BornAgain  1.19.0
Simulate and fit neutron and x-ray scattering at grazing incidence
InterferenceFunction2DSuperLattice Class Reference

Interference function of a 2D superlattice with a configurable interference function for each lattice site. More...

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Public Member Functions

 InterferenceFunction2DSuperLattice (const Lattice2D &lattice, unsigned size_1, unsigned size_2)
 
 InterferenceFunction2DSuperLattice (double length_1, double length_2, double alpha, double xi, unsigned size_1, unsigned size_2)
 Constructor of two-dimensional interference function. More...
 
 ~InterferenceFunction2DSuperLattice () override
 
void accept (INodeVisitor *visitor) const override
 Calls the INodeVisitor's visit method. More...
 
InterferenceFunction2DSuperLatticeclone () const override
 Returns a clone of this ISampleNode object. More...
 
std::vector< const Material * > containedMaterials () const
 Returns set of unique materials contained in this ISampleNode. More...
 
int copyNumber (const INode *node) const
 Returns copyNumber of child, which takes into account existence of children with same name. More...
 
ParameterPoolcreateParameterTree () const
 Creates new parameter pool, with all local parameters and those of its children. More...
 
std::string displayName () const
 Returns display name, composed from the name of node and it's copy number. More...
 
unsigned domainSize1 () const
 
unsigned domainSize2 () const
 
double DWfactor (kvector_t q) const
 Evaluates the Debye-Waller factor for a given wavevector transfer. More...
 
double evaluate (const kvector_t q, double outer_iff=1.0) const override
 Evaluates the interference function for a given wavevector transfer. More...
 
std::vector< const INode * > getChildren () const override
 Returns a vector of children. More...
 
const std::string & getName () const
 
virtual double getParticleDensity () const
 If defined by this interference function's parameters, returns the particle density (per area). More...
 
bool integrationOverXi () const
 
bool isMagnetic () const
 Returns true if there is any magnetic material in this ISampleNode. More...
 
const Lattice2Dlattice () const
 
virtual const Materialmaterial () const
 Returns nullptr, unless overwritten to return a specific material. More...
 
virtual void onChange ()
 Action to be taken in inherited class when a parameter has changed. More...
 
RealParameterparameter (const std::string &name) const
 Returns parameter with given 'name'. More...
 
ParameterPoolparameterPool () const
 Returns pointer to the parameter pool. More...
 
std::string parametersToString () const
 Returns multiline string representing available parameters. More...
 
INodeparent ()
 
const INodeparent () const
 
double positionVariance () const
 Returns the position variance. More...
 
std::vector< const INode * > progeny () const
 Returns a vector of all descendants. More...
 
void registerChild (INode *node)
 
RealParameterregisterParameter (const std::string &name, double *parpointer)
 
void registerVector (const std::string &base_name, kvector_t *p_vec, const std::string &units="nm")
 
void removeParameter (const std::string &name)
 
void removeVector (const std::string &base_name)
 
void setIntegrationOverXi (bool integrate_xi)
 
void setName (const std::string &name)
 
void setParameterValue (const std::string &name, double value)
 
virtual void setParent (const INode *newParent)
 
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...
 
void setSubstructureIFF (const IInterferenceFunction &sub_iff)
 
void setVectorValue (const std::string &base_name, kvector_t value)
 
const IInterferenceFunctionsubstructureIFF () const
 
virtual bool supportsMultilayer () const
 Indicates if this interference function can be used with a multilayer (DWBA mode) More...
 
virtual void transferToCPP ()
 Used for Python overriding of clone (see swig/tweaks.py) More...
 
virtual std::string treeToString () const
 Returns multiline string representing tree structure below the node. More...
 

Static Public Member Functions

static std::string XComponentName (const std::string &base_name)
 
static std::string YComponentName (const std::string &base_name)
 
static std::string ZComponentName (const std::string &base_name)
 

Protected Member Functions

double iff_no_inner (const kvector_t q, double outer_iff) const
 Calculates the structure factor in the absence of extra inner structure. More...
 

Protected Attributes

const size_t m_NP
 
std::vector< double > m_P
 
double m_position_var
 

Private Member Functions

double iff_without_dw (const kvector_t q) const override
 Calculates the structure factor without Debye-Waller factor. More...
 
double interferenceForXi (double xi) const
 

Private Attributes

bool m_integrate_xi
 Integrate over the orientation xi. More...
 
std::unique_ptr< Lattice2Dm_lattice
 
std::string m_name
 
double m_outer_iff
 
const INodem_parent {nullptr}
 
std::unique_ptr< ParameterPoolm_pool
 parameter pool (kind of pointer-to-implementation) More...
 
double m_qx
 
double m_qy
 
unsigned m_size_1
 
unsigned m_size_2
 Size of the finite lattice in lattice units. More...
 
std::unique_ptr< IInterferenceFunctionm_substructure
 IFF of substructure. More...
 
double m_xi
 

Detailed Description

Interference function of a 2D superlattice with a configurable interference function for each lattice site.

Definition at line 25 of file InterferenceFunction2DSuperLattice.h.

