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Defines the position of the CGPoint (e.g. x, y, z) and the parameters of the Gauss coarse-graining function (width and cutoff). More...
#include <Gauss.h>
Public Types | |
typedef Coordinates | CoordinatesType |
Public Member Functions | |
Gauss () | |
Default constructor, it simply creates an empty GaussCoordinates. More... | |
Gauss (const Gauss &c)=default | |
Copy constructor. It copies the GaussCoordinates and all objects it contains. More... | |
~Gauss ()=default | |
Destructor, does nothing, as no new'ed objects are used. More... | |
void | write (std::ostream &os) const |
Writes class content into an output stream, usually a stat file. More... | |
void | setWidth (Mdouble width) |
Sets the width of the coarse-graining function. More... | |
void | setStandardDeviation (Mdouble std) |
Sets the standard deviation of the coarse-graining function. More... | |
void | setWidthAndCutoff (Mdouble width, Mdouble cutoff) |
Sets the width and cutoff of the coarse-graining function. More... | |
Mdouble | getWidth () const |
Returns the width of the coarse-graining function. More... | |
Mdouble | getCutoff () const |
Returns the cutoff of the coarse-graining function. More... | |
Mdouble | getEps () const |
Returns the finite difference step size used to evaluate derivatives of the CG function. More... | |
void | setEps (Mdouble eps) |
Sets the finite difference step size used to evaluate derivatives of the CG function. More... | |
Mdouble | evaluateCGFunction (const Vec3D &position, const Coordinates r) |
Evaluates the coarse-graining function. More... | |
Vec3D | evaluateCGFunctionDerivatives (const Vec3D &position, const Coordinates &r) |
Mdouble | evaluateCGFunctionDerivativeWithFD (const Vec3D &position, const Coordinates &r, const int i) |
Mdouble | evaluateCylindricalCGFunction (const Vec3D &position, const CGCoordinates::R r) |
Mdouble | evaluateCGIntegral (const BaseInteraction &i, const Coordinates r, IntegralType type=IntegralType::I_TO_P) |
Evaluates the line integral needed for the calculation of stresses. More... | |
Mdouble | evaluateCylindricalCGIntegral (const BaseInteraction &c, const CGCoordinates::R r, IntegralType type=IntegralType::I_TO_P) |
Mdouble | evaluateCGIntegral1D (const BaseInteraction &i, const Coordinates r, IntegralType type=IntegralType::I_TO_P) |
Evaluates the line integral needed for the calculation of stresses for 1D CGCoordinates. More... | |
Protected Attributes | |
Mdouble | width_ |
Mdouble | cutoff_ |
Mdouble | prefactor_ |
Mdouble | integralPrefactor_ |
Mdouble | normalLength_ |
Vec3D | normal_ |
unsigned | currentInteraction_ |
Mdouble | eps_ |
Defines the position of the CGPoint (e.g. x, y, z) and the parameters of the Gauss coarse-graining function (width and cutoff).
The class is derived from a CGCoordinates class, thus it contains the position of the CGPoint in the non-averaged directions. It also contains the parameters of the Gauss coarse-graining function (width and cutoff), as well as internal variables (not user-defined, but set by the code), like the prefactor of the Gauss function (which depends on width, cutoff, and the coordinate type). It also contains all functions that only depend on the coordinate and function type; e.g. evaluateCGFunction and evaluateCGIntegral.
See CGFunctions for more details.
typedef Coordinates CGFunctions::Gauss< Coordinates >::CoordinatesType |
CGFunctions::Gauss< Coordinates >::Gauss | ( | ) |
Default constructor, it simply creates an empty GaussCoordinates.
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default |
Copy constructor. It copies the GaussCoordinates and all objects it contains.
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default |
Destructor, does nothing, as no new'ed objects are used.
Mdouble CGFunctions::Gauss< Coordinates >::evaluateCGFunction | ( | const Vec3D & | position, |
const Coordinates | r | ||
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Evaluates the coarse-graining function.
Vec3D CGFunctions::Gauss< Coordinates >::evaluateCGFunctionDerivatives | ( | const Vec3D & | position, |
const Coordinates & | r | ||
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Mdouble CGFunctions::Gauss< Coordinates >::evaluateCGFunctionDerivativeWithFD | ( | const Vec3D & | position, |
const Coordinates & | r, | ||
const int | i | ||
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Mdouble CGFunctions::Gauss< Coordinates >::evaluateCGIntegral | ( | const BaseInteraction & | i, |
const Coordinates | r, | ||
IntegralType | type = IntegralType::I_TO_P |
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Evaluates the line integral needed for the calculation of stresses.
Mdouble CGFunctions::Gauss< Coordinates >::evaluateCGIntegral1D | ( | const BaseInteraction & | i, |
const Coordinates | r, | ||
IntegralType | type = IntegralType::I_TO_P |
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Evaluates the line integral needed for the calculation of stresses for 1D CGCoordinates.
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inline |
References constants::NaN.
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inline |
References constants::NaN.
Mdouble CGFunctions::Gauss< Coordinates >::getCutoff | ( | ) | const |
Returns the cutoff of the coarse-graining function.
Mdouble CGFunctions::Gauss< Coordinates >::getEps | ( | ) | const |
Returns the finite difference step size used to evaluate derivatives of the CG function.
Mdouble CGFunctions::Gauss< Coordinates >::getWidth | ( | ) | const |
Returns the width of the coarse-graining function.
void CGFunctions::Gauss< Coordinates >::setEps | ( | Mdouble | eps | ) |
Sets the finite difference step size used to evaluate derivatives of the CG function.
void CGFunctions::Gauss< Coordinates >::setStandardDeviation | ( | Mdouble | std | ) |
Sets the standard deviation of the coarse-graining function.
void CGFunctions::Gauss< Coordinates >::setWidth | ( | Mdouble | width | ) |
Sets the width of the coarse-graining function.
void CGFunctions::Gauss< Coordinates >::setWidthAndCutoff | ( | Mdouble | width, |
Mdouble | cutoff | ||
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Sets the width and cutoff of the coarse-graining function.
void CGFunctions::Gauss< Coordinates >::write | ( | std::ostream & | os | ) | const |
Writes class content into an output stream, usually a stat file.
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The length of the branch vector of the current interaction. If this parameter is changed, the integralPrefactor_ has to be recomputed. This parameter is internal, thus cannot be set directly by the user.
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The cutoff of the coarse-graining function. It is 3.0 by default, unless modified by the user.
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Finite Difference step size, used to compute the derivative of the CG function
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The prefactor of the coarse-graining integral. Depends on the value of currentDistance_. This parameter is internal, thus cannot be set directly by the user.
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The prefactor of the coarse-graining function. This parameter is internal, thus cannot be set directly by the user.
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The coarse-graining width. It is 1.0 by default, unless modified by the user.