diff --git a/Core/Multilayer/DecouplingApproximationStrategy.cpp b/Core/Multilayer/DecouplingApproximationStrategy.cpp
index 32c1d6a2656818cca28e1beedabb2ee742e9737e..0edd1aa9227526d9bd3e561e9205733409a1093f 100644
--- a/Core/Multilayer/DecouplingApproximationStrategy.cpp
+++ b/Core/Multilayer/DecouplingApproximationStrategy.cpp
@@ -30,20 +30,18 @@ double DecouplingApproximationStrategy1::evaluateForList(
{
double intensity = 0.0;
complex_t amplitude = complex_t(0.0, 0.0);
- if (m_total_abundance <= 0.0)
- return 0.0;
for (size_t i = 0; i < m_formfactor_wrappers.size(); ++i) {
complex_t ff = m_precomputed_ff1[i];
if (std::isnan(ff.real()))
throw Exceptions::RuntimeErrorException(
"DecouplingApproximationStrategy::evaluateForList() -> Error! Amplitude is NaN");
- double fraction = m_formfactor_wrappers[i]->m_abundance / m_total_abundance;
+ double fraction = m_formfactor_wrappers[i]->m_abundance;
amplitude += fraction * ff;
intensity += fraction * std::norm(ff);
}
double amplitude_norm = std::norm(amplitude);
double itf_function = mP_iff->evaluate(sim_element.getMeanQ());
- return m_total_abundance * (intensity + amplitude_norm * (itf_function - 1.0));
+ return intensity + amplitude_norm * (itf_function - 1.0);
}
//! Returns the total incoherent and coherent scattering intensity for given kf and
@@ -57,15 +55,13 @@ double DecouplingApproximationStrategy2::evaluateForList(
Eigen::Matrix2cd mean_intensity = Eigen::Matrix2cd::Zero();
Eigen::Matrix2cd mean_amplitude = Eigen::Matrix2cd::Zero();
- if (m_total_abundance <= 0.0)
- return 0.0;
for (size_t i = 0; i < m_formfactor_wrappers.size(); ++i) {
Eigen::Matrix2cd ff = m_precomputed_ff2[i];
if (!ff.allFinite())
throw Exceptions::RuntimeErrorException(
"DecouplingApproximationStrategy::evaluateForList() -> "
"Error! Form factor contains NaN or infinite");
- double fraction = m_formfactor_wrappers[i]->m_abundance / m_total_abundance;
+ double fraction = m_formfactor_wrappers[i]->m_abundance;
mean_amplitude += fraction * ff;
mean_intensity += fraction * (ff * sim_element.getPolarization() * ff.adjoint());
}
@@ -75,5 +71,5 @@ double DecouplingApproximationStrategy2::evaluateForList(
double amplitude_trace = std::abs(amplitude_matrix.trace());
double intensity_trace = std::abs(intensity_matrix.trace());
double itf_function = mP_iff->evaluate(sim_element.getMeanQ());
- return m_total_abundance * (intensity_trace + amplitude_trace * (itf_function - 1.0));
+ return intensity_trace + amplitude_trace * (itf_function - 1.0);
}
diff --git a/Core/Multilayer/IInterferenceFunctionStrategy.cpp b/Core/Multilayer/IInterferenceFunctionStrategy.cpp
index b05f0b1912cb1c86cc82be4595acd30ac30bc0e1..348cebb4568cce1d22b050bda98a8c995d4e531c 100644
--- a/Core/Multilayer/IInterferenceFunctionStrategy.cpp
+++ b/Core/Multilayer/IInterferenceFunctionStrategy.cpp
@@ -50,10 +50,6 @@ void IInterferenceFunctionStrategy::init(
m_formfactor_wrappers = weighted_formfactors;
mP_iff.reset(iff.clone());
- m_total_abundance = 0;
- for (const auto ffw: m_formfactor_wrappers)
- m_total_abundance += ffw->m_abundance;
-
if (&specular_info != mP_specular_info.get())
mP_specular_info.reset(specular_info.clone());
diff --git a/Core/Multilayer/IInterferenceFunctionStrategy.h b/Core/Multilayer/IInterferenceFunctionStrategy.h
index 330c0e1d5b005ec633e6666df86e29e0dcfb957a..26b6c81d73dcbb5df03e0ca5388c07f5906c55ec 100644
--- a/Core/Multilayer/IInterferenceFunctionStrategy.h
+++ b/Core/Multilayer/IInterferenceFunctionStrategy.h
@@ -68,7 +68,6 @@ protected:
//! Evaluates the intensity for given list of evaluated form factors
virtual double evaluateForList(const SimulationElement& sim_element) const =0;
- double m_total_abundance; //!< cached sum of particle abundances, computed by init()
SafePointerVector<FormFactorWrapper> m_formfactor_wrappers;
std::unique_ptr<IInterferenceFunction> mP_iff;
SimulationOptions m_options;
diff --git a/Core/Multilayer/SSCApproximationStrategy.cpp b/Core/Multilayer/SSCApproximationStrategy.cpp
index 55e0d49191385821f0c581b4ab420f0deca44acb..f33df0220d6b060bfb97552ca7840d25c60901b3 100644
--- a/Core/Multilayer/SSCApproximationStrategy.cpp
+++ b/Core/Multilayer/SSCApproximationStrategy.cpp