Constructor & Destructor Documentation

◆ InterferenceFunction2DSuperLattice() [1/2]

InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice ( const Lattice2D lattice,
unsigned  size_1,
unsigned  size_2 
)

Definition at line 24 of file InterferenceFunction2DSuperLattice.cpp.

28  , m_integrate_xi(false)
29  , m_substructure(nullptr)
30  , m_size_1(size_1)
31  , m_size_2(size_2)
32 {
33  setName("Interference2DSuperLattice");
34  m_lattice.reset(lattice.clone());
35  registerChild(m_lattice.get());
37 }
IInterferenceFunction(const NodeMeta &meta, const std::vector< double > &PValues)
void registerChild(INode *node)
Definition: INode.cpp:57
void setName(const std::string &name)
unsigned m_size_2
Size of the finite lattice in lattice units.
void setSubstructureIFF(const IInterferenceFunction &sub_iff)
std::unique_ptr< IInterferenceFunction > m_substructure
IFF of substructure.
bool m_integrate_xi
Integrate over the orientation xi.
Default interference function (i.e.
virtual Lattice2D * clone() const =0

References Lattice2D::clone(), lattice(), m_lattice, INode::registerChild(), IParametricComponent::setName(), and setSubstructureIFF().

Referenced by clone().

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◆ InterferenceFunction2DSuperLattice() [2/2]

InterferenceFunction2DSuperLattice::InterferenceFunction2DSuperLattice ( double  length_1,
double  length_2,
double  alpha,
double  xi,
unsigned  size_1,
unsigned  size_2 
)

Constructor of two-dimensional interference function.

Parameters
length_1length of first lattice vector in nanometers
length_2length of second lattice vector in nanometers
alphaangle between lattice vectors in radians
xirotation of lattice with respect to x-axis (beam direction) in radians
size_1correlation length in direction 1
size_2correlation length in direction 2

Definition at line 46 of file InterferenceFunction2DSuperLattice.cpp.

48  : InterferenceFunction2DSuperLattice(BasicLattice2D(length_1, length_2, alpha, xi), size_1,
49  size_2)
50 {
51 }
A two-dimensional Bravais lattice with no special symmetry.
Definition: Lattice2D.h:53
InterferenceFunction2DSuperLattice(const Lattice2D &lattice, unsigned size_1, unsigned size_2)

◆ ~InterferenceFunction2DSuperLattice()

InterferenceFunction2DSuperLattice::~InterferenceFunction2DSuperLattice ( )
overridedefault

Member Function Documentation

◆ accept()

void InterferenceFunction2DSuperLattice::accept ( INodeVisitor visitor) const
inlineoverridevirtual

Calls the INodeVisitor's visit method.

Implements INode.

Definition at line 34 of file InterferenceFunction2DSuperLattice.h.

34 { visitor->visit(this); }
virtual void visit(const BasicLattice2D *)
Definition: INodeVisitor.h:151

References INodeVisitor::visit().

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◆ clone()

InterferenceFunction2DSuperLattice * InterferenceFunction2DSuperLattice::clone ( ) const
overridevirtual

Returns a clone of this ISampleNode object.

Implements IInterferenceFunction.

Definition at line 55 of file InterferenceFunction2DSuperLattice.cpp.

56 {
58  ret->setPositionVariance(m_position_var);
59  ret->setSubstructureIFF(*m_substructure);
60  ret->setIntegrationOverXi(integrationOverXi());
61  return ret;
62 }

References InterferenceFunction2DSuperLattice(), integrationOverXi(), m_lattice, IInterferenceFunction::m_position_var, m_size_1, m_size_2, and m_substructure.

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◆ containedMaterials()

std::vector< const Material * > ISampleNode::containedMaterials ( ) const
inherited

Returns set of unique materials contained in this ISampleNode.

Definition at line 26 of file ISampleNode.cpp.

27 {
28  std::vector<const Material*> result;
29  if (const Material* p_material = material())
30  result.push_back(p_material);
31  for (const auto* child : getChildren()) {
32  if (const ISampleNode* sample = dynamic_cast<const ISampleNode*>(child)) {
33  for (const Material* p_material : sample->containedMaterials())
34  result.push_back(p_material);
35  }
36  }
37  return result;
38 }
virtual std::vector< const INode * > getChildren() const
Returns a vector of children.
Definition: INode.cpp:63
Abstract base class for sample components and properties related to scattering.
Definition: ISampleNode.h:28
virtual const Material * material() const
Returns nullptr, unless overwritten to return a specific material.
Definition: ISampleNode.h:37
A wrapper for underlying material implementation.
Definition: Material.h:29

References INode::getChildren(), and ISampleNode::material().

Referenced by MultiLayerUtils::ContainsCompatibleMaterials(), SampleToPython::initLabels(), and ISampleNode::isMagnetic().

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◆ copyNumber()

int INode::copyNumber ( const INode node) const
inherited

Returns copyNumber of child, which takes into account existence of children with same name.

Definition at line 94 of file INode.cpp.

