ObjCryst::GlobalScatteringPower Class Reference
Global Scattering Power. More...
Inheritance diagram for ObjCryst::GlobalScatteringPower:
Collaboration diagram for ObjCryst::GlobalScatteringPower:
Public Member Functions | |
| GlobalScatteringPower (const ZScatterer &scatt) | |
| GlobalScatteringPower (const GlobalScatteringPower &old) | |
| void | Init (const ZScatterer &scatt) |
| Re-initialize parameters (after using the default constructor). | |
| virtual CrystVector_REAL | GetScatteringFactor (const ScatteringData &data, const int spgSymPosIndex=0) const |
| Get the Scattering factor for all reflections of a given ScatteringData object. | |
| virtual REAL | GetForwardScatteringFactor (const RadiationType) const |
| Get the scattering factor at (0,0,0). Used for scatterer (electron, nucleus) density generation. | |
| virtual CrystVector_REAL | GetTemperatureFactor (const ScatteringData &data, const int spgSymPosIndex=0) const |
| Get the temperature factor for all reflections of a given ScatteringData object. | |
| virtual CrystMatrix_REAL | GetResonantScattFactReal (const ScatteringData &data, const int spgSymPosIndex=0) const |
| Get the real part of the resonant scattering factor. | |
| virtual CrystMatrix_REAL | GetResonantScattFactImag (const ScatteringData &data, const int spgSymPosIndex=0) const |
| Get the imaginary part of the resonant scattering factor. | |
| virtual REAL | GetRadius () const |
| Return the physical radius of this type of scatterer (for 3D display purposes). | |
Protected Member Functions | |
| virtual void | InitRefParList () |
Protected Attributes | |
| ZScatterer * | mpZScatterer |
| a copy of the ZScatterer associated to this object | |
Detailed Description
Global Scattering Power.
Used to approximate the scattering power of a multi-atom ZScatterer (polyhedron,...) to an isotropic scattering power.
The scattering power will be (slowly) approximated to the average scattering power of this ZScatterer take in all orientations. The approximated scattering factor will include the temperature factor and resonant scattering factors contributions.
This is only used in ZScatterer, and maybe obsolete (?).
Definition at line 52 of file ZScatterer.h.
Member Function Documentation
| REAL ObjCryst::GlobalScatteringPower::GetRadius | ( | ) | const [virtual] |
Return the physical radius of this type of scatterer (for 3D display purposes).
- Warning:
- this may be removed later.
Implements ObjCryst::ScatteringPower.
Definition at line 2894 of file ZScatterer.cpp.
| CrystMatrix_REAL ObjCryst::GlobalScatteringPower::GetResonantScattFactImag | ( | const ScatteringData & | data, | |
| const int | spgSymPosIndex = 0 | |||
| ) | const [virtual] |
Get the imaginary part of the resonant scattering factor.
- Returns:
- a matrix where each row corresponds to each wavelength (currently only monochromatic experiments are made so there is only one row), and each column corresponds to each reflection only if the scattering term is anisotropic, which is not the case so far...
- Parameters:
-
data,: the ScatteringData object, giving access to all the reflections, and a list of wavelengths. spgSymPosIndex,: if the ScatteringPower is anisotropic, then the different symmetrics will not have the same scattering power for all reflections. This parameter is the index of the symmetric position in the Spacegroup. If spgSymPosIndex=-1, the isotropic values are returned.
- Warning:
- There is no anisotropic code yet, so spgSymPosIndex is simply ignored so far , but the design of this function is general for any anisotropic scattering.
Implements ObjCryst::ScatteringPower.
Definition at line 2886 of file ZScatterer.cpp.
| CrystMatrix_REAL ObjCryst::GlobalScatteringPower::GetResonantScattFactReal | ( | const ScatteringData & | data, | |
| const int | spgSymPosIndex = 0 | |||
| ) | const [virtual] |
Get the real part of the resonant scattering factor.
- Returns:
- a matrix where each row corresponds to each wavelength (currently only monochromatic experiments are made so there is only one row), and each column corresponds to each reflection only if the scattering term is anisotropic, which is not the case so far...
- Parameters:
-
data,: the ScatteringData object, giving access to all the reflections and a list of wavelengths). spgSymPosIndex,: if the ScatteringPower is anisotropic, then the different symmetrics will not have the same scattering power for all reflections. This parameter is the index of the symmetric position in the Spacegroup. If spgSymPosIndex=-1, the isotropic values are returned.
- Warning:
- There is no anisotropic code yet, so spgSymPosIndex is simply ignored so far , but the design of this function is general for any anisotropic scattering.
Implements ObjCryst::ScatteringPower.
Definition at line 2877 of file ZScatterer.cpp.
| CrystVector_REAL ObjCryst::GlobalScatteringPower::GetScatteringFactor | ( | const ScatteringData & | data, | |
| const int | spgSymPosIndex = 0 | |||
| ) | const [virtual] |
Get the Scattering factor for all reflections of a given ScatteringData object.
- Returns:
- a vector with the scattering factor for all reflections, in the same order as in the ScatteringData object. This format is independent of the radiation type (X-Ray, neutron..).
- Parameters:
-
data,: the ScatteringData object, giving access to all the reflections. spgSymPosIndex,: if the ScatteringPower is anisotropic, then the different symmetrics will not have the same scattering power for all reflections. This parameter is the index of the symmetric position in the Spacegroup. If spgSymPosIndex=-1, the isotropic values are returned.
- Warning:
- There is no anisotropic code yet, so spgSymPosIndex is simply ignored so far , but the design of this function is general for any anisotropic scattering.
Implements ObjCryst::ScatteringPower.
Definition at line 2801 of file ZScatterer.cpp.
| CrystVector_REAL ObjCryst::GlobalScatteringPower::GetTemperatureFactor | ( | const ScatteringData & | data, | |
| const int | spgSymPosIndex = 0 | |||
| ) | const [virtual] |
Get the temperature factor for all reflections of a given ScatteringData object.
- Returns:
- a vector with the temperature factor for all reflections, in the same order as in the ScatteringData object.
- Parameters:
-
data,: the ScatteringData object, giving access to all the reflections. spgSymPosIndex,: if the ScatteringPower is anisotropic, then the different symmetrics will not have the same scattering power for all reflections. This parameter is the index of the symmetric position in the Spacegroup. If spgSymPosIndex=-1, the isotropic values are returned.
- Warning:
- There is no anisotropic code yet, so spgSymPosIndex is simply ignored so far , but the design of this function is general for any anisotropic scattering.
Implements ObjCryst::ScatteringPower.
Definition at line 2868 of file ZScatterer.cpp.
The documentation for this class was generated from the following files:
