiMax * (pow(lambdaT, 4.0) / pow((x + dx), 5.0)) *
exp(-pow((lambdaT / (x + dx)), 2.0));
double term2 =
phi_epi * delta_term / (pow((x + dx), (1.0 + 2.0 * alpha)));
phiEpi * deltaTerm / (pow((x + dx), (1.0 + 2.0 * alpha)));
amplitude.push_back(term1 + term2);
}
}
......@@ -46,22 +46,22 @@ generate_incident_spectrum(const Mantid::HistogramData::HistogramX &lambda,
}
// generate incident spectrum derivitive
std::vector<double> generate_incident_spectrum_prime(
const Mantid::HistogramData::HistogramX &lambda, double phi_max = 6324.0,
double phi_epi = 786.0, double alpha = 0.099, double lambda_1 = 0.67143,
double lambda_2 = 0.06075, double lambda_T = 1.58) {
std::vector<double> generateIncidentSpectrumPrime(
const Mantid::HistogramData::HistogramX &lambda, double phiMax = 6324.0,
double phiEpi = 786.0, double alpha = 0.099, double lambda1 = 0.67143,
double lambda2 = 0.06075, double lambdaT = 1.58) {
std::vector<double> amplitude;
const double dx = (lambda[1] - lambda[0]) / 2.0;
for (double x : lambda) {
if (x != lambda.back()) {
double delta_term = 1.0 / (1.0 + exp(((x + dx) - lambda_1) / lambda_2));
double deltaTerm = 1.0 / (1.0 + exp(((x + dx) - lambda1) / lambda2));
double term1 =
phi_max * pow(lambda_T, 4.0) * exp(-pow((lambda_T / (x + dx)), 2.0)) *
(-5 * pow((x + dx), -6.0) + 2 * pow((x + dx), -8.0) * lambda_T);
double term2 = -phi_epi / pow((x + dx), (1.0 + 2.0 * alpha)) *
delta_term *
phiMax * pow(lambdaT, 4.0) * exp(-pow((lambdaT / (x + dx)), 2.0)) *
(-5 * pow((x + dx), -6.0) + 2 * pow((x + dx), -8.0) * lambdaT);
double term2 = -phiEpi / pow((x + dx), (1.0 + 2.0 * alpha)) *
deltaTerm *
((1.0 + 2.0 * alpha) / (x + dx) +
(1 / delta_term - 1) / lambda_2 * delta_term);
(1 / deltaTerm - 1) / lambda2 * deltaTerm);
amplitude.push_back(term1 + term2);
}
}
......@@ -69,45 +69,45 @@ std::vector<double> generate_incident_spectrum_prime(
}
// generate spectrum with detector info
MatrixWorkspace_sptr generate_incident_spectrum_with_detector_data() {
const double x_start = 0.2;
const double x_end = 4.0;
const double x_inc = 0.01;
MatrixWorkspace_sptr generateIncidentSpectrumWithDetectorData() {
const double xStart = 0.2;
const double xEnd = 4.0;
const double xInc = 0.01;
Algorithm_sptr alg =
AlgorithmManager::Instance().createUnmanaged("CreateSampleWorkspace");
alg->initialize();
alg->setProperty("OutputWorkspace", "incident_spectrum_ws");
alg->setProperty("XMin", x_start);
alg->setProperty("XMax", x_end);
alg->setProperty("BinWidth", x_inc);
alg->setProperty("XMin", xStart);
alg->setProperty("XMax", xEnd);
alg->setProperty("BinWidth", xInc);
alg->setProperty("BankPixelWidth", 1);
alg->execute();
// get the output workspace from ADS
MatrixWorkspace_sptr out_ws =
MatrixWorkspace_sptr outWs =
Mantid::API::AnalysisDataService::Instance()
.retrieveWS<Mantid::API::MatrixWorkspace>("incident_spectrum_ws");
Mantid::HistogramData::HistogramX x = out_ws->x(0);
std::vector<double> y = generate_incident_spectrum(x);
out_ws->setCounts(0, y);
std::vector<double> y_prime = generate_incident_spectrum_prime(x);
out_ws->setCounts(1, y_prime);
return out_ws;
Mantid::HistogramData::HistogramX x = outWs->x(0);
std::vector<double> y = generateIncidentSpectrum(x);
outWs->setCounts(0, y);
std::vector<double> yPrime = generateIncidentSpectrumPrime(x);
outWs->setCounts(1, yPrime);
return outWs;
}
// generate spectrum without detector info
MatrixWorkspace_sptr generate_incident_spectrum_without_detector_data() {
const double x_start = 0.2;
const double x_end = 4.0;
const double x_inc = 0.01;
MatrixWorkspace_sptr generateIncidentSpectrumWithoutDetectorData() {