95 {
96  if (node->parent() != this)
97  return -1;
98 
99  int result(-1), count(0);
100  for (auto child : getChildren()) {
101 
102  if (child == nullptr)
103  throw std::runtime_error("INode::copyNumber() -> Error. Nullptr as child.");
104 
105  if (child == node)
106  result = count;
107 
108  if (child->getName() == node->getName())
109  ++count;
110  }
111 
112  return count > 1 ? result : -1;
113 }
const INode * parent() const
Definition: INode.cpp:84
const std::string & getName() const

References INode::getChildren(), IParametricComponent::getName(), and INode::parent().

Referenced by INode::displayName().

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◆ createParameterTree()

ParameterPool * INode::createParameterTree ( ) const
virtualinherited

Creates new parameter pool, with all local parameters and those of its children.

Reimplemented from IParametricComponent.

Definition at line 126 of file INode.cpp.

127 {
128  std::unique_ptr<ParameterPool> result(new ParameterPool);
129 
130  for (const INode* child : progeny()) {
131  const std::string path = NodeUtils::nodePath(child, parent()) + "/";
132  child->parameterPool()->copyToExternalPool(path, result.get());
133  }
134 
135  return result.release();
136 }
Base class for tree-like structures containing parameterized objects.
Definition: INode.h:49
std::vector< const INode * > progeny() const
Returns a vector of all descendants.
Definition: INode.cpp:68
Container with parameters for IParametricComponent object.
Definition: ParameterPool.h:29
std::string nodePath(const INode *node, const INode *root=nullptr)
Returns path composed of node's displayName, with respect to root node.
Definition: NodeUtils.cpp:89

References NodeUtils::nodePath(), INode::parent(), and INode::progeny().

Referenced by ISimulation::runSimulation(), DepthProbeSimulation::validateParametrization(), OffSpecularSimulation::validateParametrization(), and SpecularSimulation::validateParametrization().

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◆ displayName()

std::string INode::displayName ( ) const
inherited

Returns display name, composed from the name of node and it's copy number.

Definition at line 115 of file INode.cpp.

116 {
117  std::string result = getName();
118  if (m_parent) {
119  int index = m_parent->copyNumber(this);
120  if (index >= 0)
121  result = result + std::to_string(index);
122  }
123  return result;
124 }
const INode * m_parent
Definition: INode.h:83
int copyNumber(const INode *node) const
Returns copyNumber of child, which takes into account existence of children with same name.
Definition: INode.cpp:94

References INode::copyNumber(), IParametricComponent::getName(), and INode::m_parent.

Referenced by NodeUtils::nodePath().

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◆ domainSize1()

unsigned InterferenceFunction2DSuperLattice::domainSize1 ( ) const
inline

Definition at line 40 of file InterferenceFunction2DSuperLattice.h.

40 { return m_size_1; }

References m_size_1.

◆ domainSize2()

unsigned InterferenceFunction2DSuperLattice::domainSize2 ( ) const
inline

Definition at line 41 of file InterferenceFunction2DSuperLattice.h.

41 { return m_size_2; }

References m_size_2.

◆ DWfactor()

double IInterferenceFunction::DWfactor ( kvector_t  q) const
inherited

Evaluates the Debye-Waller factor for a given wavevector transfer.

Definition at line 48 of file IInterferenceFunction.cpp.

49 {
50  // remove z component for two dimensional interference functions:
51  if (supportsMultilayer())
52  q.setZ(0.0);
53  return std::exp(-q.mag2() * m_position_var);
54 }
double mag2() const
Returns magnitude squared of the vector.
void setZ(const T &a)
Sets z-component in cartesian coordinate system.
Definition: BasicVector3D.h:74
virtual bool supportsMultilayer() const
Indicates if this interference function can be used with a multilayer (DWBA mode)

References IInterferenceFunction::m_position_var, BasicVector3D< T >::mag2(), BasicVector3D< T >::setZ(), and IInterferenceFunction::supportsMultilayer().

Referenced by IInterferenceFunction::iff_no_inner().

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◆ evaluate()

double InterferenceFunction2DSuperLattice::evaluate ( const kvector_t  q,
double  outer_iff = 1.0 
) const
overridevirtual

Evaluates the interference function for a given wavevector transfer.

Reimplemented from IInterferenceFunction.

Definition at line 75 of file InterferenceFunction2DSuperLattice.cpp.

76 {
77  m_outer_iff = outer_iff;
78  m_qx = q.x();
79  m_qy = q.y();
80  if (!m_integrate_xi)
81  return interferenceForXi(m_lattice->rotationAngle());
82  return RealIntegrator().integrate([&](double xi) -> double { return interferenceForXi(xi); },
83  0.0, M_TWOPI)
84  / M_TWOPI;
85 }
#define M_TWOPI
Definition: Constants.h:54
T y() const
Returns y-component in cartesian coordinate system.
Definition: BasicVector3D.h:65
T x() const
Returns x-component in cartesian coordinate system.
Definition: BasicVector3D.h:63
To integrate a real function of a real variable.
Definition: IntegratorGK.h:28
double integrate(const std::function< double(double)> &f, double lmin, double lmax)

References RealIntegrator::integrate(), interferenceForXi(), m_integrate_xi, m_lattice, m_outer_iff, m_qx, m_qy, M_TWOPI, BasicVector3D< T >::x(), and BasicVector3D< T >::y().

