SSCAStrategy Class Reference

Description

Strategy class to compute the total scattering from a particle layout in the size-spacing correlation approximation.

Definition at line 31 of file SSCAStrategy.h.

Inheritance diagram for SSCAStrategy:

Collaboration diagram for SSCAStrategy:

Public Member Functions
	SSCAStrategy (const std::vector< std::unique_ptr< const CoherentFFSum >> &weighted_formfactors, const InterferenceRadialParaCrystal *iff, SimulationOptions sim_params, bool polarized, double kappa)
double	evaluate (const DiffuseElement &ele) const
	Calculates the intensity for scalar particles/interactions. More...

Protected Attributes
const SimulationOptions	m_options
const std::vector< std::unique_ptr< const CoherentFFSum > > &	m_weighted_formfactors

Private Member Functions
complex_t	calculatePositionOffsetPhase (double qp, double radial_extension) const
double	evaluate_for_fixed_angles (const double *fractions, size_t dim, const void *params) const
double	evaluateSinglePoint (const DiffuseElement &ele) const
complex_t	getCharacteristicSizeCoupling (double qp, const std::vector< std::unique_ptr< const CoherentFFSum >> &ff_wrappers) const
double	MCIntegratedEvaluate (const DiffuseElement &ele) const
	Performs a Monte Carlo integration over the bin for the evaluation of the intensity. More...
double	polarizedCalculation (const DiffuseElement &ele) const override
	This is the polarized version. More...
double	scalarCalculation (const DiffuseElement &ele) const override
	Returns the total scattering intensity for given kf and for one particle layout (implied by the given particle form factors). This is the scalar version. More...

Private Attributes
const std::unique_ptr< InterferenceRadialParaCrystal >	m_iff
const std::unique_ptr< IntegratorMCMiser< IInterparticleStrategy > >	m_integrator
const double	m_kappa
const double	m_mean_radius
const bool	m_polarized

Constructor & Destructor Documentation

SSCAStrategy()

SSCAStrategy::SSCAStrategy	(	const std::vector< std::unique_ptr< const CoherentFFSum >> &	weighted_formfactors,
		const InterferenceRadialParaCrystal *	iff,
		SimulationOptions	sim_params,
		bool	polarized,
		double	kappa
	)

Definition at line 33 of file SSCAStrategy.cpp.

    : IInterparticleStrategy(weighted_formfactors, sim_params, polarized)
    , m_iff(iff->clone())
    , m_kappa(kappa)
    , m_mean_radius(meanRadius(weighted_formfactors))
{
}

Member Function Documentation

calculatePositionOffsetPhase()

complex_t SSCAStrategy::calculatePositionOffsetPhase ( double  qp, double  radial_extension  ) const

private

Definition at line 110 of file SSCAStrategy.cpp.

{
    return exp_I(m_kappa * qp * (radial_extension - m_mean_radius));
}

References m_kappa, and m_mean_radius.

Referenced by getCharacteristicSizeCoupling(), polarizedCalculation(), and scalarCalculation().

evaluate()

double IInterparticleStrategy::evaluate ( const DiffuseElement &  ele ) const

inherited

Calculates the intensity for scalar particles/interactions.

Definition at line 35 of file IInterparticleStrategy.cpp.

{
    if (m_options.isIntegrate() && (ele.solidAngle() > 0.0))
        return MCIntegratedEvaluate(ele);
    return evaluateSinglePoint(ele);
}

References IInterparticleStrategy::evaluateSinglePoint(), SimulationOptions::isIntegrate(), IInterparticleStrategy::m_options, IInterparticleStrategy::MCIntegratedEvaluate(), and DiffuseElement::solidAngle().

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evaluate_for_fixed_angles()

double IInterparticleStrategy::evaluate_for_fixed_angles ( const double *  fractions, size_t  dim, const void *  params  ) const

privateinherited

Definition at line 57 of file IInterparticleStrategy.cpp.

