BornAgain  1.19.79
Open-source research software to simulate and fit neutron and x-ray reflectometry and grazing-incidence small-angle scattering
CosineRippleGauss Class Reference

Description

The form factor for a cosine ripple, with Gaussian profile in elongation direction.

Definition at line 44 of file CosineRipple.h.

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Public Member Functions

 CosineRippleGauss (double length, double width, double height)
 
 CosineRippleGauss (std::vector< double > P)
 
virtual double bottomZ (const IRotation *rotation) const
 
virtual bool canSliceAnalytically (const IRotation *rot) const
 Default implementation only allows rotations along z-axis. More...
 
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...
 
CosineRippleGaussclone () 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...
 
complex_t formfactor_at_bottom (C3 q) const override
 
virtual SpinMatrix formfactor_pol (C3 q) const
 Returns scattering amplitude for complex scattering wavevector q=k_i-k_f in case of matrix interactions. Default implementation calls formfactor_at_bottom(q) and multiplies with the unit matrix. More...
 
double height () const
 
bool isMagnetic () const
 Returns true if there is any magnetic material in this ISampleNode. More...
 
double length () const
 
virtual const Materialmaterial () const
 Returns nullptr, unless overwritten to return a specific material. More...
 
virtual std::vector< const INode * > nodeChildren () const
 Returns all children. More...
 
std::vector< const INode * > nodeOffspring () const
 Returns all descendants. More...
 
std::vector< ParaMetaparDefs () const final
 Returns the parameter definitions, to be hard-coded in each leaf class. More...
 
virtual std::string pythonConstructor () const
 Creates the Python constructor of this class (or derived classes) More...
 
double radialExtension () const override
 Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations. More...
 
std::string shapeName () const
 
virtual complex_t theFF (const WavevectorInfo &wavevectors) const
 
virtual SpinMatrix thePolFF (const WavevectorInfo &wavevectors) const
 
virtual double topZ (const IRotation *rotation) const
 
virtual void transferToCPP ()
 Used for Python overriding of clone (see swig/tweaks.py) More...
 
virtual double volume () const
 
double width () const
 

Protected Attributes

const double & m_height
 
const double & m_length
 
std::vector< double > m_P
 
std::unique_ptr< IShape3Dm_shape3D
 IShape3D object, used to retrieve vertices (which may be approximate in the case of round shapes). For soft particles, this will be a hard mean shape. More...
 
const double & m_width
 

Private Member Functions

complex_t factor_x (complex_t qx) const override
 
complex_t factor_yz (complex_t qy, complex_t qz) const override
 Complex form factor. More...
 

Constructor & Destructor Documentation

◆ CosineRippleGauss() [1/2]

CosineRippleGauss::CosineRippleGauss ( double  length,
double  width,
double  height 
)

Definition at line 53 of file CosineRipple.cpp.

54  : CosineRippleGauss(std::vector<double>{length, width, height})
55 {
56 }
CosineRippleGauss(double length, double width, double height)
double width() const
double height() const
double length() const

References IProfileRipple::height(), IProfileRipple::length(), and IProfileRipple::width().

Referenced by clone().

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◆ CosineRippleGauss() [2/2]

CosineRippleGauss::CosineRippleGauss ( std::vector< double >  P)

Definition at line 47 of file CosineRipple.cpp.

48  : ICosineRipple(P)
49 {
50  checkNodeArgs();
51 }
ICosineRipple(const std::vector< double > &PValues)
void checkNodeArgs() const
Raises exception if a parameter value is invalid.
Definition: INode.cpp:27

References INode::checkNodeArgs().

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Member Function Documentation

◆ bottomZ()

double IFormFactor::bottomZ ( const IRotation rotation) const
virtualinherited

Reimplemented in Sphere, IFormFactorPrism, and IFormFactorPolyhedron.

Definition at line 50 of file IFormFactor.cpp.

