BornAgain  1.19.0
Simulate and fit neutron and x-ray scattering at grazing incidence
Public Member Functions | Protected Attributes | Private Attributes | Friends | List of all members
ComputeDWBAPol Class Reference
Formfactor internals

Provides polarized DWBA computation for given IFormFactor. More...

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Collaboration diagram for ComputeDWBAPol:
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Public Member Functions

 ComputeDWBAPol (const IFormFactor &ff)
 
 ~ComputeDWBAPol () override
 
virtual double bottomZ (const IRotation &rotation) const
 
ComputeDWBAPol * clone () const override
 
complex_t evaluate (const WavevectorInfo &wavevectors) const override
 Throws not-implemented exception. More...
 
Eigen::Matrix2cd evaluatePol (const WavevectorInfo &wavevectors) const override
 Returns the coherent sum of the four DWBA terms for polarized scattering. More...
 
virtual double radialExtension () const
 
virtual void setAmbientMaterial (const Material &material)
 
void setSpecularInfo (std::unique_ptr< const ILayerRTCoefficients > p_in_coeffs, std::unique_ptr< const ILayerRTCoefficients > p_out_coeffs) override
 Sets reflection/transmission info. More...
 
virtual double topZ (const IRotation &rotation) const
 
virtual double volume () const
 

Protected Attributes

std::unique_ptr< IFormFactor > m_ff
 

Private Attributes

std::unique_ptr< const ILayerRTCoefficients > m_in_coeffs
 
std::unique_ptr< const ILayerRTCoefficients > m_out_coeffs
 

Friends

class TestPolarizedDWBATerms
 

Detailed Description

Provides polarized DWBA computation for given IFormFactor.

Definition at line 32 of file ComputeDWBAPol.h.

Constructor & Destructor Documentation

◆ ComputeDWBAPol()

ComputeDWBAPol::ComputeDWBAPol ( const IFormFactor &  ff)

Definition at line 28 of file ComputeDWBAPol.cpp.

28 : IComputeFF(ff) {}
IComputeFF::IComputeFF
IComputeFF()=delete

Referenced by clone().

◆ ~ComputeDWBAPol()

ComputeDWBAPol::~ComputeDWBAPol ( )
overridedefault

Member Function Documentation

◆ bottomZ()

double IComputeFF::bottomZ ( const IRotation &  rotation) const
virtualinherited

Definition at line 39 of file IComputeFF.cpp.

40 {
41  return m_ff->bottomZ(rotation);
42 }
IComputeFF::m_ff
std::unique_ptr< IFormFactor > m_ff
Definition: IComputeFF.h:64

References IComputeFF::m_ff.

◆ clone()

ComputeDWBAPol * ComputeDWBAPol::clone ( ) const
overridevirtual

Implements IComputeFF.

Definition at line 32 of file ComputeDWBAPol.cpp.

33 {
34  ComputeDWBAPol* p_result = new ComputeDWBAPol(*m_ff);
35  std::unique_ptr<const ILayerRTCoefficients> p_in_coefs =
36  m_in_coeffs ? std::unique_ptr<const ILayerRTCoefficients>(m_in_coeffs->clone()) : nullptr;
37  std::unique_ptr<const ILayerRTCoefficients> p_out_coefs =
38  m_out_coeffs ? std::unique_ptr<const ILayerRTCoefficients>(m_out_coeffs->clone()) : nullptr;
39  p_result->setSpecularInfo(std::move(p_in_coefs), std::move(p_out_coefs));
40  return p_result;
41 }
ComputeDWBAPol
Provides polarized DWBA computation for given IFormFactor.
Definition: ComputeDWBAPol.h:32
ComputeDWBAPol::setSpecularInfo
void setSpecularInfo(std::unique_ptr< const ILayerRTCoefficients > p_in_coeffs, std::unique_ptr< const ILayerRTCoefficients > p_out_coeffs) override
Sets reflection/transmission info.
Definition: ComputeDWBAPol.cpp:193
ComputeDWBAPol::m_in_coeffs
std::unique_ptr< const ILayerRTCoefficients > m_in_coeffs
Definition: ComputeDWBAPol.h:51
ComputeDWBAPol::m_out_coeffs
std::unique_ptr< const ILayerRTCoefficients > m_out_coeffs
Definition: ComputeDWBAPol.h:52
ComputeDWBAPol::ComputeDWBAPol
ComputeDWBAPol(const IFormFactor &ff)
Definition: ComputeDWBAPol.cpp:28

References ComputeDWBAPol(), IComputeFF::m_ff, m_in_coeffs, m_out_coeffs, and setSpecularInfo().