{
    double par0 = fractions[0];
    double par1 = fractions[1];
 
    const auto* pars = static_cast<const DiffuseElement*>(params);
 
    DiffuseElement ele = pars->pointElement(par0, par1);
    return pars->integrationFactor(par0, par1) * evaluateSinglePoint(ele);
}

References IInterparticleStrategy::evaluateSinglePoint(), DiffuseElement::integrationFactor(), and DiffuseElement::pointElement().

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evaluateSinglePoint()

double IInterparticleStrategy::evaluateSinglePoint ( const DiffuseElement &  ele ) const

privateinherited

Definition at line 42 of file IInterparticleStrategy.cpp.

{
    if (!m_polarized)
        return scalarCalculation(ele);
    return polarizedCalculation(ele);
}

References IInterparticleStrategy::m_polarized, IInterparticleStrategy::polarizedCalculation(), and IInterparticleStrategy::scalarCalculation().

Referenced by IInterparticleStrategy::evaluate(), and IInterparticleStrategy::evaluate_for_fixed_angles().

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getCharacteristicSizeCoupling()

complex_t SSCAStrategy::getCharacteristicSizeCoupling ( double  qp, const std::vector< std::unique_ptr< const CoherentFFSum >> &  ff_wrappers  ) const

private

Definition at line 100 of file SSCAStrategy.cpp.

{
    complex_t result = 0;
    for (const auto& ffw : ff_wrappers)
        result += ffw->relativeAbundance()
                  * calculatePositionOffsetPhase(2.0 * qp, ffw->radialExtension());
    return result;
}

References calculatePositionOffsetPhase().

Referenced by polarizedCalculation(), and scalarCalculation().

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MCIntegratedEvaluate()

double IInterparticleStrategy::MCIntegratedEvaluate ( const DiffuseElement &  ele ) const

privateinherited

Performs a Monte Carlo integration over the bin for the evaluation of the intensity.

Definition at line 50 of file IInterparticleStrategy.cpp.

{
    double min_array[] = {0.0, 0.0};
    double max_array[] = {1.0, 1.0};
    return m_integrator->integrate(min_array, max_array, (void*)&ele, m_options.getMcPoints());
}

References SimulationOptions::getMcPoints(), IInterparticleStrategy::m_integrator, and IInterparticleStrategy::m_options.

Referenced by IInterparticleStrategy::evaluate().

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polarizedCalculation()

double SSCAStrategy::polarizedCalculation ( const DiffuseElement &  ele ) const

overrideprivatevirtual

This is the polarized version.

Implements IInterparticleStrategy.

Definition at line 71 of file SSCAStrategy.cpp.

{
    const double qp = ele.meanQ().magxy();
    SpinMatrix diffuse_matrix;
    const auto& polarization_handler = ele.polMatrices();
    SpinMatrix ff_orig;
    SpinMatrix ff_conj;
    for (const auto& ffw : m_weighted_formfactors) {
        const SpinMatrix ff = ffw->summedPolFF(ele);
        const double fraction = ffw->relativeAbundance();
        diffuse_matrix += fraction * (ff * polarization_handler.polarizerMatrix() * ff.adjoint());
        const double radial_extension = ffw->radialExtension();
        const complex_t prefac =
            ffw->relativeAbundance() * calculatePositionOffsetPhase(qp, radial_extension);
        ff_orig += prefac * ff;
        ff_conj += prefac * ff.adjoint();
    }
    const complex_t p2kappa = getCharacteristicSizeCoupling(qp, m_weighted_formfactors);
    const complex_t omega = m_iff->FTPDF(qp);
    const SpinMatrix interference_matrix = (2.0 * omega / (1.0 - p2kappa * omega))
                                           * polarization_handler.analyzerMatrix() * ff_orig
                                           * polarization_handler.polarizerMatrix() * ff_conj;
    const SpinMatrix diffuse_matrix2 = polarization_handler.analyzerMatrix() * diffuse_matrix;
    const double interference_trace = std::abs(interference_matrix.trace());
    const double diffuse_trace = std::abs(diffuse_matrix2.trace());
    const double dw_factor = m_iff->DWfactor(ele.meanQ());
    return diffuse_trace + dw_factor * interference_trace;
}

References calculatePositionOffsetPhase(), getCharacteristicSizeCoupling(), m_iff, IInterparticleStrategy::m_weighted_formfactors, DiffuseElement::meanQ(), IElement::polMatrices(), and SpinMatrix::trace().

