#include <CoreFunction.h>

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Public Types
enum class	Type { COS , POLY1 , POLY2 , POLY3 , POLY4 , EXP }
	List of available function types. More...

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

void	setType (Type const type)
	Set function type. More...

void	setType (std::string const typeString)
	Set function type. More...

Type	getType () const
	Getter for type. More...

void	setAsymmetric (bool asymmetric)
	Set asymmetric property. More...

bool	getAsymmetric () const
	Getter for asymmetric. More...

double	f (double x) const
	Calculate function value \(f(x)\). More...

double	df (double x) const
	Calculate derivative of function at argument \(\frac{df(x)}{dx}\). More...

void	fdf (double x, double &fx, double &dfx) const
	Calculate function and derivative at once. More...

std::vector< std::string >	info () const
	Get string with formula of compact function. More...

Private Member Functions
double	fCOS (double x) const

double	dfCOS (double x) const

void	fdfCOS (double x, double &fx, double &dfx) const

double	fPOLY1 (double x) const

double	dfPOLY1 (double x) const

void	fdfPOLY1 (double x, double &fx, double &dfx) const

double	fPOLY2 (double x) const

double	dfPOLY2 (double x) const

void	fdfPOLY2 (double x, double &fx, double &dfx) const

double	fPOLY3 (double x) const

double	dfPOLY3 (double x) const

void	fdfPOLY3 (double x, double &fx, double &dfx) const

double	fPOLY4 (double x) const

double	dfPOLY4 (double x) const

void	fdfPOLY4 (double x, double &fx, double &dfx) const

double	fEXP (double x) const

double	dfEXP (double x) const

void	fdfEXP (double x, double &fx, double &dfx) const

Private Attributes
Type	type
	Core function type. More...

bool	asymmetric
	Enables asymmetry modification (use with polynomials). More...

double(CoreFunction::*	fPtr )(double x) const
	Function pointer to f. More...

double(CoreFunction::*	dfPtr )(double x) const
	Function pointer to df. More...

void(CoreFunction::*	fdfPtr )(double x, double &fx, double &dfx) const
	Function pointer to fdf. More...

Static Private Attributes
static double const	PI = 4.0 * atan(1.0)

static double const	PI_2 = 2.0 * atan(1.0)

static double const	E = exp(1.0)

Detailed Description

Definition at line 28 of file CoreFunction.h.

Member Enumeration Documentation

◆ Type

enum class nnp::CoreFunction::Type

strong

List of available function types.

Enumerator
COS	\(f(x) = \frac{1}{2} \left[ \cos (\pi x) + 1\right] \)
POLY1	\(f(x) = (2x - 3)x^2 + 1\)
POLY2	\(f(x) = ((15 - 6x)x - 10) x^3 + 1\)
POLY3	\(f(x) = (x(x(20x - 70) + 84) - 35)x^4 + 1\)
POLY4	\(f(x) = (x(x((315 - 70x)x - 540) + 420) - 126)x^5 + 1\)
EXP	\(f(x) = e^{1 - \frac{1}{1 - x^2}}\)

Definition at line 32 of file CoreFunction.h.

    {
        COS,
        POLY1,
        POLY2,
        POLY3,
        POLY4,
        EXP
    };

Constructor & Destructor Documentation

◆ CoreFunction()

CoreFunction::CoreFunction ( )

Constructor, initializes to #Type::POLY2.

Definition at line 29 of file CoreFunction.cpp.

                           : type      (Type::POLY2            ),
#ifndef N2P2_NO_ASYM_POLY
                               asymmetric(false                  ),
#endif
                               fPtr      (&CoreFunction::  fPOLY2),
                               dfPtr     (&CoreFunction:: dfPOLY2),
                               fdfPtr    (&CoreFunction::fdfPOLY2)
{
}

Member Function Documentation

◆ setType() [1/2]

void CoreFunction::setType ( Type const type )

Set function type.

Parameters

[in] type Type of core function used.

Definition at line 39 of file CoreFunction.cpp.