@@ -36,8 +36,6 @@ void SSCApproximationStrategy::strategy_specific_post_init()
m_mean_radius = 0.0;
for (const auto ffw: m_formfactor_wrappers)
m_mean_radius += ffw->m_abundance * ffw->mp_ff->getRadialExtension();
- if (m_total_abundance > 0.0)
- m_mean_radius /= m_total_abundance;
}
complex_t SSCApproximationStrategy::getCharacteristicDistribution(double qp) const
@@ -56,7 +54,7 @@ complex_t SSCApproximationStrategy::getCharacteristicSizeCoupling(double qp, dou
for (size_t i = 0; i < n_frs; ++i)
result += m_formfactor_wrappers[i]->m_abundance *
calculatePositionOffsetPhase(qp, kappa, i);
- return result / m_total_abundance;
+ return result;
}
complex_t SSCApproximationStrategy::calculatePositionOffsetPhase(
@@ -77,18 +75,16 @@ double SSCApproximationStrategy1::evaluateForList(const SimulationElement& sim_e
{
double qp = sim_element.getMeanQ().magxy();
double diffuse_intensity = 0.0;
- if (m_total_abundance <= 0.0)
- return 0.0;
for (size_t i = 0; i < m_formfactor_wrappers.size(); ++i) {
complex_t ff = m_precomputed_ff1[i];
- double fraction = m_formfactor_wrappers[i]->m_abundance / m_total_abundance;
+ double fraction = m_formfactor_wrappers[i]->m_abundance;
diffuse_intensity += fraction * std::norm(ff);
}
complex_t mean_ff_norm = getMeanFormfactorNorm(qp);
complex_t p2kappa = getCharacteristicSizeCoupling(qp, 2.0 * m_kappa);
complex_t omega = getCharacteristicDistribution(qp);
double interference_intensity = 2.0 * (mean_ff_norm * omega / (1.0 - p2kappa * omega)).real();
- return m_total_abundance * (diffuse_intensity + interference_intensity);
+ return diffuse_intensity + interference_intensity;
}
complex_t SSCApproximationStrategy1::getMeanFormfactorNorm(double qp) const
@@ -100,7 +96,7 @@ complex_t SSCApproximationStrategy1::getMeanFormfactorNorm(double qp) const
ff_orig += prefac * m_precomputed_ff1[i];
ff_conj += prefac * std::conj(m_precomputed_ff1[i]);
}
- return ff_orig * ff_conj / m_total_abundance / m_total_abundance;
+ return ff_orig * ff_conj;
}
// ************************************************************************** //
@@ -116,11 +112,9 @@ double SSCApproximationStrategy2::evaluateForList(const SimulationElement& sim_e
{
double qp = sim_element.getMeanQ().magxy();
Eigen::Matrix2cd diffuse_matrix = Eigen::Matrix2cd::Zero();
- if (m_total_abundance <= 0.0)
- return 0.0;
for (size_t i = 0; i < m_formfactor_wrappers.size(); ++i) {
Eigen::Matrix2cd ff = m_precomputed_ff2[i];
- double fraction = m_formfactor_wrappers[i]->m_abundance / m_total_abundance;
+ double fraction = m_formfactor_wrappers[i]->m_abundance;
diffuse_matrix += fraction * (ff * sim_element.getPolarization() * ff.adjoint());
}
Eigen::Matrix2cd mff_orig, mff_conj; // original and conjugated mean formfactor
@@ -134,7 +128,7 @@ double SSCApproximationStrategy2::evaluateForList(const SimulationElement& sim_e
Eigen::Matrix2cd diffuse_matrix2 = sim_element.getAnalyzerOperator() * diffuse_matrix;
double interference_trace = std::abs(interference_matrix.trace());
double diffuse_trace = std::abs(diffuse_matrix2.trace());
- return m_total_abundance * (diffuse_trace + interference_trace);
+ return diffuse_trace + interference_trace;
}
//! Computes ff_orig and ff_conj.
@@ -149,6 +143,4 @@ void SSCApproximationStrategy2::getMeanFormfactors(
ff_orig += prefac * m_precomputed_ff2[i];
ff_conj += prefac * m_precomputed_ff2[i].adjoint();
}
- ff_orig /= m_total_abundance;
- ff_conj /= m_total_abundance;
}
diff --git a/Tests/ReferenceData/PyPersist/ApproximationLMA.ref.int.gz b/Tests/ReferenceData/PyPersist/ApproximationLMA.ref.int.gz
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diff --git a/Tests/ReferenceData/StandardSuite/ApproximationLMA.int.gz b/Tests/ReferenceData/StandardSuite/ApproximationLMA.int.gz
index 30ccbd772ac464f6ccc05ad1a7f460b5d24de70f..29377dd5b2219623d08fab9b6dcb2f59128b0c69 100644
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diff --git a/Tests/ReferenceData/StandardSuite/MultipleLayout.int.gz b/Tests/ReferenceData/StandardSuite/MultipleLayout.int.gz
index 21bbb27ae3fdef27acfbcb5e592c27224aa54cb9..e55d7ccd6dfa6fb2f7cd6ff665ce64e97e578c07 100644
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