A general function with compact support. More...

#include <CompactFunction.h>

Collaboration diagram for nnp::CompactFunction:

Public Member Functions
	CompactFunction ()
	Constructor, initializes to #CoreFunction::Type::POLY2. More...

void	setCoreFunction (CoreFunction::Type const type)
	Set type. More...

void	setCenterWidth (double center, double width)
	Set center and width. More...

void	setLeftRight (double left, double right)
	Set left and right boundary. More...

CoreFunction::Type	getCoreFunctionType () const
	Getter for #type. More...

void	setAsymmetric (bool asymmetric)
	Set asymmetric property in core function. More...

bool	getAsymmetric () const
	Check if asymmetry is enabled in core function. More...

double	getCenter () const
	Getter for center. More...

double	getWidth () const
	Getter for width. More...

double	getLeft () const
	Getter for left. More...

double	getRight () const
	Getter for right. More...

double	f (double a) const
	Compact function \(f_c\). More...

double	df (double a) const
	Derivative of compact function \(\frac{d f_c}{d a}\). More...

void	fdf (double a, double &fa, double &dfa) const
	Calculate compact function and derivative at once. More...

Private Attributes
double	center
	Center of compact function. More...

double	width
	Width of compact function. More...

double	left
	Left boundary of compact function. More...

double	right
	Right boundary of compact function. More...

double	scale
	Inverse width. More...

CoreFunction	core
	Core function to be used on either side of compact function. More...

Detailed Description

A general function with compact support.

Definition at line 27 of file CompactFunction.h.

Constructor & Destructor Documentation

◆ CompactFunction()

CompactFunction::CompactFunction ( )

Constructor, initializes to #CoreFunction::Type::POLY2.

Definition at line 24 of file CompactFunction.cpp.

                                 : center    (0.0  ),
                                     width     (0.0  ),
                                     left      (0.0  ),
                                     right     (0.0  ),
                                     scale     (0.0  )
{
    core.setType(CoreFunction::Type::POLY2);
}

References core, nnp::CoreFunction::POLY2, and nnp::CoreFunction::setType().

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Member Function Documentation

◆ setCoreFunction()

void nnp::CompactFunction::setCoreFunction ( CoreFunction::Type const type )

inline

Set type.

Parameters

[in] type Type of core function to use.

Definition at line 131 of file CompactFunction.h.

{
    core.setType(type);
 
    return;
}

References core, and nnp::CoreFunction::setType().

Referenced by nnp::SymFncBaseComp::setCompactFunction(), nnp::SymFncBaseCompAng::setParameters(), and nnp::SymFncBaseCompAngWeighted::setParameters().

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◆ setCenterWidth()

void CompactFunction::setCenterWidth	(	double	center,
		double	width
	)

Set center and width.

Parameters

[in]	center	Center of compact function.
[in]	width	Width of compact function.

Note: Either use setCenterWidth() or setLeftRight() to initialize.

Definition at line 47 of file CompactFunction.cpp.

{
    if (width <= 0.0)
    {
        throw invalid_argument("ERROR: Width <= 0.\n");
    }
 
    this->center = center;
    this->width  = width;
    this->left   = center - width;
    this->right  = center + width;
    this->scale  = 1.0 / width;
 
    return;
}

References center, left, right, scale, and width.

◆ setLeftRight()

void CompactFunction::setLeftRight	(	double	left,
		double	right
	)

Set left and right boundary.

Parameters

[in]	left	Left boundary of compact function.
[in]	right	Right boundary of compact function.

Note: Either use setCenterWidth() or setLeftRight() to initialize.

Definition at line 63 of file CompactFunction.cpp.

{
    if (left >= right)
    {
        throw invalid_argument("ERROR: Left >= Right.\n");
    }
 
    this->left   = left;
    this->right  = right;
    this->center = (right + left) / 2.0;
    this->width  = (right - left) / 2.0;
    this->scale  = 1.0 / width;
 
    return;
}

References center, left, right, scale, and width.

Referenced by nnp::SymFncBaseCompAng::changeLengthUnit(), nnp::SymFncBaseCompAngWeighted::changeLengthUnit(), nnp::SymFncCompRad::changeLengthUnit(), nnp::SymFncCompRadWeighted::changeLengthUnit(), nnp::SymFncBaseCompAng::setParameters(), nnp::SymFncBaseCompAngWeighted::setParameters(), nnp::SymFncCompRad::setParameters(), and nnp::SymFncCompRadWeighted::setParameters().

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◆ getCoreFunctionType()

CoreFunction::Type nnp::CompactFunction::getCoreFunctionType ( ) const

inline

Getter for #type.

Returns: Type used.

Definition at line 138 of file CompactFunction.h.

{
    return core.getType();
}

References core, and nnp::CoreFunction::getType().

Referenced by nnp::SymFncBaseCompAng::setParameters(), and nnp::SymFncBaseCompAngWeighted::setParameters().

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◆ setAsymmetric()

void CompactFunction::setAsymmetric ( bool asymmetric )

Set asymmetric property in core function.

Parameters

[in] asymmetric Whether asymmetry should be activated.

Definition at line 39 of file CompactFunction.cpp.

{
    core.setAsymmetric(asymmetric);
 
    return;
}

References core, and nnp::CoreFunction::setAsymmetric().

Referenced by nnp::SymFncBaseComp::setCompactFunction().

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◆ getAsymmetric()

bool CompactFunction::getAsymmetric ( ) const

Check if asymmetry is enabled in core function.

Returns: Whether asymmetry is activated.

