Description

Interference function of a 1D lattice.

Definition at line 25 of file Interference1DLattice.h.

Inheritance diagram for Interference1DLattice:

Collaboration diagram for Interference1DLattice:

Public Member Functions
	Interference1DLattice (double length, double xi)
	Constructor of interference function of one-dimensional lattice. More...

	~Interference1DLattice () override

void	checkNodeArgs () const
	Raises exception if a parameter value is invalid. More...

std::string	className () const final
	Returns the class name, to be hard-coded in each leaf class that inherits from INode. More...

Interference1DLattice *	clone () const override

double	DWfactor (R3 q) const
	structureFactors the Debye-Waller factor for a given wavevector transfer More...

double	length () const

std::vector< const INode * >	nodeChildren () const override
	Returns all children. More...

std::vector< const INode * >	nodeOffspring () const
	Returns all descendants. More...

std::vector< ParaMeta >	parDefs () const final
	Returns the parameter definitions, to be hard-coded in each leaf class. More...

virtual double	particleDensity () const
	If defined by this interference function's parameters, returns the particle density (per area). Otherwise, returns zero or a user-defined value. More...

double	positionVariance () const
	Returns the position variance. More...

void	setDecayFunction (const IProfile1D &decay)
	Sets one-dimensional decay function. More...

void	setPositionVariance (double var)
	Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension. More...

virtual double	structureFactor (R3 q, double outer_iff=1.0) const
	The interference function for a given wavevector transfer. More...

virtual bool	supportsMultilayer () const
	Indicates if this interference function can be used with a sample (DWBA mode) More...

virtual void	transferToCPP ()
	Used for Python overriding of clone (see swig/tweaks.py) More...

double	xi () const

Protected Member Functions
double	iff_no_inner (R3 q, double outer_iff) const
	Calculates the structure factor in the absence of extra inner structure. More...

Protected Attributes
std::vector< double >	m_P

double	m_position_var

Private Member Functions
double	iff_without_dw (R3 q) const override
	Calculates the structure factor without Debye-Waller factor. More...

Private Attributes
std::unique_ptr< IProfile1D >	m_decay

double	m_length

int	m_na
	determines the number of reciprocal lattice points to use More...

double	m_xi

Constructor & Destructor Documentation

◆ Interference1DLattice()

Interference1DLattice::Interference1DLattice	(	double	length,
		double	xi
	)

Constructor of interference function of one-dimensional lattice.

Parameters

length	lattice constant in nanometers
xi	rotation of lattice with respect to x-axis in radians

Definition at line 34 of file Interference1DLattice.cpp.

     : IInterference(0)
     , m_length(length)
     , m_xi(xi)
     , m_na{0}
 {
     RealLimits::nonnegative().check("Length", m_length);
 }

References RealLimits::check(), m_length, and RealLimits::nonnegative().

Referenced by clone().

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◆ ~Interference1DLattice()

Interference1DLattice::~Interference1DLattice ( )

overridedefault

Member Function Documentation

◆ checkNodeArgs()

void INode::checkNodeArgs ( ) const

inherited

Raises exception if a parameter value is invalid.

Definition at line 27 of file INode.cpp.

 {
     size_t nP = m_P.size();
     if (parDefs().size() != nP) {
         std::cerr << "BUG in class " << className() << std::endl;
         std::cerr << "#m_P = " << nP << std::endl;
         std::cerr << "#PDf = " << parDefs().size() << std::endl;
         for (const ParaMeta& pm : parDefs())
             std::cerr << "  PDf: " << pm.name << std::endl;
         ASSERT(0);
     }
     ASSERT(parDefs().size() == nP);
     for (size_t i = 0; i < nP; ++i) {
         const ParaMeta pm = parDefs()[i];
  
         RealLimits limits = RealLimits::limitless();
         if (pm.vMin == -INF) {
             ASSERT(pm.vMax == +INF);
             // nothing to do
         } else if (pm.vMax == +INF) {
             ASSERT(pm.vMin == 0);
             limits = RealLimits::nonnegative();
         } else {
             limits = RealLimits::limited(pm.vMin, pm.vMax);
         }
         limits.check(pm.name, m_P[i]);
     }
 }

References ASSERT, RealLimits::check(), INode::className(), INF, RealLimits::limited(), RealLimits::limitless(), INode::m_P, ParaMeta::name, RealLimits::nonnegative(), INode::parDefs(), ParaMeta::vMax, and ParaMeta::vMin.