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◆ getChildren()

std::vector< const INode * > InterferenceFunction2DSuperLattice::getChildren ( ) const
overridevirtual

Returns a vector of children.

Reimplemented from INode.

Definition at line 101 of file InterferenceFunction2DSuperLattice.cpp.

102 {
103  return std::vector<const INode*>() << m_lattice << m_substructure;
104 }

References m_lattice, and m_substructure.

◆ getName()

◆ getParticleDensity()

virtual double IInterferenceFunction::getParticleDensity ( ) 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 InterferenceFunctionHardDisk, InterferenceFunctionFinite2DLattice, InterferenceFunction2DParaCrystal, and InterferenceFunction2DLattice.

Definition at line 43 of file IInterferenceFunction.h.

43 { return 0.0; }

◆ iff_no_inner()

double IInterferenceFunction::iff_no_inner ( const kvector_t  q,
double  outer_iff 
) const
protectedinherited

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

Definition at line 56 of file IInterferenceFunction.cpp.

57 {
58  return DWfactor(q) * (iff_without_dw(q) * outer_iff - 1.0) + 1.0;
59 }
double DWfactor(kvector_t q) const
Evaluates the Debye-Waller factor for a given wavevector transfer.
virtual double iff_without_dw(const kvector_t q) const =0
Calculates the structure factor without Debye-Waller factor.

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

Referenced by IInterferenceFunction::evaluate(), and interferenceForXi().

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◆ iff_without_dw()

double InterferenceFunction2DSuperLattice::iff_without_dw ( const kvector_t  q) const
overrideprivatevirtual

Calculates the structure factor without Debye-Waller factor.

Implements IInterferenceFunction.

Definition at line 106 of file InterferenceFunction2DSuperLattice.cpp.

107 {
108  using Math::Laue;
109 
110  const double a = m_lattice->length1();
111  const double b = m_lattice->length2();
112  const double xialpha = m_xi + m_lattice->latticeAngle();
113 
114  const double qadiv2 = (q.x() * a * std::cos(m_xi) + q.y() * a * std::sin(m_xi)) / 2.0;
115  const double qbdiv2 = (q.x() * b * std::cos(xialpha) + q.y() * b * std::sin(xialpha)) / 2.0;
116  const double ampl = Laue(qadiv2, m_size_1) * Laue(qbdiv2, m_size_2);
117  return ampl * ampl / (m_size_1 * m_size_2);
118 }
double Laue(const double x, size_t N)
Real Laue function: .
Definition: Functions.cpp:76

References Math::Laue(), m_lattice, m_size_1, m_size_2, m_xi, BasicVector3D< T >::x(), and BasicVector3D< T >::y().

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◆ integrationOverXi()

bool InterferenceFunction2DSuperLattice::integrationOverXi ( ) const
inline

Definition at line 44 of file InterferenceFunction2DSuperLattice.h.

44 { return m_integrate_xi; }

References m_integrate_xi.

Referenced by clone().

◆ interferenceForXi()

double InterferenceFunction2DSuperLattice::interferenceForXi ( double  xi) const
private

Definition at line 120 of file InterferenceFunction2DSuperLattice.cpp.

121 {
122  m_xi = xi; // TODO ASAP don't set as collateratel effect; rm mutable
123  const kvector_t q = kvector_t(m_qx, m_qy, 0.0);
124  const double outer_iff = iff_no_inner(q, m_outer_iff);
125  const double delta_xi = xi - m_lattice->rotationAngle();
126  return m_substructure->evaluate(q.rotatedZ(-delta_xi), outer_iff);
127 }
BasicVector3D< double > kvector_t
Definition: Vectors3D.h:21
BasicVector3D< T > rotatedZ(double a) const
Returns result of rotation around z-axis.
double iff_no_inner(const kvector_t q, double outer_iff) const
Calculates the structure factor in the absence of extra inner structure.

References IInterferenceFunction::iff_no_inner(), m_lattice, m_outer_iff, m_qx, m_qy, m_substructure, m_xi, and BasicVector3D< T >::rotatedZ().

Referenced by evaluate().

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◆ isMagnetic()

bool ISampleNode::isMagnetic ( ) const
inherited

Returns true if there is any magnetic material in this ISampleNode.

Definition at line 40 of file ISampleNode.cpp.

41 {
42  const auto materials = containedMaterials();
43  return std::any_of(materials.cbegin(), materials.cend(),
44  [](const Material* mat) { return mat->isMagneticMaterial(); });
45 }
std::vector< const Material * > containedMaterials() const
Returns set of unique materials contained in this ISampleNode.
Definition: ISampleNode.cpp:26

References ISampleNode::containedMaterials().

Referenced by ProcessedSample::initLayouts().

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◆ lattice()

const Lattice2D & InterferenceFunction2DSuperLattice::lattice ( ) const

Definition at line 93 of file InterferenceFunction2DSuperLattice.cpp.

