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Simulate and fit neutron and x-ray scattering at grazing incidence
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MaterialBySLDImpl Class Reference
Materials

Material implementation based on wavelength-independent data (valid for a range of wavelengths) More...

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Public Member Functions

virtual ~MaterialBySLDImpl ()=default
 
MaterialBySLDImpl * clone () const override
 Returns pointer to a copy of material. More...
 
const std::string & getName () const
 Returns name of the material. More...
 
MagneticMaterialImpl * inverted () const final
 Constructs a material with inverted magnetization. More...
 
bool isMagneticMaterial () const final
 
bool isScalarMaterial () const final
 Indicates whether the interaction with the material is scalar. More...
 
kvector_t magnetization () const final
 Returns the magnetization (in A/m) More...
 
complex_t materialData () const override
 Returns underlying material data. More...
 
Eigen::Matrix2cd polarizedSubtrSLD (const WavevectorInfo &wavevectors) const final
 Returns ( $ \pi/\lambda^2 $ - sld) matrix with magnetization corrections. More...
 
void print (std::ostream &ostr) const override
 Prints object data. More...
 
complex_t refractiveIndex (double wavelength) const override
 Returns refractive index. More...
 
complex_t refractiveIndex2 (double wavelength) const override
 Returns squared refractive index. More...
 
MagneticMaterialImpl * rotatedMaterial (const Transform3D &transform) const final
 
complex_t scalarSubtrSLD (const WavevectorInfo &wavevectors) const override
 Returns ( $ \pi/\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density. More...
 
MATERIAL_TYPES typeID () const override
 Returns type of material implementation. More...
 

Private Member Functions

 MaterialBySLDImpl (const std::string &name, double sld_real, double sld_imag, kvector_t magnetization)
 Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD). More...
 
void setMagnetization (kvector_t magnetization)
 
complex_t sld () const
 Returns the scattering length density. More...
 

Private Attributes

kvector_t m_magnetization
 magnetization More...
 
const std::string m_name
 
const double m_sld_imag
 imaginary part of scattering length density (negative by default) More...
 
const double m_sld_real
 complex-valued scattering length density More...
 

Friends

Material MaterialBySLD (const std::string &name, double sld_real, double sld_imag, kvector_t magnetization)
 Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD). More...
 

Detailed Description

Material implementation based on wavelength-independent data (valid for a range of wavelengths)

Definition at line 29 of file MaterialBySLDImpl.h.

Constructor & Destructor Documentation

◆ ~MaterialBySLDImpl()

virtual MaterialBySLDImpl::~MaterialBySLDImpl ( )
virtualdefault

◆ MaterialBySLDImpl()

MaterialBySLDImpl::MaterialBySLDImpl ( const std::string &  name,
double  sld_real,
double  sld_imag,
kvector_t  magnetization 
)
private

Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD).

SLD units are $ nm^{-2} $.

Definition at line 28 of file MaterialBySLDImpl.cpp.

30  : MagneticMaterialImpl(name, magnetization)
31  , m_sld_real(sld_real)
32  , m_sld_imag(sld_imag < 0. ? throw std::runtime_error(
33  "The imaginary part of the SLD must be greater or equal zero")
34  : sld_imag)
35 {
36 }
MagneticMaterialImpl::magnetization
kvector_t magnetization() const final
Returns the magnetization (in A/m)
Definition: MagneticMaterialImpl.cpp:61
MagneticMaterialImpl::MagneticMaterialImpl
MagneticMaterialImpl(const std::string &name, kvector_t magnetization)
Constructs basic material with name and magnetization.
Definition: MagneticMaterialImpl.cpp:38
MaterialBySLDImpl::m_sld_imag
const double m_sld_imag
imaginary part of scattering length density (negative by default)
Definition: MaterialBySLDImpl.h:67
MaterialBySLDImpl::m_sld_real
const double m_sld_real
complex-valued scattering length density
Definition: MaterialBySLDImpl.h:66
RealSpace::Particles::name
QString const & name(EShape k)
Definition: particles.cpp:21

Referenced by clone().

Member Function Documentation

◆ clone()

MaterialBySLDImpl * MaterialBySLDImpl::clone ( ) const
overridevirtual

Returns pointer to a copy of material.

Implements MagneticMaterialImpl.

Definition at line 38 of file MaterialBySLDImpl.cpp.