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◆ evaluate()

complex_t ComputeDWBAPol::evaluate ( const WavevectorInfo &  wavevectors) const
overridevirtual

Throws not-implemented exception.

Implements IComputeFF.

Definition at line 43 of file ComputeDWBAPol.cpp.

44 {
45  throw std::runtime_error("Bug: forbidden call of ComputeDWBAPol::evaluate");
46 }

◆ evaluatePol()

Eigen::Matrix2cd ComputeDWBAPol::evaluatePol ( const WavevectorInfo &  wavevectors) const
overridevirtual

Returns the coherent sum of the four DWBA terms for polarized scattering.

Reimplemented from IComputeFF.

Definition at line 48 of file ComputeDWBAPol.cpp.

49 {
50  // the required wavevectors inside the layer for
51  // different eigenmodes and in- and outgoing wavevector;
52  complex_t kix = wavevectors.getKi().x();
53  complex_t kiy = wavevectors.getKi().y();
54  cvector_t ki_1R(kix, kiy, m_in_coeffs->getKz()(0));
55  cvector_t ki_1T(kix, kiy, -m_in_coeffs->getKz()(0));
56  cvector_t ki_2R(kix, kiy, m_in_coeffs->getKz()(1));
57  cvector_t ki_2T(kix, kiy, -m_in_coeffs->getKz()(1));
58 
59  cvector_t kf_1R = wavevectors.getKf();
60  kf_1R.setZ(-(complex_t)m_out_coeffs->getKz()(0));
61  cvector_t kf_1T = kf_1R;
62  kf_1T.setZ((complex_t)m_out_coeffs->getKz()(0));
63  cvector_t kf_2R = kf_1R;
64  kf_2R.setZ(-(complex_t)m_out_coeffs->getKz()(1));
65  cvector_t kf_2T = kf_1R;
66  kf_2T.setZ((complex_t)m_out_coeffs->getKz()(1));
67  // now each of the 16 matrix terms of the polarized DWBA is calculated:
68  // NOTE: when the underlying reflection/transmission coefficients are
69  // scalar, the eigenmodes have identical eigenvalues and spin polarization
70  // is used as a basis; in this case however the matrices get mixed:
71  // real m_M11 = calculated m_M12
72  // real m_M12 = calculated m_M11
73  // real m_M21 = calculated m_M22
74  // real m_M22 = calculated m_M21
75  // since both eigenvalues are identical, this does not influence the result.
76  Eigen::Matrix2cd ff_BA;
77 
78  double wavelength = wavevectors.wavelength();
79 
80  // The following matrices each contain the four polarization conditions
81  // (p->p, p->m, m->p, m->m)
82  // The first two indices indicate a scattering from the 1/2 eigenstate into
83  // the 1/2 eigenstate, while the capital indices indicate a reflection
84  // before and/or after the scattering event (first index is in-state,
85  // second is out-state; this also applies to the internal matrix indices)
86  Eigen::Matrix2cd M11_S, M11_RS, M11_SR, M11_RSR, M12_S, M12_RS, M12_SR, M12_RSR, M21_S, M21_RS,
87  M21_SR, M21_RSR, M22_S, M22_RS, M22_SR, M22_RSR;
88 
89  // eigenmode 1 -> eigenmode 1: direct scattering
90  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1T, kf_1T, wavelength));
91  M11_S(0, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->T1plus());
92  M11_S(0, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->T1plus());
93  M11_S(1, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->T1min());
94  M11_S(1, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->T1min());
95  // eigenmode 1 -> eigenmode 1: reflection and then scattering
96  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1R, kf_1T, wavelength));
97  M11_RS(0, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->R1plus());
98  M11_RS(0, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->R1plus());
99  M11_RS(1, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->R1min());
100  M11_RS(1, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->R1min());
101  // eigenmode 1 -> eigenmode 1: scattering and then reflection
102  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1T, kf_1R, wavelength));
103  M11_SR(0, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->T1plus());
104  M11_SR(0, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->T1plus());
105  M11_SR(1, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->T1min());
106  M11_SR(1, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->T1min());
107  // eigenmode 1 -> eigenmode 1: reflection, scattering and again reflection
108  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1R, kf_1R, wavelength));
109  M11_RSR(0, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->R1plus());
110  M11_RSR(0, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->R1plus());
111  M11_RSR(1, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->R1min());
112  M11_RSR(1, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->R1min());
113 
114  // eigenmode 1 -> eigenmode 2: direct scattering
115  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1T, kf_2T, wavelength));
116  M12_S(0, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->T1plus());
117  M12_S(0, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->T1plus());
118  M12_S(1, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->T1min());
119  M12_S(1, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->T1min());
120  // eigenmode 1 -> eigenmode 2: reflection and then scattering
121  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1R, kf_2T, wavelength));
122  M12_RS(0, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->R1plus());
123  M12_RS(0, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->R1plus());
124  M12_RS(1, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->R1min());
125  M12_RS(1, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->R1min());
126  // eigenmode 1 -> eigenmode 2: scattering and then reflection
127  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1T, kf_2R, wavelength));