94 {
95  if (!m_lattice)
96  throw std::runtime_error("InterferenceFunctionFinite2DLattice::lattice() -> Error. "
97  "No lattice defined.");
98  return *m_lattice;
99 }

References m_lattice.

Referenced by InterferenceFunction2DSuperLattice().

◆ material()

virtual const Material* ISampleNode::material ( ) const
inlinevirtualinherited

◆ onChange()

◆ parameter()

RealParameter * IParametricComponent::parameter ( const std::string &  name) const
inherited

Returns parameter with given 'name'.

Definition at line 86 of file IParametricComponent.cpp.

87 {
88  return m_pool->parameter(name);
89 }
std::unique_ptr< ParameterPool > m_pool
parameter pool (kind of pointer-to-implementation)
QString const & name(EShape k)
Definition: particles.cpp:21

References IParametricComponent::m_pool, and RealSpace::Particles::name().

Referenced by DepthProbeSimulation::initialize(), SpecularSimulation::initialize(), Lattice3D::initialize(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), IParticle::registerPosition(), Layer::registerThickness(), Lattice2D::setRotationEnabled(), and DistributionLogNormal::setUnits().

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◆ parameterPool()

ParameterPool* IParametricComponent::parameterPool ( ) const
inlineinherited

Returns pointer to the parameter pool.

Definition at line 39 of file IParametricComponent.h.

39 { return m_pool.get(); } // has non-const usages!

References IParametricComponent::m_pool.

Referenced by INode::INode(), IParametricComponent::IParametricComponent(), pyfmt2::argumentList(), SampleBuilderNode::borrow_builder_parameters(), SampleBuilderNode::reset(), and IDistribution1D::setUnits().

◆ parametersToString()

std::string IParametricComponent::parametersToString ( ) const
inherited

Returns multiline string representing available parameters.

Definition at line 43 of file IParametricComponent.cpp.

44 {
45  std::ostringstream result;
46  std::unique_ptr<ParameterPool> P_pool(createParameterTree());
47  result << *P_pool << "\n";
48  return result.str();
49 }
virtual ParameterPool * createParameterTree() const
Creates new parameter pool, with all local parameters and those of its children.

References IParametricComponent::createParameterTree().

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◆ parent() [1/2]

INode * INode::parent ( )
inherited

Definition at line 89 of file INode.cpp.

90 {
91  return const_cast<INode*>(m_parent);
92 }

References INode::m_parent.

◆ parent() [2/2]

◆ positionVariance()

double IInterferenceFunction::positionVariance ( ) const
inlineinherited

Returns the position variance.

Definition at line 39 of file IInterferenceFunction.h.

39 { return m_position_var; }

References IInterferenceFunction::m_position_var.

Referenced by TransformFromDomain::setFinite2DLatticeItem().

◆ progeny()

std::vector< const INode * > INode::progeny ( ) const
inherited

Returns a vector of all descendants.

Definition at line 68 of file INode.cpp.

69 {
70  std::vector<const INode*> result;
71  result.push_back(this);
72  for (const auto* child : getChildren()) {
73  for (const auto* p : child->progeny())
74  result.push_back(p);
75  }
76  return result;
77 }

References INode::getChildren().

Referenced by INode::createParameterTree(), and ParticleDistribution::generateParticles().

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◆ registerChild()

void INode::registerChild ( INode node)
inherited

Definition at line 57 of file INode.cpp.

58 {
59  ASSERT(node);
60  node->setParent(this);
61 }
#define ASSERT(condition)
Definition: Assert.h:31
virtual void setParent(const INode *newParent)
Definition: INode.cpp:79

References ASSERT, and INode::setParent().

Referenced by Beam::Beam(), Crystal::Crystal(), IDetector::IDetector(), Instrument::Instrument(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), Particle::Particle(), ParticleDistribution::ParticleDistribution(), ParticleLayout::addAndRegisterAbstractParticle(), ParticleCoreShell::addAndRegisterCore(), MultiLayer::addAndRegisterInterface(), MultiLayer::addAndRegisterLayer(), ParticleCoreShell::addAndRegisterShell(), Layer::addLayout(), ParticleComposition::addParticlePointer(), ISimulation::initialize(), MesoCrystal::initialize(), Beam::operator=(), Instrument::operator=(), IParticle::rotate(), ParticleLayout::setAndRegisterInterferenceFunction(), ISimulation::setBackground(), InterferenceFunction1DLattice::setDecayFunction(), InterferenceFunction2DLattice::setDecayFunction(), Instrument::setDetector(), IDetector::setDetectorResolution(), Beam::setFootprintFactor(), Particle::setFormFactor(), InterferenceFunctionFinite3DLattice::setLattice(), InterferenceFunctionRadialParaCrystal::setProbabilityDistribution(), InterferenceFunction2DParaCrystal::setProbabilityDistributions(), ConvolutionDetectorResolution::setResolutionFunction(), IParticle::setRotation(), LayerInterface::setRoughness(), and setSubstructureIFF().