51 {
52  if (!m_shape3D)
53  throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute bottom z");
54  return PolyhedralUtil::BottomZ(m_shape3D->vertices(), rotation);
55 }
std::unique_ptr< IShape3D > m_shape3D
IShape3D object, used to retrieve vertices (which may be approximate in the case of round shapes)....
Definition: IFormFactor.h:74
double BottomZ(const std::vector< R3 > &vertices, const IRotation *rotation)
Calculates the z-coordinate of the lowest vertex after rotation.

References PolyhedralUtil::BottomZ(), and IFormFactor::m_shape3D.

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◆ canSliceAnalytically()

bool IFormFactor::canSliceAnalytically ( const IRotation rot) const
virtualinherited

Default implementation only allows rotations along z-axis.

Reimplemented in Sphere.

Definition at line 64 of file IFormFactor.cpp.

65 {
66  return !rotation || rotation->zInvariant();
67 }

References IRotation::zInvariant().

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◆ checkNodeArgs()

void INode::checkNodeArgs ( ) const
inherited

Raises exception if a parameter value is invalid.

Definition at line 27 of file INode.cpp.

28 {
29  size_t nP = m_P.size();
30  if (parDefs().size() != nP) {
31  std::cerr << "BUG in class " << className() << std::endl;
32  std::cerr << "#m_P = " << nP << std::endl;
33  std::cerr << "#PDf = " << parDefs().size() << std::endl;
34  for (const ParaMeta& pm : parDefs())
35  std::cerr << " PDf: " << pm.name << std::endl;
36  ASSERT(0);
37  }
38  ASSERT(parDefs().size() == nP);
39  for (size_t i = 0; i < nP; ++i) {
40  const ParaMeta pm = parDefs()[i];
41 
43  if (pm.vMin == -INF) {
44  ASSERT(pm.vMax == +INF);
45  // nothing to do
46  } else if (pm.vMax == +INF) {
47  ASSERT(pm.vMin == 0);
48  limits = RealLimits::nonnegative();
49  } else {
50  limits = RealLimits::limited(pm.vMin, pm.vMax);
51  }
52  limits.check(pm.name, m_P[i]);
53  }
54 }
#define ASSERT(condition)
Definition: Assert.h:45
const double INF
Definition: INode.h:26
virtual std::vector< ParaMeta > parDefs() const
Returns the parameter definitions, to be hard-coded in each leaf class.
Definition: INode.h:51
std::vector< double > m_P
Definition: INode.h:63
virtual std::string className() const =0
Returns the class name, to be hard-coded in each leaf class that inherits from INode.
Limits for a real fit parameter.
Definition: RealLimits.h:24
static RealLimits limitless()
Creates an object without bounds (default)
Definition: RealLimits.cpp:139
void check(const std::string &name, double value) const
Throws if value is outside limits. Parameter 'name' is for exception message.
Definition: RealLimits.cpp:170
static RealLimits nonnegative()
Creates an object which can have only positive values with 0. included.
Definition: RealLimits.cpp:124
static RealLimits limited(double left_bound_value, double right_bound_value)
Creates an object bounded from the left and right.
Definition: RealLimits.cpp:134
Metadata of one model parameter.
Definition: INode.h:29
double vMin
Definition: INode.h:33
double vMax
Definition: INode.h:34
std::string name
Definition: INode.h:30

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(), 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 CosineRippleGauss::className ( ) const
inlinefinalvirtual

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

Implements INode.

Definition at line 50 of file CosineRipple.h.

50 { return "CosineRippleGauss"; }

◆ clone()

CosineRippleGauss * CosineRippleGauss::clone ( ) const
overridevirtual

Returns a clone of this ISampleNode object.

Implements IFormFactor.

Definition at line 58 of file CosineRipple.cpp.

59 {
61 }
const double & m_length
const double & m_width
const double & m_height

References CosineRippleGauss(), IProfileRipple::m_height, IProfileRipple::m_length, and IProfileRipple::m_width.

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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 25 of file ISampleNode.cpp.