Referenced by BarGauss::BarGauss(), BarLorentz::BarLorentz(), Bipyramid4::Bipyramid4(), Box::Box(), CantellatedCube::CantellatedCube(), Cone::Cone(), ConstantBackground::ConstantBackground(), CosineRippleBox::CosineRippleBox(), CosineRippleGauss::CosineRippleGauss(), CosineRippleLorentz::CosineRippleLorentz(), Cylinder::Cylinder(), DistributionCosine::DistributionCosine(), DistributionGate::DistributionGate(), DistributionGaussian::DistributionGaussian(), DistributionLogNormal::DistributionLogNormal(), DistributionLorentz::DistributionLorentz(), DistributionTrapezoid::DistributionTrapezoid(), Dodecahedron::Dodecahedron(), EllipsoidalCylinder::EllipsoidalCylinder(), FootprintGauss::FootprintGauss(), FootprintSquare::FootprintSquare(), FuzzySphere::FuzzySphere(), GaussSphere::GaussSphere(), HemiEllipsoid::HemiEllipsoid(), HollowSphere::HollowSphere(), HorizontalCylinder::HorizontalCylinder(), Icosahedron::Icosahedron(), LongBoxGauss::LongBoxGauss(), LongBoxLorentz::LongBoxLorentz(), PlatonicOctahedron::PlatonicOctahedron(), PlatonicTetrahedron::PlatonicTetrahedron(), Prism3::Prism3(), Prism6::Prism6(), Profile1DCauchy::Profile1DCauchy(), Profile1DCosine::Profile1DCosine(), Profile1DGate::Profile1DGate(), Profile1DGauss::Profile1DGauss(), Profile1DTriangle::Profile1DTriangle(), Profile1DVoigt::Profile1DVoigt(), Profile2DCauchy::Profile2DCauchy(), Profile2DCone::Profile2DCone(), Profile2DGate::Profile2DGate(), Profile2DGauss::Profile2DGauss(), Profile2DVoigt::Profile2DVoigt(), Pyramid2::Pyramid2(), Pyramid3::Pyramid3(), Pyramid4::Pyramid4(), Pyramid6::Pyramid6(), RotationEuler::RotationEuler(), RotationX::RotationX(), RotationY::RotationY(), RotationZ::RotationZ(), SawtoothRippleBox::SawtoothRippleBox(), SawtoothRippleGauss::SawtoothRippleGauss(), SawtoothRippleLorentz::SawtoothRippleLorentz(), Sphere::Sphere(), Spheroid::Spheroid(), TruncatedCube::TruncatedCube(), TruncatedSphere::TruncatedSphere(), and TruncatedSpheroid::TruncatedSpheroid().

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◆ className()

std::string Interference1DLattice::className ( ) const

inlinefinalvirtual

Returns the class name, to be hard-coded in each leaf class that inherits from INode.

Implements INode.

Definition at line 31 of file Interference1DLattice.h.

31 { return "Interference1DLattice"; }

◆ clone()

Interference1DLattice * Interference1DLattice::clone ( ) const

overridevirtual

Implements IInterference.

Definition at line 45 of file Interference1DLattice.cpp.

 {
     auto* result = new Interference1DLattice(m_length, m_xi);
     result->setPositionVariance(m_position_var);
     result->m_na = m_na;
     if (m_decay)
         result->setDecayFunction(*m_decay);
     return result;
 }

References Interference1DLattice(), m_decay, m_length, m_na, IInterference::m_position_var, and m_xi.

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◆ DWfactor()

double IInterference::DWfactor ( R3 q ) const

inherited

structureFactors the Debye-Waller factor for a given wavevector transfer

Definition at line 48 of file IInterference.cpp.

 {
     // remove z component for two-dimensional interference functions:
     if (supportsMultilayer())
         q.setZ(0.0);
     return std::exp(-q.mag2() * m_position_var);
 }

References IInterference::m_position_var, and IInterference::supportsMultilayer().

Referenced by IInterference::iff_no_inner(), and Interference2DSuperLattice::interferenceForXi().

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◆ iff_no_inner()

double IInterference::iff_no_inner	(	R3	q,
		double	outer_iff
	)		const

protectedinherited

Calculates the structure factor in the absence of extra inner structure.