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◆ registerParameter()

RealParameter & IParametricComponent::registerParameter ( const std::string &  name,
double *  parpointer 
)
inherited

Definition at line 51 of file IParametricComponent.cpp.

52 {
53  return m_pool->addParameter(
54  new RealParameter(name, data, getName(), [&]() -> void { onChange(); }));
55 }
virtual void onChange()
Action to be taken in inherited class when a parameter has changed.
Wraps a parameter of type double.
Definition: RealParameter.h:31

References IParametricComponent::getName(), IParametricComponent::m_pool, RealSpace::Particles::name(), and IParametricComponent::onChange().

Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), CylindersInBABuilder::CylindersInBABuilder(), DetectionProperties::DetectionProperties(), HexagonalLattice2D::HexagonalLattice2D(), IInterferenceFunction::IInterferenceFunction(), INode::INode(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), Lattice2D::Lattice2D(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleDistribution::ParticleDistribution(), PlainMultiLayerBySLDBuilder::PlainMultiLayerBySLDBuilder(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), ResonatorBuilder::ResonatorBuilder(), SquareLattice2D::SquareLattice2D(), TriangularRippleBuilder::TriangularRippleBuilder(), IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::registerVector(), ParticleLayout::registerWeight(), and Lattice2D::setRotationEnabled().

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◆ registerVector()

void IParametricComponent::registerVector ( const std::string &  base_name,
kvector_t p_vec,
const std::string &  units = "nm" 
)
inherited

Definition at line 57 of file IParametricComponent.cpp.

59 {
60  registerParameter(XComponentName(base_name), &((*p_vec)[0])).setUnit(units);
61  registerParameter(YComponentName(base_name), &((*p_vec)[1])).setUnit(units);
62  registerParameter(ZComponentName(base_name), &((*p_vec)[2])).setUnit(units);
63 }
static std::string XComponentName(const std::string &base_name)
static std::string ZComponentName(const std::string &base_name)
RealParameter & registerParameter(const std::string &name, double *parpointer)
static std::string YComponentName(const std::string &base_name)
RealParameter & setUnit(const std::string &name)
MVVM_MODEL_EXPORT std::string base_name(const std::string &path)
Provide the filename of a file path.
Definition: fileutils.cpp:78

References ModelView::Utils::base_name(), IParametricComponent::registerParameter(), RealParameter::setUnit(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().

Referenced by Beam::Beam(), DetectionProperties::DetectionProperties(), InterferenceFunctionTwin::InterferenceFunctionTwin(), MultiLayer::MultiLayer(), Lattice3D::initialize(), and IParticle::registerPosition().

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◆ removeParameter()

void IParametricComponent::removeParameter ( const std::string &  name)
inherited

Definition at line 91 of file IParametricComponent.cpp.

92 {
93  m_pool->removeParameter(name);
94 }

References IParametricComponent::m_pool, and RealSpace::Particles::name().

Referenced by IParticle::registerAbundance(), ParticleLayout::registerParticleDensity(), Layer::registerThickness(), IParametricComponent::removeVector(), and Lattice2D::setRotationEnabled().

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◆ removeVector()

void IParametricComponent::removeVector ( const std::string &  base_name)
inherited

Definition at line 96 of file IParametricComponent.cpp.

References ModelView::Utils::base_name(), IParametricComponent::removeParameter(), IParametricComponent::XComponentName(), IParametricComponent::YComponentName(), and IParametricComponent::ZComponentName().

Referenced by IParticle::registerPosition().

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◆ setIntegrationOverXi()

void InterferenceFunction2DSuperLattice::setIntegrationOverXi ( bool  integrate_xi)

Definition at line 87 of file InterferenceFunction2DSuperLattice.cpp.

88 {
89  m_integrate_xi = integrate_xi;
90  m_lattice->setRotationEnabled(!m_integrate_xi); // deregister Xi in the case of integration
91 }

References m_integrate_xi, and m_lattice.

◆ setName()

void IParametricComponent::setName ( const std::string &  name)
inlineinherited

Definition at line 69 of file IParametricComponent.h.

69 { m_name = name; }

References IParametricComponent::m_name, and RealSpace::Particles::name().