26 {
27  std::vector<const Material*> result;
28  if (const Material* p_material = material())
29  result.push_back(p_material);
30  for (const auto* child : nodeChildren()) {
31  if (const auto* sample = dynamic_cast<const ISampleNode*>(child)) {
32  for (const Material* p_material : sample->containedMaterials())
33  result.push_back(p_material);
34  }
35  }
36  return result;
37 }
virtual std::vector< const INode * > nodeChildren() const
Returns all children.
Definition: INode.cpp:56
Abstract base class for sample components and properties related to scattering.
Definition: ISampleNode.h:27
virtual const Material * material() const
Returns nullptr, unless overwritten to return a specific material.
Definition: ISampleNode.h:36
A wrapper for underlying material implementation.
Definition: Material.h:35

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

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

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◆ factor_x()

complex_t CosineRippleGauss::factor_x ( complex_t  qx) const
overrideprivatevirtual

Implements IProfileRipple.

Definition at line 63 of file CosineRipple.cpp.

64 {
66 }
complex_t factor_x_Gauss(complex_t q, double l)
Definition: Ripples.cpp:25

References ripples::factor_x_Gauss(), and IProfileRipple::m_length.

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◆ factor_yz()

complex_t ICosineRipple::factor_yz ( complex_t  qy,
complex_t  qz 
) const
overrideprivatevirtualinherited

Complex form factor.

Implements IProfileRipple.

Definition at line 70 of file IProfileRipple.cpp.

71 {
73 }
complex_t profile_yz_cosine(complex_t qy, complex_t qz, double width, double height)
Complex form factor of cosine ripple.
Definition: Ripples.cpp:45

References IProfileRipple::m_height, IProfileRipple::m_width, and ripples::profile_yz_cosine().

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◆ formfactor_at_bottom()

complex_t IProfileRipple::formfactor_at_bottom ( C3  q) const
overridevirtualinherited

Implements IFormFactor.

Definition at line 38 of file IProfileRipple.cpp.

39 {
40  return factor_x(q.x()) * factor_yz(q.y(), q.z());
41 }
virtual complex_t factor_yz(complex_t qy, complex_t qz) const =0
virtual complex_t factor_x(complex_t qx) const =0

References IProfileRipple::factor_x(), and IProfileRipple::factor_yz().

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◆ formfactor_pol()

SpinMatrix IFormFactor::formfactor_pol ( C3  q) const
virtualinherited

Returns scattering amplitude for complex scattering wavevector q=k_i-k_f in case of matrix interactions. Default implementation calls formfactor_at_bottom(q) and multiplies with the unit matrix.

Definition at line 78 of file IFormFactor.cpp.

79 {
81 }
virtual complex_t formfactor_at_bottom(C3 q) const =0
static SpinMatrix One()
Definition: SpinMatrix.cpp:36

References IFormFactor::formfactor_at_bottom(), and SpinMatrix::One().

Referenced by IFormFactor::thePolFF().

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◆ height()

◆ isMagnetic()

bool ISampleNode::isMagnetic ( ) const
inherited

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

Definition at line 39 of file ISampleNode.cpp.

40 {
41  const auto materials = containedMaterials();
42  return std::any_of(materials.cbegin(), materials.cend(),
43  [](const Material* mat) { return mat->isMagneticMaterial(); });
44 }
std::vector< const Material * > containedMaterials() const
Returns set of unique materials contained in this ISampleNode.
Definition: ISampleNode.cpp:25

References ISampleNode::containedMaterials().

Referenced by reSample::make().

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◆ length()

◆ material()

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

Returns nullptr, unless overwritten to return a specific material.

Reimplemented in Particle, and Layer.

Definition at line 36 of file ISampleNode.h.

36 { return nullptr; }

Referenced by ISampleNode::containedMaterials().

◆ nodeChildren()

◆ nodeOffspring()

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

Returns all descendants.

Definition at line 61 of file INode.cpp.

62 {
63  std::vector<const INode*> result;
64  result.push_back(this);
65  for (const auto* child : nodeChildren()) {
66  for (const auto* p : child->nodeOffspring())
67  result.push_back(p);
68  }
69  return result;
70 }

References INode::nodeChildren().

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◆ parDefs()

std::vector<ParaMeta> CosineRippleGauss::parDefs ( ) const
inlinefinalvirtual

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

Reimplemented from INode.