const double xStart = 0.2;
const double xEnd = 4.0;
const double xInc = 0.01;
std::vector<double> x;
std::vector<double> y;
std::vector<double> y_prime;
for (int i = 0; i < (x_end - x_start) / x_inc; i++) {
x.push_back(x_start + i * x_inc);
std::vector<double> yPrime;
for (int i = 0; i < (xEnd - xStart) / xInc; i++) {
x.push_back(xStart + i * xInc);
}
y = generate_incident_spectrum(x);
y_prime = generate_incident_spectrum_prime(x);
for (double prime : y_prime) {
y = generateIncidentSpectrum(x);
yPrime = generateIncidentSpectrumPrime(x);
for (double prime : yPrime) {
y.push_back(prime);
}
Algorithm_sptr alg =
......@@ -119,15 +119,15 @@ MatrixWorkspace_sptr generate_incident_spectrum_without_detector_data() {
alg->setProperty("NSpec", 2);
alg->execute();
// retreve output workspace from ADS
MatrixWorkspace_sptr out_ws =
MatrixWorkspace_sptr outWs =
Mantid::API::AnalysisDataService::Instance()
.retrieveWS<Mantid::API::MatrixWorkspace>("incident_spectrum_ws");
return out_ws;
return outWs;
}
// Add sample to workspace
MatrixWorkspace_sptr
add_sample_material_to_workspace(MatrixWorkspace_sptr in_ws) {
addSampleMaterialToWorkspace(MatrixWorkspace_sptr inWs) {
Algorithm_sptr alg =
AlgorithmManager::Instance().createUnmanaged("SetSampleMaterial");
alg->initialize();
......@@ -135,7 +135,7 @@ add_sample_material_to_workspace(MatrixWorkspace_sptr in_ws) {
alg->setProperty("ChemicalFormula", "(Li7)2-C-H4-N-Cl6");
alg->setProperty("SampleNumberDensity", 0.1);
alg->execute();
return (in_ws);
return (inWs);
}
class CalculatePlaczekSelfScatteringTest : public CxxTest::TestSuite {
......@@ -151,26 +151,26 @@ public:
void setUp() override { Mantid::API::FrameworkManager::Instance(); }
void test_Init() {
void testInit() {
CalculatePlaczekSelfScattering alg;
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.initialize())
TS_ASSERT(alg.isInitialized())
}
void test_CalculatePlaczekSelfScattering_executes() {
MatrixWorkspace_sptr ws = generate_incident_spectrum_with_detector_data();
ws = add_sample_material_to_workspace(ws);
void testCalculatePlaczekSelfScatteringExecutes() {
MatrixWorkspace_sptr ws = generateIncidentSpectrumWithDetectorData();
ws = addSampleMaterialToWorkspace(ws);
auto alg = makeAlgorithm();
alg->setProperty("InputWorkspace", "incident_spectrum_ws");
alg->setProperty("OutputWorkspace", "correction_ws");
TS_ASSERT_THROWS_NOTHING(alg->execute());
}
void test_CalculatePlaczekSelfScattering_does_not_run_with_no_detectors() {
void testCalculatePlaczekSelfScatteringDoesNotRunWithNoDetectors() {
MatrixWorkspace_sptr ws =
generate_incident_spectrum_without_detector_data();
ws = add_sample_material_to_workspace(ws);
generateIncidentSpectrumWithoutDetectorData();
ws = addSampleMaterialToWorkspace(ws);
auto alg = makeAlgorithm();
alg->setProperty("InputWorkspace", "incident_spectrum_ws");
......@@ -178,8 +178,8 @@ public:
TS_ASSERT_THROWS(alg->execute(), std::runtime_error)
}
void test_CalculatePlaczekSelfScattering_does_not_run_with_no_sample() {
MatrixWorkspace_sptr ws = generate_incident_spectrum_with_detector_data();
void testCalculatePlaczekSelfScatteringDoesNotRunWithNoSample() {
MatrixWorkspace_sptr ws = generateIncidentSpectrumWithDetectorData();
auto alg = makeAlgorithm();
alg->setProperty("InputWorkspace", "incident_spectrum_ws");
......
......@@ -30,9 +30,6 @@ class FitIncidentSpectrum(PythonAlgorithm):
'Outputs a workspace containing the functionalized fit and its first ' \
'derivative.'
def seeAlso(self):
return []
def version(self):
return 1
......
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