Definition at line 56 of file IInterference.cpp.

 {
     return DWfactor(q) * (iff_without_dw(q) * outer_iff - 1.0) + 1.0;
 }

References IInterference::DWfactor(), and IInterference::iff_without_dw().

Referenced by IInterference::structureFactor().

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◆ iff_without_dw()

double Interference1DLattice::iff_without_dw ( R3 q ) const

overrideprivatevirtual

Calculates the structure factor without Debye-Waller factor.

Implements IInterference.

Definition at line 71 of file Interference1DLattice.cpp.

 {
     ASSERT(m_decay);
     double result = 0.0;
     double qxr = q.x();
     double qyr = q.y();
     double qx_frac;
     double xi = m_xi;
     double a = m_length;
     double a_rec = M_TWOPI / a;
  
     // rotate the q vector to xi angle
     // so that qx_prime is along the a axis of lattice
     double qx_prime = qxr * std::cos(xi) + qyr * std::sin(xi);
  
     // calculate reciprocal vector fraction
     int qa_int = static_cast<int>(qx_prime / a_rec);
     qx_frac = qx_prime - qa_int * a_rec;
  
     for (int i = -m_na; i < m_na + 1; ++i) {
         double qx = qx_frac + i * a_rec;
         result += m_decay->decayFT(qx);
     }
     return result / a;
 }

References ASSERT, m_decay, m_length, m_na, M_TWOPI, m_xi, and xi().

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◆ length()

double Interference1DLattice::length ( ) const

inline

Definition at line 40 of file Interference1DLattice.h.

40 { return m_length; }

References m_length.

◆ nodeChildren()

std::vector< const INode * > Interference1DLattice::nodeChildren ( ) const

overridevirtual

Returns all children.

Reimplemented from INode.

Definition at line 66 of file Interference1DLattice.cpp.

 {
     return std::vector<const INode*>() << m_decay;
 }

References m_decay.

◆ nodeOffspring()

std::vector< const INode * > INode::nodeOffspring ( ) const

inherited

Returns all descendants.

Definition at line 61 of file INode.cpp.

 {
     std::vector<const INode*> result;
     result.push_back(this);
     for (const auto* child : nodeChildren()) {
         for (const auto* p : child->nodeOffspring())
             result.push_back(p);
     }
     return result;
 }

References INode::nodeChildren().

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◆ parDefs()

std::vector<ParaMeta> Interference1DLattice::parDefs ( ) const

inlinefinalvirtual

Returns the parameter definitions, to be hard-coded in each leaf class.

Reimplemented from INode.

Definition at line 32 of file Interference1DLattice.h.

     {
         return {{"Length", "nm", "lattice constant", 0, +INF, 0},
                 {"Xi", "rad", "angle x axis and lattice vector??", -INF, +INF, 0}};
     }

References INF.

◆ particleDensity()

virtual double IInterference::particleDensity ( ) const

inlinevirtualinherited

If defined by this interference function's parameters, returns the particle density (per area). Otherwise, returns zero or a user-defined value.

Reimplemented in InterferenceHardDisk, InterferenceFinite2DLattice, Interference2DParaCrystal, and Interference2DLattice.

Definition at line 44 of file IInterference.h.

44 { return 0.0; }

◆ positionVariance()

double IInterference::positionVariance ( ) const

inlineinherited

Returns the position variance.

Definition at line 40 of file IInterference.h.

40 { return m_position_var; }

References IInterference::m_position_var.

◆ setDecayFunction()

void Interference1DLattice::setDecayFunction ( const IProfile1D & decay )

Sets one-dimensional decay function.

Parameters

decay one-dimensional decay function in reciprocal space

Definition at line 57 of file Interference1DLattice.cpp.

 {
     m_decay.reset(decay.clone());
     double decay_length = m_decay->decayLength();
     double qa_max = m_length * nmax / decay_length / M_TWOPI;
     m_na = static_cast<int>(std::lround(std::abs(qa_max) + 0.5));
     m_na = std::max(m_na, min_points);
 }

References IProfile1D::clone(), m_decay, m_length, m_na, and M_TWOPI.

Referenced by ExemplarySamples::createLattice1D().

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◆ setPositionVariance()

void IInterference::setPositionVariance ( double var )

inherited

Sets the variance of the position for the calculation of the DW factor It is defined as the variance in each relevant dimension.