Referenced by BasicLattice2D::BasicLattice2D(), Beam::Beam(), ConvolutionDetectorResolution::ConvolutionDetectorResolution(), Crystal::Crystal(), DetectionProperties::DetectionProperties(), DistributionHandler::DistributionHandler(), FormFactorCoreShell::FormFactorCoreShell(), FormFactorCrystal::FormFactorCrystal(), FormFactorDecoratorMaterial::FormFactorDecoratorMaterial(), FormFactorDecoratorPositionFactor::FormFactorDecoratorPositionFactor(), FormFactorDecoratorRotation::FormFactorDecoratorRotation(), FormFactorWeighted::FormFactorWeighted(), HexagonalLattice2D::HexagonalLattice2D(), IDetector::IDetector(), INode::INode(), Instrument::Instrument(), InterferenceFunction1DLattice::InterferenceFunction1DLattice(), InterferenceFunction2DLattice::InterferenceFunction2DLattice(), InterferenceFunction2DParaCrystal::InterferenceFunction2DParaCrystal(), InterferenceFunction2DSuperLattice(), InterferenceFunction3DLattice::InterferenceFunction3DLattice(), InterferenceFunctionFinite2DLattice::InterferenceFunctionFinite2DLattice(), InterferenceFunctionFinite3DLattice::InterferenceFunctionFinite3DLattice(), InterferenceFunctionHardDisk::InterferenceFunctionHardDisk(), InterferenceFunctionNone::InterferenceFunctionNone(), InterferenceFunctionRadialParaCrystal::InterferenceFunctionRadialParaCrystal(), InterferenceFunctionTwin::InterferenceFunctionTwin(), ISampleBuilder::ISampleBuilder(), IsGISAXSDetector::IsGISAXSDetector(), Lattice3D::Lattice3D(), Layer::Layer(), LayerInterface::LayerInterface(), LayerRoughness::LayerRoughness(), MultiLayer::MultiLayer(), ParticleCoreShell::ParticleCoreShell(), ParticleDistribution::ParticleDistribution(), ParticleLayout::ParticleLayout(), RectangularDetector::RectangularDetector(), ResolutionFunction2DGaussian::ResolutionFunction2DGaussian(), SampleBuilderNode::SampleBuilderNode(), SphericalDetector::SphericalDetector(), SquareLattice2D::SquareLattice2D(), Layer::clone(), LayersWithAbsorptionBuilder::createSampleByIndex(), Basic2DParaCrystalBuilder::createSampleByIndex(), ParticleInVacuumBuilder::createSampleByIndex(), SimpleMagneticRotationBuilder::createSampleByIndex(), DepthProbeSimulation::initialize(), GISASSimulation::initialize(), OffSpecularSimulation::initialize(), SpecularSimulation::initialize(), SpecularDetector1D::initialize(), MesoCrystal::initialize(), Particle::initialize(), ParticleComposition::initialize(), Beam::operator=(), SampleBuilderNode::operator=(), SampleBuilderNode::reset(), and SampleBuilderNode::setSBN().

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◆ setParameterValue()

void IParametricComponent::setParameterValue ( const std::string &  name,
double  value 
)
inherited

Definition at line 65 of file IParametricComponent.cpp.

66 {
67  if (name.find('*') == std::string::npos && name.find('/') == std::string::npos) {
68  m_pool->setParameterValue(name, value);
69  } else {
70  std::unique_ptr<ParameterPool> P_pool{createParameterTree()};
71  if (name.find('*') != std::string::npos)
72  P_pool->setMatchedParametersValue(name, value);
73  else
74  P_pool->setParameterValue(name, value);
75  }
76 }
int setMatchedParametersValue(const std::string &wildcards, double value)
Sets value of the nonzero parameters that match pattern ('*' allowed), or throws.

References IParametricComponent::createParameterTree(), IParametricComponent::m_pool, RealSpace::Particles::name(), and ParameterPool::setMatchedParametersValue().

Referenced by AsymRippleBuilder::buildSample(), and IParametricComponent::setVectorValue().

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◆ setParent()

void INode::setParent ( const INode newParent)
virtualinherited

Reimplemented in SampleProvider.

Definition at line 79 of file INode.cpp.

80 {
81  m_parent = newParent;
82 }

References INode::m_parent.

Referenced by INode::registerChild(), SampleProvider::setBuilder(), and SampleProvider::setParent().

◆ setPositionVariance()

void IInterferenceFunction::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 IInterferenceFunction.cpp.

41 {
42  if (var < 0.0)
43  throw std::runtime_error("IInterferenceFunction::setPositionVariance: "
44  "variance should be positive.");
45  m_position_var = var;
46 }

References IInterferenceFunction::m_position_var.

Referenced by FiniteSquareLattice2DBuilder::buildSample(), SuperLatticeBuilder::buildSample(), and InterferenceFunctionItem::setPositionVariance().

◆ setSubstructureIFF()

void InterferenceFunction2DSuperLattice::setSubstructureIFF ( const IInterferenceFunction sub_iff)

Definition at line 64 of file InterferenceFunction2DSuperLattice.cpp.

65 {
66  m_substructure.reset(sub_iff.clone());
68 }
virtual IInterferenceFunction * clone() const =0
Returns a clone of this ISampleNode object.

References IInterferenceFunction::clone(), m_substructure, and INode::registerChild().

Referenced by InterferenceFunction2DSuperLattice(), and SuperLatticeBuilder::buildSample().

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◆ setVectorValue()

void IParametricComponent::setVectorValue ( const std::string &  base_name,
kvector_t  value 
)
inherited

Definition at line 78 of file IParametricComponent.cpp.

79 {
83 }
T z() const
Returns z-component in cartesian coordinate system.
Definition: BasicVector3D.h:67
void setParameterValue(const std::string &name, double value)

References ModelView::Utils::base_name(), IParametricComponent::setParameterValue(), BasicVector3D< T >::x(), IParametricComponent::XComponentName(), BasicVector3D< T >::y(), IParametricComponent::YComponentName(), BasicVector3D< T >::z(), and IParametricComponent::ZComponentName().