Definition at line 34 of file CompactFunction.cpp.

{
    return core.getAsymmetric();
}

References core, and nnp::CoreFunction::getAsymmetric().

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◆ getCenter()

double nnp::CompactFunction::getCenter ( ) const

inline

Getter for center.

Returns: Center of compact function.

Definition at line 143 of file CompactFunction.h.

143{ return center; }

References center.

◆ getWidth()

double nnp::CompactFunction::getWidth ( ) const

inline

Getter for width.

Returns: Width of compact function.

Definition at line 144 of file CompactFunction.h.

144{ return width; }

References width.

◆ getLeft()

double nnp::CompactFunction::getLeft ( ) const

inline

Getter for left.

Returns: Left boundary of compact function.

Definition at line 145 of file CompactFunction.h.

145{ return left; }

References left.

◆ getRight()

double nnp::CompactFunction::getRight ( ) const

inline

Getter for right.

Returns: Right boundary of compact function.

Definition at line 146 of file CompactFunction.h.

146{ return right; }

References right.

◆ f()

double nnp::CompactFunction::f ( double a ) const

inline

Compact function \(f_c\).

Parameters

[in] a Function argument.

Returns: Function value.

Definition at line 148 of file CompactFunction.h.

{
    a = (a - center) * scale;
    return core.f(std::abs(a));
}

References center, core, nnp::CoreFunction::f(), and scale.

Referenced by nnp::SymFncBaseCompAng::calculateAngularPart(), nnp::SymFncBaseCompAngWeighted::calculateAngularPart(), nnp::SymFncBaseCompAng::calculateRadialPart(), nnp::SymFncBaseCompAngWeighted::calculateRadialPart(), nnp::SymFncCompRad::calculateRadialPart(), and nnp::SymFncCompRadWeighted::calculateRadialPart().

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◆ df()

double nnp::CompactFunction::df ( double a ) const

inline

Derivative of compact function \(\frac{d f_c}{d a}\).

Parameters

[in] a Function argument.

Returns: Value of function derivative.

Definition at line 154 of file CompactFunction.h.

{
    a = (a - center) * scale;
    return copysign(scale * core.df(std::abs(a)), a);
}

References center, core, nnp::CoreFunction::df(), and scale.

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◆ fdf()

void nnp::CompactFunction::fdf	(	double	a,
		double &	fa,
		double &	dfa
	)		const

inline

Calculate compact function and derivative at once.

Parameters

[in]	a	Function argument.
[out]	fa	Cutoff function value.
[out]	dfa	Value of cutoff function derivative.

Definition at line 160 of file CompactFunction.h.

{
    a = (a - center) * scale;
    core.fdf(std::abs(a), fa, dfa);
    dfa *= copysign(scale, a);
 
    return;
}

References center, core, nnp::CoreFunction::fdf(), and scale.

Referenced by nnp::SymFncCompAngn::calculate(), nnp::SymFncCompAngnWeighted::calculate(), nnp::SymFncCompAngw::calculate(), nnp::SymFncCompAngwWeighted::calculate(), nnp::SymFncCompRad::calculate(), nnp::SymFncCompRadWeighted::calculate(), nnp::SymFncBaseCompAng::getCompactAngle(), nnp::SymFncBaseCompAngWeighted::getCompactAngle(), nnp::SymFncCompRad::getCompactOnly(), nnp::SymFncCompRadWeighted::getCompactOnly(), nnp::SymFncBaseCompAng::getCompactRadial(), and nnp::SymFncBaseCompAngWeighted::getCompactRadial().

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Member Data Documentation

◆ center

double nnp::CompactFunction::center

private

Center of compact function.

Definition at line 113 of file CompactFunction.h.

Referenced by df(), f(), fdf(), getCenter(), setCenterWidth(), and setLeftRight().

◆ width

double nnp::CompactFunction::width

private

Width of compact function.

Definition at line 115 of file CompactFunction.h.

Referenced by getWidth(), setCenterWidth(), and setLeftRight().

◆ left

double nnp::CompactFunction::left

private

Left boundary of compact function.

Definition at line 117 of file CompactFunction.h.

Referenced by getLeft(), setCenterWidth(), and setLeftRight().

◆ right

double nnp::CompactFunction::right

private

Right boundary of compact function.

Definition at line 119 of file CompactFunction.h.

Referenced by getRight(), setCenterWidth(), and setLeftRight().

◆ scale

double nnp::CompactFunction::scale

private

Inverse width.

Definition at line 121 of file CompactFunction.h.

Referenced by df(), f(), fdf(), setCenterWidth(), and setLeftRight().

◆ core

CoreFunction nnp::CompactFunction::core

private

Core function to be used on either side of compact function.

Definition at line 123 of file CompactFunction.h.

Referenced by CompactFunction(), df(), f(), fdf(), getAsymmetric(), getCoreFunctionType(), setAsymmetric(), and setCoreFunction().

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

/home/runner/work/n2p2/n2p2/src/libnnp/CompactFunction.h
/home/runner/work/n2p2/n2p2/src/libnnp/CompactFunction.cpp

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ CompactFunction()

Member Function Documentation

◆ setCoreFunction()

◆ setCenterWidth()

◆ setLeftRight()

◆ getCoreFunctionType()

◆ setAsymmetric()

◆ getAsymmetric()

◆ getCenter()

◆ getWidth()

◆ getLeft()

◆ getRight()

◆ f()

◆ df()

◆ fdf()

Member Data Documentation

◆ center

◆ width

◆ left

◆ right

◆ scale

◆ core