128  M12_SR(0, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->T1plus());
129  M12_SR(0, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->T1plus());
130  M12_SR(1, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->T1min());
131  M12_SR(1, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->T1min());
132  // eigenmode 1 -> eigenmode 2: reflection, scattering and again reflection
133  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_1R, kf_2R, wavelength));
134  M12_RSR(0, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->R1plus());
135  M12_RSR(0, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->R1plus());
136  M12_RSR(1, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->R1min());
137  M12_RSR(1, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->R1min());
138 
139  // eigenmode 2 -> eigenmode 1: direct scattering
140  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2T, kf_1T, wavelength));
141  M21_S(0, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->T2plus());
142  M21_S(0, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->T2plus());
143  M21_S(1, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->T2min());
144  M21_S(1, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->T2min());
145  // eigenmode 2 -> eigenmode 1: reflection and then scattering
146  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2R, kf_1T, wavelength));
147  M21_RS(0, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->R2plus());
148  M21_RS(0, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->R2plus());
149  M21_RS(1, 0) = -VecMatVecProduct(m_out_coeffs->T1min(), ff_BA, m_in_coeffs->R2min());
150  M21_RS(1, 1) = VecMatVecProduct(m_out_coeffs->T1plus(), ff_BA, m_in_coeffs->R2min());
151  // eigenmode 2 -> eigenmode 1: scattering and then reflection
152  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2T, kf_1R, wavelength));
153  M21_SR(0, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->T2plus());
154  M21_SR(0, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->T2plus());
155  M21_SR(1, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->T2min());
156  M21_SR(1, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->T2min());
157  // eigenmode 2 -> eigenmode 1: reflection, scattering and again reflection
158  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2R, kf_1R, wavelength));
159  M21_RSR(0, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->R2plus());
160  M21_RSR(0, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->R2plus());
161  M21_RSR(1, 0) = -VecMatVecProduct(m_out_coeffs->R1min(), ff_BA, m_in_coeffs->R2min());
162  M21_RSR(1, 1) = VecMatVecProduct(m_out_coeffs->R1plus(), ff_BA, m_in_coeffs->R2min());
163 
164  // eigenmode 2 -> eigenmode 2: direct scattering
165  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2T, kf_2T, wavelength));
166  M22_S(0, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->T2plus());
167  M22_S(0, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->T2plus());
168  M22_S(1, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->T2min());
169  M22_S(1, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->T2min());
170  // eigenmode 2 -> eigenmode 2: reflection and then scattering
171  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2R, kf_2T, wavelength));
172  M22_RS(0, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->R2plus());
173  M22_RS(0, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->R2plus());
174  M22_RS(1, 0) = -VecMatVecProduct(m_out_coeffs->T2min(), ff_BA, m_in_coeffs->R2min());
175  M22_RS(1, 1) = VecMatVecProduct(m_out_coeffs->T2plus(), ff_BA, m_in_coeffs->R2min());
176  // eigenmode 2 -> eigenmode 2: scattering and then reflection
177  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2T, kf_2R, wavelength));
178  M22_SR(0, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->T2plus());
179  M22_SR(0, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->T2plus());
180  M22_SR(1, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->T2min());
181  M22_SR(1, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->T2min());
182  // eigenmode 2 -> eigenmode 2: reflection, scattering and again reflection
183  ff_BA = m_ff->evaluatePol(WavevectorInfo(ki_2R, kf_2R, wavelength));
184  M22_RSR(0, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->R2plus());
185  M22_RSR(0, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->R2plus());
186  M22_RSR(1, 0) = -VecMatVecProduct(m_out_coeffs->R2min(), ff_BA, m_in_coeffs->R2min());
187  M22_RSR(1, 1) = VecMatVecProduct(m_out_coeffs->R2plus(), ff_BA, m_in_coeffs->R2min());
188 
189  return M11_S + M11_RS + M11_SR + M11_RSR + M12_S + M12_RS + M12_SR + M12_RSR + M21_S + M21_RS
190  + M21_SR + M21_RSR + M22_S + M22_RS + M22_SR + M22_RSR;
191 }
complex_t
std::complex< double > complex_t
Definition: Complex.h:20
BasicVector3D::y
T y() const
Returns y-component in cartesian coordinate system.
Definition: BasicVector3D.h:65
BasicVector3D::x
T x() const
Returns x-component in cartesian coordinate system.
Definition: BasicVector3D.h:63
BasicVector3D::setZ
void setZ(const T &a)
Sets z-component in cartesian coordinate system.
Definition: BasicVector3D.h:74
WavevectorInfo
Holds all wavevector information relevant for calculating form factors.
Definition: WavevectorInfo.h:25
WavevectorInfo::getKf
cvector_t getKf() const
Definition: WavevectorInfo.h:39
WavevectorInfo::getKi
cvector_t getKi() const
Definition: WavevectorInfo.h:38
WavevectorInfo::wavelength
double wavelength() const
Definition: WavevectorInfo.h:41