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◆ substructureIFF()

const IInterferenceFunction & InterferenceFunction2DSuperLattice::substructureIFF ( ) const

Definition at line 70 of file InterferenceFunction2DSuperLattice.cpp.

71 {
72  return *m_substructure;
73 }

References m_substructure.

◆ supportsMultilayer()

virtual bool IInterferenceFunction::supportsMultilayer ( ) const
inlinevirtualinherited

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

Reimplemented in InterferenceFunctionFinite3DLattice, and InterferenceFunction3DLattice.

Definition at line 46 of file IInterferenceFunction.h.

46 { return true; }

Referenced by IInterferenceFunction::DWfactor().

◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )
inlinevirtualinherited

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

Definition at line 34 of file ICloneable.h.

◆ treeToString()

std::string INode::treeToString ( ) const
virtualinherited

Returns multiline string representing tree structure below the node.

Definition at line 52 of file INode.cpp.

53 {
54  return NodeUtils::nodeToString(this);
55 }
std::string nodeToString(const INode *node)
Returns multiline string representing tree structure starting from given node.
Definition: NodeUtils.cpp:81

References NodeUtils::nodeToString().

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◆ XComponentName()

std::string IParametricComponent::XComponentName ( const std::string &  base_name)
staticinherited

Definition at line 103 of file IParametricComponent.cpp.

104 {
105  return base_name + "X";
106 }

References ModelView::Utils::base_name().

Referenced by Lattice3D::initialize(), IParticle::registerPosition(), IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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◆ YComponentName()

std::string IParametricComponent::YComponentName ( const std::string &  base_name)
staticinherited

Definition at line 108 of file IParametricComponent.cpp.

109 {
110  return base_name + "Y";
111 }

References ModelView::Utils::base_name().

Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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◆ ZComponentName()

std::string IParametricComponent::ZComponentName ( const std::string &  base_name)
staticinherited

Definition at line 113 of file IParametricComponent.cpp.

114 {
115  return base_name + "Z";
116 }

References ModelView::Utils::base_name().

Referenced by IParametricComponent::registerVector(), IParametricComponent::removeVector(), IParametricComponent::setVectorValue(), and VectorParameterTranslator::translate().

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Member Data Documentation

◆ m_integrate_xi

bool InterferenceFunction2DSuperLattice::m_integrate_xi
private

Integrate over the orientation xi.

Definition at line 55 of file InterferenceFunction2DSuperLattice.h.

Referenced by evaluate(), integrationOverXi(), and setIntegrationOverXi().

◆ m_lattice

std::unique_ptr<Lattice2D> InterferenceFunction2DSuperLattice::m_lattice
private

◆ m_name

std::string IParametricComponent::m_name
privateinherited

◆ m_NP

const size_t INode::m_NP
protectedinherited

Definition at line 88 of file INode.h.

Referenced by INode::INode().

◆ m_outer_iff

double InterferenceFunction2DSuperLattice::m_outer_iff
mutableprivate

Definition at line 59 of file InterferenceFunction2DSuperLattice.h.

Referenced by evaluate(), and interferenceForXi().

◆ m_P

std::vector<double> INode::m_P
protectedinherited

Definition at line 89 of file INode.h.

Referenced by INode::INode(), and IFootprintFactor::setWidthRatio().

◆ m_parent

const INode* INode::m_parent {nullptr}
privateinherited

Definition at line 83 of file INode.h.

Referenced by INode::displayName(), INode::parent(), and INode::setParent().

◆ m_pool

◆ m_position_var

◆ m_qx

double InterferenceFunction2DSuperLattice::m_qx
mutableprivate

Definition at line 60 of file InterferenceFunction2DSuperLattice.h.

Referenced by evaluate(), and interferenceForXi().

◆ m_qy

double InterferenceFunction2DSuperLattice::m_qy
mutableprivate

Definition at line 61 of file InterferenceFunction2DSuperLattice.h.

Referenced by evaluate(), and interferenceForXi().

◆ m_size_1

unsigned InterferenceFunction2DSuperLattice::m_size_1
private

Definition at line 58 of file InterferenceFunction2DSuperLattice.h.

Referenced by clone(), domainSize1(), and iff_without_dw().

◆ m_size_2

unsigned InterferenceFunction2DSuperLattice::m_size_2
private

Size of the finite lattice in lattice units.

Definition at line 58 of file InterferenceFunction2DSuperLattice.h.

Referenced by clone(), domainSize2(), and iff_without_dw().

◆ m_substructure

std::unique_ptr<IInterferenceFunction> InterferenceFunction2DSuperLattice::m_substructure
private

IFF of substructure.

Definition at line 57 of file InterferenceFunction2DSuperLattice.h.

Referenced by clone(), getChildren(), interferenceForXi(), setSubstructureIFF(), and substructureIFF().

◆ m_xi

double InterferenceFunction2DSuperLattice::m_xi
mutableprivate

Definition at line 62 of file InterferenceFunction2DSuperLattice.h.

Referenced by iff_without_dw(), and interferenceForXi().


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