{
    this->type = type;
 
    if (type == Type::COS)
    {
          fPtr = &CoreFunction::  fCOS;
         dfPtr = &CoreFunction:: dfCOS;
        fdfPtr = &CoreFunction::fdfCOS;
    }
    else if (type == Type::POLY1)
    {
          fPtr = &CoreFunction::  fPOLY1;
         dfPtr = &CoreFunction:: dfPOLY1;
        fdfPtr = &CoreFunction::fdfPOLY1;
    }
    else if (type == Type::POLY2)
    {
          fPtr = &CoreFunction::  fPOLY2;
         dfPtr = &CoreFunction:: dfPOLY2;
        fdfPtr = &CoreFunction::fdfPOLY2;
    }
    else if (type == Type::POLY3)
    {
          fPtr = &CoreFunction::  fPOLY3;
         dfPtr = &CoreFunction:: dfPOLY3;
        fdfPtr = &CoreFunction::fdfPOLY3;
    }
    else if (type == Type::POLY4)
    {
          fPtr = &CoreFunction::  fPOLY4;
         dfPtr = &CoreFunction:: dfPOLY4;
        fdfPtr = &CoreFunction::fdfPOLY4;
    }
    else if (type == Type::EXP)
    {
          fPtr = &CoreFunction::  fEXP;
         dfPtr = &CoreFunction:: dfEXP;
        fdfPtr = &CoreFunction::fdfEXP;
    }
    else
    {
        throw invalid_argument("ERROR: Unknown core function.\n");
    }
 
    return;
}

References COS, dfCOS(), dfEXP(), dfPOLY1(), dfPOLY2(), dfPOLY3(), dfPOLY4(), dfPtr, EXP, fCOS(), fdfCOS(), fdfEXP(), fdfPOLY1(), fdfPOLY2(), fdfPOLY3(), fdfPOLY4(), fdfPtr, fEXP(), fPOLY1(), fPOLY2(), fPOLY3(), fPOLY4(), fPtr, POLY1, POLY2, POLY3, POLY4, and type.

Referenced by nnp::CompactFunction::CompactFunction(), nnp::ScreeningFunction::ScreeningFunction(), nnp::CompactFunction::setCoreFunction(), nnp::ScreeningFunction::setCoreFunction(), nnp::CutoffFunction::setCutoffType(), and setType().

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◆ setType() [2/2]

void CoreFunction::setType ( std::string const typeString )

Set function type.

Parameters

[in] typeString Type (string version) of core function used.

Definition at line 87 of file CoreFunction.cpp.

{
    CoreFunction::Type t;
 
    if      (typeString == "c")  t = CoreFunction::Type::COS;
    else if (typeString == "p1") t = CoreFunction::Type::POLY1;
    else if (typeString == "p2") t = CoreFunction::Type::POLY2;
    else if (typeString == "p3") t = CoreFunction::Type::POLY3;
    else if (typeString == "p4") t = CoreFunction::Type::POLY4;
    else if (typeString == "e")  t = CoreFunction::Type::EXP;
    else
    {
        throw invalid_argument("ERROR: Unknown CoreFunction type.\n");
    }
 
    setType(t);
 
    return;
}

References COS, EXP, POLY1, POLY2, POLY3, POLY4, and setType().

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◆ getType()

CoreFunction::Type nnp::CoreFunction::getType ( ) const

inline

Getter for type.

Returns: Type used.

Definition at line 158 of file CoreFunction.h.

158{ return type; }

References type.

Referenced by nnp::CompactFunction::getCoreFunctionType(), and nnp::ScreeningFunction::getCoreFunctionType().

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◆ setAsymmetric()

void nnp::CoreFunction::setAsymmetric ( bool asymmetric )

inline

Set asymmetric property.

Parameters

[in] asymmetric Whether asymmetry should be activated.

Definition at line 161 of file CoreFunction.h.

{
    this->asymmetric = asymmetric;
 
    return;
}

References asymmetric.

Referenced by nnp::CompactFunction::setAsymmetric().

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◆ getAsymmetric()

bool nnp::CoreFunction::getAsymmetric ( ) const

inline

Getter for asymmetric.