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scalarCalculation()

double SSCAStrategy::scalarCalculation ( const DiffuseElement &  ele ) const

overrideprivatevirtual

Returns the total scattering intensity for given kf and for one particle layout (implied by the given particle form factors). This is the scalar version.

Implements IInterparticleStrategy.

Definition at line 47 of file SSCAStrategy.cpp.

{
    const double qp = ele.meanQ().magxy();
    double diffuse_intensity = 0.0;
    complex_t ff_orig = 0., ff_conj = 0.; // original and conjugated mean formfactor
    for (const auto& ffw : m_weighted_formfactors) {
        complex_t ff = ffw->summedFF(ele);
        double fraction = ffw->relativeAbundance();
        diffuse_intensity += fraction * std::norm(ff);
        double radial_extension = ffw->radialExtension();
        complex_t prefac =
            ffw->relativeAbundance() * calculatePositionOffsetPhase(qp, radial_extension);
        ff_orig += prefac * ff;
        ff_conj += prefac * std::conj(ff);
    }
    const complex_t mean_ff_norm = ff_orig * ff_conj;
    const complex_t p2kappa = getCharacteristicSizeCoupling(qp, m_weighted_formfactors);
    const complex_t omega = m_iff->FTPDF(qp);
    const double iff = 2.0 * (mean_ff_norm * omega / (1.0 - p2kappa * omega)).real();
    const double dw_factor = m_iff->DWfactor(ele.meanQ());
    return diffuse_intensity + dw_factor * iff;
}

References calculatePositionOffsetPhase(), getCharacteristicSizeCoupling(), m_iff, IInterparticleStrategy::m_weighted_formfactors, and DiffuseElement::meanQ().

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Member Data Documentation

m_iff

const std::unique_ptr<InterferenceRadialParaCrystal> SSCAStrategy::m_iff

private

Definition at line 45 of file SSCAStrategy.h.

Referenced by polarizedCalculation(), and scalarCalculation().

m_integrator

const std::unique_ptr<IntegratorMCMiser<IInterparticleStrategy> > IInterparticleStrategy::m_integrator

privateinherited

Definition at line 66 of file IInterparticleStrategy.h.

Referenced by IInterparticleStrategy::MCIntegratedEvaluate().

m_kappa

const double SSCAStrategy::m_kappa

private

Definition at line 46 of file SSCAStrategy.h.

Referenced by calculatePositionOffsetPhase().

m_mean_radius

const double SSCAStrategy::m_mean_radius

private

Definition at line 47 of file SSCAStrategy.h.

Referenced by calculatePositionOffsetPhase().

m_options

const SimulationOptions IInterparticleStrategy::m_options

protectedinherited

Definition at line 53 of file IInterparticleStrategy.h.

Referenced by IInterparticleStrategy::evaluate(), and IInterparticleStrategy::MCIntegratedEvaluate().

m_polarized

const bool IInterparticleStrategy::m_polarized

privateinherited

Definition at line 64 of file IInterparticleStrategy.h.

Referenced by IInterparticleStrategy::evaluateSinglePoint().

m_weighted_formfactors

const std::vector<std::unique_ptr<const CoherentFFSum> >& IInterparticleStrategy::m_weighted_formfactors

protectedinherited

Definition at line 52 of file IInterparticleStrategy.h.

Referenced by IInterparticleStrategy::IInterparticleStrategy(), DecouplingApproximationStrategy::polarizedCalculation(), polarizedCalculation(), DecouplingApproximationStrategy::scalarCalculation(), and scalarCalculation().

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The documentation for this class was generated from the following files:

• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Resample/Interparticle/SSCAStrategy.h
• /home/build/builds/o5h8MZZm/0/mlz/bornagain/Resample/Interparticle/SSCAStrategy.cpp