39 {
40  return new MaterialBySLDImpl(*this);
41 }
MaterialBySLDImpl::MaterialBySLDImpl
MaterialBySLDImpl(const std::string &name, double sld_real, double sld_imag, kvector_t magnetization)
Constructs a wavelength-independent material with a given complex-valued scattering length density (S...
Definition: MaterialBySLDImpl.cpp:28

References MaterialBySLDImpl().

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◆ getName()

const std::string& BaseMaterialImpl::getName ( ) const
inlineinherited

Returns name of the material.

Definition at line 81 of file BaseMaterialImpl.h.

81 { return m_name; }
BaseMaterialImpl::m_name
const std::string m_name
Definition: BaseMaterialImpl.h:84

References BaseMaterialImpl::m_name.

Referenced by MagneticMaterialImpl::inverted(), print(), and RefractiveMaterialImpl::print().

◆ inverted()

MagneticMaterialImpl * MagneticMaterialImpl::inverted ( ) const
finalvirtualinherited

Constructs a material with inverted magnetization.

Implements BaseMaterialImpl.

Definition at line 43 of file MagneticMaterialImpl.cpp.

44 {
45  std::string name = isScalarMaterial() ? getName() : getName() + "_inv";
46  MagneticMaterialImpl* result = this->clone();
47  result->setMagnetization(-magnetization());
48  return result;
49 }
BaseMaterialImpl::getName
const std::string & getName() const
Returns name of the material.
Definition: BaseMaterialImpl.h:81
MagneticMaterialImpl
Basic implementation for magnetized material.
Definition: MagneticMaterialImpl.h:33
MagneticMaterialImpl::setMagnetization
void setMagnetization(kvector_t magnetization)
Definition: MagneticMaterialImpl.h:61
MagneticMaterialImpl::clone
MagneticMaterialImpl * clone() const override=0
Returns pointer to a copy of material.
MagneticMaterialImpl::isScalarMaterial
bool isScalarMaterial() const final
Indicates whether the interaction with the material is scalar.
Definition: MagneticMaterialImpl.cpp:51

References MagneticMaterialImpl::clone(), BaseMaterialImpl::getName(), MagneticMaterialImpl::isScalarMaterial(), MagneticMaterialImpl::magnetization(), RealSpace::Particles::name(), and MagneticMaterialImpl::setMagnetization().

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◆ isMagneticMaterial()

bool MagneticMaterialImpl::isMagneticMaterial ( ) const
finalvirtualinherited

Implements BaseMaterialImpl.

Definition at line 56 of file MagneticMaterialImpl.cpp.

57 {
58  return !isScalarMaterial();
59 }

References MagneticMaterialImpl::isScalarMaterial().

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◆ isScalarMaterial()

bool MagneticMaterialImpl::isScalarMaterial ( ) const
finalvirtualinherited

Indicates whether the interaction with the material is scalar.

This means that different polarization states will be diffracted equally

Implements BaseMaterialImpl.

Definition at line 51 of file MagneticMaterialImpl.cpp.

52 {
53  return m_magnetization == kvector_t{};
54 }
MagneticMaterialImpl::m_magnetization
kvector_t m_magnetization
magnetization
Definition: MagneticMaterialImpl.h:63

References MagneticMaterialImpl::m_magnetization.

Referenced by MagneticMaterialImpl::inverted(), and MagneticMaterialImpl::isMagneticMaterial().

◆ magnetization()

kvector_t MagneticMaterialImpl::magnetization ( ) const
finalvirtualinherited

Returns the magnetization (in A/m)

Implements BaseMaterialImpl.

Definition at line 61 of file MagneticMaterialImpl.cpp.

62 {
63  return m_magnetization;
64 }

References MagneticMaterialImpl::m_magnetization.

Referenced by MagneticMaterialImpl::inverted(), print(), RefractiveMaterialImpl::print(), and MagneticMaterialImpl::setMagnetization().

◆ materialData()

complex_t MaterialBySLDImpl::materialData ( ) const
overridevirtual

Returns underlying material data.

Implements BaseMaterialImpl.

Definition at line 53 of file MaterialBySLDImpl.cpp.

54 {
55  return complex_t(m_sld_real * square_angstroms, m_sld_imag * square_angstroms);
56 }
complex_t
std::complex< double > complex_t
Definition: Complex.h:20

References m_sld_imag, and m_sld_real.