Returns: Whether asymmetry is activated.

Definition at line 168 of file CoreFunction.h.

168{ return asymmetric; }

References asymmetric.

Referenced by nnp::CompactFunction::getAsymmetric().

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◆ f()

double nnp::CoreFunction::f ( double x ) const

inline

Calculate function value \(f(x)\).

Parameters

[in] x Function argument.

Returns: Function value.

Definition at line 171 of file CoreFunction.h.

{
#ifndef N2P2_NO_ASYM_POLY
    if (asymmetric) x = (2.0 - x) * x;
#endif
    return (this->*fPtr)(x);
}

References asymmetric, and fPtr.

Referenced by nnp::CompactFunction::f(), nnp::ScreeningFunction::f(), and nnp::CutoffFunction::fCORE().

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◆ df()

double nnp::CoreFunction::df ( double x ) const

inline

Calculate derivative of function at argument \(\frac{df(x)}{dx}\).

Parameters

[in] x Function argument.

Returns: Function derivative value.

Definition at line 179 of file CoreFunction.h.

{
#ifndef N2P2_NO_ASYM_POLY
    if (asymmetric) return (2.0 - 2.0 * x) * (this->*dfPtr)((2.0 - x) * x);
    else return (this->*dfPtr)(x);
#else
    return (this->*dfPtr)(x);
#endif
}

References asymmetric, and dfPtr.

Referenced by nnp::CompactFunction::df(), nnp::ScreeningFunction::df(), and nnp::CutoffFunction::dfCORE().

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◆ fdf()

void nnp::CoreFunction::fdf	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inline

Calculate function and derivative at once.

Parameters

[in]	x	Function argument.
[out]	fx	Function value.
[out]	dfx	Derivative value.

Definition at line 189 of file CoreFunction.h.

{
#ifndef N2P2_NO_ASYM_POLY
    if (asymmetric)
    {
        (this->*fdfPtr)((2.0 - x) * x, fx, dfx);
        dfx *= 2.0 - 2.0 * x;
    }
    else (this->*fdfPtr)(x, fx, dfx);
#else
    (this->*fdfPtr)(x, fx, dfx);
#endif
    return;
}

References asymmetric, and fdfPtr.

Referenced by nnp::CompactFunction::fdf(), nnp::ScreeningFunction::fdf(), and nnp::CutoffFunction::fdfCORE().

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◆ info()

vector< string > CoreFunction::info ( ) const

Get string with formula of compact function.

Returns: Information string.

Definition at line 107 of file CoreFunction.cpp.

{
    vector<string> v;
 
    if (type == Type::COS)
    {
        v.push_back(strpr("CoreFunction::Type::COS (%d):\n", type));
        v.push_back("f(x) := 1/2 * (cos(pi*x) + 1)\n");
    }
    else if (type == Type::POLY1)
    {
        v.push_back(strpr("CoreFunction::Type::POLY1 (%d):\n", type));
        v.push_back("f(x) := (2x - 3)x^2 + 1\n");
    }
    else if (type == Type::POLY2)
    {
        v.push_back(strpr("CoreFunction::Type::POLY2 (%d):\n", type));
        v.push_back("f(x) := ((15 - 6x)x - 10)x^3 + 1\n");
    }
    else if (type == Type::POLY3)
    {
        v.push_back(strpr("CoreFunction::Type::POLY3 (%d):\n", type));
        v.push_back("f(x) := (x(x(20x - 70) + 84) - 35)x^4 + 1\n");
    }
    else if (type == Type::POLY4)
    {
        v.push_back(strpr("CoreFunction::Type::POLY4 (%d):\n", type));
        v.push_back("f(x) := (x(x((315 - 70x)x - 540) + 420) - 126)x^5 + 1\n");
    }
    else if (type == Type::EXP)
    {
        v.push_back(strpr("CoreFunction::Type::EXP (%d):\n", type));
        v.push_back("f(x) := exp(-1 / 1 - x^2)\n");
    }
 
    return v;
}

References COS, EXP, POLY1, POLY2, POLY3, POLY4, nnp::strpr(), and type.