Definition at line 52 of file CosineRipple.h.

53  {
54  return {{"Length", "nm", "Characteristic length", 0, INF, 1.},
55  {"Width", "nm", "Width", 0, INF, 1.},
56  {"Height", "nm", "Height", 0, INF, 1.}};
57  }

References INF.

◆ pythonConstructor()

std::string IFormFactor::pythonConstructor ( ) const
virtualinherited

Creates the Python constructor of this class (or derived classes)

Definition at line 69 of file IFormFactor.cpp.

70 {
71  std::vector<std::pair<double, std::string>> arguments;
72  for (size_t i = 0; i < parDefs().size(); i++)
73  arguments.emplace_back(m_P[i], parDefs()[i].unit);
74 
75  return Py::Fmt::printFunction(className(), arguments);
76 }
std::string printFunction(const std::string &name, const std::vector< std::pair< double, std::string >> &arguments)
Print a function in the form "<name>(<arguments>)". arguments will be processed by printArguments(),...
Definition: PyFmt.cpp:168

References INode::className(), INode::m_P, INode::parDefs(), and Py::Fmt::printFunction().

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◆ radialExtension()

double IProfileRipple::radialExtension ( ) const
overridevirtualinherited

Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations.

Implements IFormFactor.

Definition at line 33 of file IProfileRipple.cpp.

34 {
35  return (m_width + m_length) / 4.0;
36 }

References IProfileRipple::m_length, and IProfileRipple::m_width.

◆ shapeName()

std::string IFormFactor::shapeName ( ) const
inherited

Definition at line 33 of file IFormFactor.cpp.

34 {
35  if (className().substr(0, 10) == "FormFactor")
36  return className().substr(10);
37  return className();
38 }

References INode::className().

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◆ theFF()

complex_t IFormFactor::theFF ( const WavevectorInfo wavevectors) const
virtualinherited

Definition at line 40 of file IFormFactor.cpp.

41 {
42  return formfactor_at_bottom(wavevectors.getQ());
43 }
C3 getQ() const

References IFormFactor::formfactor_at_bottom(), and WavevectorInfo::getQ().

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◆ thePolFF()

SpinMatrix IFormFactor::thePolFF ( const WavevectorInfo wavevectors) const
virtualinherited

Definition at line 45 of file IFormFactor.cpp.

46 {
47  return formfactor_pol(wavevectors.getQ());
48 }
virtual SpinMatrix formfactor_pol(C3 q) const
Returns scattering amplitude for complex scattering wavevector q=k_i-k_f in case of matrix interactio...
Definition: IFormFactor.cpp:78

References IFormFactor::formfactor_pol(), and WavevectorInfo::getQ().

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◆ topZ()

double IFormFactor::topZ ( const IRotation rotation) const
virtualinherited

Reimplemented in Sphere, IFormFactorPrism, and IFormFactorPolyhedron.

Definition at line 57 of file IFormFactor.cpp.

58 {
59  if (!m_shape3D)
60  throw std::runtime_error("Bug: Form factor has no m_shape3D, cannot compute top z");
61  return PolyhedralUtil::TopZ(m_shape3D->vertices(), rotation);
62 }
double TopZ(const std::vector< R3 > &vertices, const IRotation *rotation)
Calculates the z-coordinate of the highest vertex after rotation.

References IFormFactor::m_shape3D, and PolyhedralUtil::TopZ().

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◆ transferToCPP()

virtual void ICloneable::transferToCPP ( )
inlinevirtualinherited

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

Definition at line 32 of file ICloneable.h.

◆ volume()

double IFormFactor::volume ( ) const
virtualinherited

Reimplemented in IFormFactorPrism, IFormFactorPolyhedron, and Box.

Definition at line 83 of file IFormFactor.cpp.

84 {
85  return std::abs(formfactor_at_bottom(C3()));
86 }

References IFormFactor::formfactor_at_bottom().

Referenced by Compute::Slicing::createParticleInSlice().

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◆ width()

Member Data Documentation

◆ m_height

◆ m_length

◆ m_P

◆ m_shape3D

◆ m_width


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