◆ polarizedSubtrSLD()

Eigen::Matrix2cd MagneticMaterialImpl::polarizedSubtrSLD ( const WavevectorInfo &  wavevectors) const
finalvirtualinherited

Returns ( $ \pi/\lambda^2 $ - sld) matrix with magnetization corrections.

Implements BaseMaterialImpl.

Definition at line 66 of file MagneticMaterialImpl.cpp.

67 {
68  cvector_t mag_ortho = OrthogonalToBaseVector(wavevectors.getQ(), m_magnetization);
69  complex_t unit_factor = scalarSubtrSLD(wavevectors);
70  return MaterialUtils::MagnetizationCorrection(unit_factor, magnetization_prefactor, mag_ortho);
71 }
magnetization_prefactor
constexpr double magnetization_prefactor
Definition: MagneticMaterialImpl.cpp:26
BaseMaterialImpl::scalarSubtrSLD
virtual complex_t scalarSubtrSLD(const WavevectorInfo &wavevectors) const =0
Returns ( - sld), sld being the scattering length density.
WavevectorInfo::getQ
cvector_t getQ() const
Definition: WavevectorInfo.h:40
MaterialUtils::MagnetizationCorrection
Eigen::Matrix2cd MagnetizationCorrection(complex_t unit_factor, double magnetic_factor, BasicVector3D< T > polarization)
Definition: MaterialUtils.cpp:36

References WavevectorInfo::getQ(), MagneticMaterialImpl::m_magnetization, magnetization_prefactor, MaterialUtils::MagnetizationCorrection(), and BaseMaterialImpl::scalarSubtrSLD().

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◆ print()

void MaterialBySLDImpl::print ( std::ostream &  ostr) const
overridevirtual

Prints object data.

Implements BaseMaterialImpl.

Definition at line 64 of file MaterialBySLDImpl.cpp.

65 {
66  ostr << "MaterialBySLD:" << getName() << "<" << this << ">{ "
67  << "sld_real=" << m_sld_real << ", sld_imag = " << m_sld_imag << ", B=" << magnetization()
68  << "}";
69 }

References BaseMaterialImpl::getName(), m_sld_imag, m_sld_real, and MagneticMaterialImpl::magnetization().

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◆ refractiveIndex()

complex_t MaterialBySLDImpl::refractiveIndex ( double  wavelength) const
overridevirtual

Returns refractive index.

Implements BaseMaterialImpl.

Definition at line 43 of file MaterialBySLDImpl.cpp.

44 {
45  return std::sqrt(refractiveIndex2(wavelength));
46 }
MaterialBySLDImpl::refractiveIndex2
complex_t refractiveIndex2(double wavelength) const override
Returns squared refractive index.
Definition: MaterialBySLDImpl.cpp:48

References refractiveIndex2().

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◆ refractiveIndex2()

complex_t MaterialBySLDImpl::refractiveIndex2 ( double  wavelength) const
overridevirtual

Returns squared refractive index.

Implements BaseMaterialImpl.

Definition at line 48 of file MaterialBySLDImpl.cpp.

49 {
50  return 1.0 - getWlPrefactor(wavelength) * sld();
51 }
MaterialBySLDImpl::sld
complex_t sld() const
Returns the scattering length density.
Definition: MaterialBySLDImpl.cpp:71

References sld().

Referenced by refractiveIndex().

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◆ rotatedMaterial()

MagneticMaterialImpl * MagneticMaterialImpl::rotatedMaterial ( const Transform3D &  transform) const
finalvirtualinherited

Implements BaseMaterialImpl.

Definition at line 73 of file MagneticMaterialImpl.cpp.

74 {
75  kvector_t transformed_field = transform.transformed(m_magnetization);
76  MagneticMaterialImpl* result = this->clone();
77  result->setMagnetization(transformed_field);
78  return result;
79 }
Transform3D::transformed
ivector_t transformed(const ivector_t &v) const
Return transformed vector v.
Definition: Transform3D.cpp:110

References MagneticMaterialImpl::clone(), MagneticMaterialImpl::m_magnetization, MagneticMaterialImpl::setMagnetization(), and Transform3D::transformed().