Definition at line 40 of file IInterference.cpp.

 {
     if (var < 0.0)
         throw std::runtime_error("IInterference::setPositionVariance: "
                                  "variance should be positive.");
     m_position_var = var;
 }

References IInterference::m_position_var.

Referenced by ExemplarySamples::createFiniteSquareLattice2D(), and ExemplarySamples::createSuperLattice().

◆ structureFactor()

double IInterference::structureFactor	(	R3	q,
		double	outer_iff = `1.0`
	)		const

virtualinherited

The interference function for a given wavevector transfer.

Reimplemented in Interference2DSuperLattice.

Definition at line 35 of file IInterference.cpp.

 {
     return iff_no_inner(q, outer_iff);
 }

References IInterference::iff_no_inner().

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◆ supportsMultilayer()

virtual bool IInterference::supportsMultilayer ( ) const

inlinevirtualinherited

Indicates if this interference function can be used with a sample (DWBA mode)

Reimplemented in InterferenceFinite3DLattice, and Interference3DLattice.

Definition at line 47 of file IInterference.h.

47 { return true; }

Referenced by IInterference::DWfactor().

◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )

inlinevirtualinherited

Used for Python overriding of clone (see swig/tweaks.py)

Definition at line 32 of file ICloneable.h.

◆ xi()

double Interference1DLattice::xi ( ) const

inline

Definition at line 41 of file Interference1DLattice.h.

41 { return m_xi; }

References m_xi.

Referenced by iff_without_dw().

Member Data Documentation

◆ m_decay

std::unique_ptr<IProfile1D> Interference1DLattice::m_decay

private

Definition at line 50 of file Interference1DLattice.h.

Referenced by clone(), iff_without_dw(), nodeChildren(), and setDecayFunction().

◆ m_length

double Interference1DLattice::m_length

private

Definition at line 48 of file Interference1DLattice.h.

Referenced by Interference1DLattice(), clone(), iff_without_dw(), length(), and setDecayFunction().

◆ m_na

int Interference1DLattice::m_na

private

determines the number of reciprocal lattice points to use

Definition at line 51 of file Interference1DLattice.h.

Referenced by clone(), iff_without_dw(), and setDecayFunction().

◆ m_P

std::vector<double> INode::m_P

protectedinherited

Definition at line 63 of file INode.h.

Referenced by IFootprintFactor::IFootprintFactor(), INode::checkNodeArgs(), IProfile1D::pythonConstructor(), IProfile2D::pythonConstructor(), IFormFactor::pythonConstructor(), Profile1DVoigt::pythonConstructor(), and Profile2DVoigt::pythonConstructor().

◆ m_position_var

double IInterference::m_position_var

protectedinherited

Definition at line 53 of file IInterference.h.

Referenced by IInterference::IInterference(), clone(), Interference2DLattice::clone(), Interference2DParaCrystal::clone(), Interference2DSuperLattice::clone(), Interference3DLattice::clone(), InterferenceFinite2DLattice::clone(), InterferenceFinite3DLattice::clone(), InterferenceHardDisk::clone(), InterferenceNone::clone(), InterferenceRadialParaCrystal::clone(), InterferenceTwin::clone(), IInterference::DWfactor(), IInterference::positionVariance(), and IInterference::setPositionVariance().

◆ m_xi

double Interference1DLattice::m_xi

private

Definition at line 49 of file Interference1DLattice.h.

Referenced by clone(), iff_without_dw(), and xi().

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

/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/Interference1DLattice.h
/home/build/builds/o5h8MZZm/0/mlz/bornagain/Sample/Aggregate/Interference1DLattice.cpp

Description

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ Interference1DLattice()

◆ ~Interference1DLattice()

Member Function Documentation

◆ checkNodeArgs()

◆ className()

◆ clone()

◆ DWfactor()

◆ iff_no_inner()

◆ iff_without_dw()

◆ length()

◆ nodeChildren()

◆ nodeOffspring()

◆ parDefs()

◆ particleDensity()

◆ positionVariance()

◆ setDecayFunction()

◆ setPositionVariance()

◆ structureFactor()

◆ supportsMultilayer()

◆ transferToCPP()

◆ xi()

Member Data Documentation

◆ m_decay

◆ m_length

◆ m_na

◆ m_P

◆ m_position_var

◆ m_xi