References WavevectorInfo::getKf(), WavevectorInfo::getKi(), IComputeFF::m_ff, m_in_coeffs, m_out_coeffs, BasicVector3D< T >::setZ(), WavevectorInfo::wavelength(), BasicVector3D< T >::x(), and BasicVector3D< T >::y().

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◆ radialExtension()

double IComputeFF::radialExtension ( ) const
virtualinherited

Definition at line 34 of file IComputeFF.cpp.

35 {
36  return m_ff->radialExtension();
37 }

References IComputeFF::m_ff.

◆ setAmbientMaterial()

void IComputeFF::setAmbientMaterial ( const Material &  material)
virtualinherited

Definition at line 24 of file IComputeFF.cpp.

25 {
26  m_ff->setAmbientMaterial(material);
27 }

References IComputeFF::m_ff.

◆ setSpecularInfo()

void ComputeDWBAPol::setSpecularInfo ( std::unique_ptr< const ILayerRTCoefficients >  ,
std::unique_ptr< const ILayerRTCoefficients >   
)
overridevirtual

Sets reflection/transmission info.

Reimplemented from IComputeFF.

Definition at line 193 of file ComputeDWBAPol.cpp.

195 {
196  m_in_coeffs = std::move(p_in_coeffs);
197  m_out_coeffs = std::move(p_out_coeffs);
198 }

References m_in_coeffs, and m_out_coeffs.

Referenced by clone().

◆ topZ()

double IComputeFF::topZ ( const IRotation &  rotation) const
virtualinherited

Definition at line 44 of file IComputeFF.cpp.

45 {
46  return m_ff->topZ(rotation);
47 }

References IComputeFF::m_ff.

◆ volume()

double IComputeFF::volume ( ) const
virtualinherited

Definition at line 29 of file IComputeFF.cpp.

30 {
31  return m_ff->volume();
32 }

References IComputeFF::m_ff.

Friends And Related Function Documentation

◆ TestPolarizedDWBATerms

friend class TestPolarizedDWBATerms
friend

Definition at line 48 of file ComputeDWBAPol.h.

Member Data Documentation

◆ m_ff

std::unique_ptr<IFormFactor> IComputeFF::m_ff
protectedinherited

Definition at line 64 of file IComputeFF.h.

Referenced by IComputeFF::bottomZ(), ComputeBA::clone(), ComputeBAPol::clone(), ComputeDWBA::clone(), clone(), ComputeBA::evaluate(), ComputeDWBA::evaluate(), ComputeBAPol::evaluatePol(), evaluatePol(), IComputeFF::radialExtension(), IComputeFF::setAmbientMaterial(), IComputeFF::topZ(), and IComputeFF::volume().

◆ m_in_coeffs

std::unique_ptr<const ILayerRTCoefficients> ComputeDWBAPol::m_in_coeffs
private

Definition at line 51 of file ComputeDWBAPol.h.

Referenced by clone(), evaluatePol(), and setSpecularInfo().

◆ m_out_coeffs

std::unique_ptr<const ILayerRTCoefficients> ComputeDWBAPol::m_out_coeffs
private

Definition at line 52 of file ComputeDWBAPol.h.

Referenced by clone(), evaluatePol(), and setSpecularInfo().

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