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◆ scalarSubtrSLD()

complex_t MaterialBySLDImpl::scalarSubtrSLD ( const WavevectorInfo &  wavevectors) const
overridevirtual

Returns ( $ \pi/\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density.

Implements BaseMaterialImpl.

Definition at line 58 of file MaterialBySLDImpl.cpp.

59 {
60  double wavelength = wavevectors.wavelength();
61  return 1.0 / getWlPrefactor(wavelength) - sld();
62 }
WavevectorInfo::wavelength
double wavelength() const
Definition: WavevectorInfo.h:41

References sld(), and WavevectorInfo::wavelength().

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◆ setMagnetization()

void MagneticMaterialImpl::setMagnetization ( kvector_t  magnetization)
inlineprivateinherited

Definition at line 61 of file MagneticMaterialImpl.h.

61 { m_magnetization = magnetization; }

References MagneticMaterialImpl::m_magnetization, and MagneticMaterialImpl::magnetization().

Referenced by MagneticMaterialImpl::inverted(), and MagneticMaterialImpl::rotatedMaterial().

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◆ sld()

complex_t MaterialBySLDImpl::sld ( ) const
private

Returns the scattering length density.

Definition at line 71 of file MaterialBySLDImpl.cpp.

72 {
73  return complex_t(m_sld_real, -m_sld_imag);
74 }

References m_sld_imag, and m_sld_real.

Referenced by refractiveIndex2(), and scalarSubtrSLD().

◆ typeID()

MATERIAL_TYPES MaterialBySLDImpl::typeID ( ) const
inlineoverridevirtual

Returns type of material implementation.

Implements BaseMaterialImpl.

Definition at line 49 of file MaterialBySLDImpl.h.

49 { return MATERIAL_TYPES::MaterialBySLD; }

References MaterialBySLD.

Friends And Related Function Documentation

◆ MaterialBySLD

Material MaterialBySLD ( const std::string &  name,
double  sld_real,
double  sld_imag,
kvector_t  magnetization 
)
friend

Constructs a wavelength-independent material with a given complex-valued scattering length density (SLD).

SLD values for a wide variety of materials can be found on https://sld-calculator.appspot.com/ and https://www.ncnr.nist.gov/resources/activation/ By convention, SLD imaginary part is treated as negative by default, which corresponds to attenuation of the signal. With no parameters given, MaterialBySLD constructs default (vacuum) material with zero sld and zero magnetization.

Parameters
namematerial name
sld_realreal part of the scattering length density, inverse square angstroms
sld_imagimaginary part of the scattering length density, inverse square angstroms
magnetizationmagnetization (in A/m)

Definition at line 47 of file MaterialFactoryFuncs.cpp.

49 {
50  constexpr double inv_sq_angstroms = 1.0 / (Units::angstrom * Units::angstrom);
51  std::unique_ptr<MaterialBySLDImpl> mat_impl(new MaterialBySLDImpl(
52  name, sld_real * inv_sq_angstroms, sld_imag * inv_sq_angstroms, magnetization));
53  return Material(std::move(mat_impl));
54 }
Material
A wrapper for underlying material implementation.
Definition: Material.h:29
Units::angstrom
static constexpr double angstrom
Definition: Units.h:34

Member Data Documentation

◆ m_magnetization

kvector_t MagneticMaterialImpl::m_magnetization
privateinherited

magnetization

Definition at line 63 of file MagneticMaterialImpl.h.

Referenced by MagneticMaterialImpl::isScalarMaterial(), MagneticMaterialImpl::magnetization(), MagneticMaterialImpl::polarizedSubtrSLD(), MagneticMaterialImpl::rotatedMaterial(), and MagneticMaterialImpl::setMagnetization().

◆ m_name

const std::string BaseMaterialImpl::m_name
privateinherited

Definition at line 84 of file BaseMaterialImpl.h.

Referenced by BaseMaterialImpl::getName().

◆ m_sld_imag

const double MaterialBySLDImpl::m_sld_imag
private

imaginary part of scattering length density (negative by default)

Definition at line 67 of file MaterialBySLDImpl.h.

Referenced by materialData(), print(), and sld().

◆ m_sld_real

const double MaterialBySLDImpl::m_sld_real
private

complex-valued scattering length density

Definition at line 66 of file MaterialBySLDImpl.h.

Referenced by materialData(), print(), and sld().

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