Referenced by nnp::ScreeningFunction::info().

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◆ fCOS()

double nnp::CoreFunction::fCOS ( double x ) const

inlineprivate

Definition at line 204 of file CoreFunction.h.

{
    return 0.5 * (cos(PI * x) + 1.0);
}

References PI.

Referenced by setType().

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◆ dfCOS()

double nnp::CoreFunction::dfCOS ( double x ) const

inlineprivate

Definition at line 209 of file CoreFunction.h.

{
    return -PI_2 * sin(PI * x);
}

References PI, and PI_2.

Referenced by setType().

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◆ fdfCOS()

void nnp::CoreFunction::fdfCOS	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 214 of file CoreFunction.h.

{
    double const temp = cos(PI * x);
    fx = 0.5 * (temp + 1.0);
    dfx = -0.5 * PI * sqrt(1.0 - temp * temp);
    return;
}

References PI.

Referenced by setType().

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◆ fPOLY1()

double nnp::CoreFunction::fPOLY1 ( double x ) const

inlineprivate

Definition at line 222 of file CoreFunction.h.

{
    return (2.0 * x - 3.0) * x * x + 1.0;
}

Referenced by setType().

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◆ dfPOLY1()

double nnp::CoreFunction::dfPOLY1 ( double x ) const

inlineprivate

Definition at line 227 of file CoreFunction.h.

{
    return x * (6.0 * x - 6.0);
}

Referenced by setType().

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◆ fdfPOLY1()

void nnp::CoreFunction::fdfPOLY1	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 232 of file CoreFunction.h.

{
    fx = (2.0 * x - 3.0) * x * x + 1.0;
    dfx = x * (6.0 * x - 6.0);
    return;
}

Referenced by setType().

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◆ fPOLY2()

double nnp::CoreFunction::fPOLY2 ( double x ) const

inlineprivate

Definition at line 239 of file CoreFunction.h.

{
    return ((15.0 - 6.0 * x) * x - 10.0) * x * x * x + 1.0;
}

Referenced by setType().

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◆ dfPOLY2()

double nnp::CoreFunction::dfPOLY2 ( double x ) const

inlineprivate

Definition at line 244 of file CoreFunction.h.

{
    return x * x * ((60.0 - 30.0 * x) * x - 30.0);
}

Referenced by setType().

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◆ fdfPOLY2()

void nnp::CoreFunction::fdfPOLY2	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 249 of file CoreFunction.h.

{
    double const x2 = x * x;
    fx = ((15.0 - 6.0 * x) * x - 10.0) * x * x2 + 1.0;
    dfx = x2 * ((60.0 - 30.0 * x) * x - 30.0);
    return;
}

Referenced by setType().

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◆ fPOLY3()

double nnp::CoreFunction::fPOLY3 ( double x ) const

inlineprivate

Definition at line 257 of file CoreFunction.h.

{
    double const x2 = x * x;
    return (x * (x * (20.0 * x - 70.0) + 84.0) - 35.0) * x2 * x2 + 1.0;
}

Referenced by setType().

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◆ dfPOLY3()

double nnp::CoreFunction::dfPOLY3 ( double x ) const

inlineprivate

Definition at line 263 of file CoreFunction.h.

{
    return x * x * x * (x * (x * (140.0 * x - 420.0) + 420.0) - 140.0);
}

Referenced by setType().

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◆ fdfPOLY3()

void nnp::CoreFunction::fdfPOLY3	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 268 of file CoreFunction.h.

{
    double const x2 = x * x;
    fx = (x * (x * (20.0 * x - 70.0) + 84.0) - 35.0) * x2 * x2 + 1.0;
    dfx = x2 * x * (x * (x * (140.0 * x - 420.0) + 420.0) - 140.0);
    return;
}

Referenced by setType().

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◆ fPOLY4()

double nnp::CoreFunction::fPOLY4 ( double x ) const

inlineprivate

Definition at line 276 of file CoreFunction.h.

{
    double const x2 = x * x;
    return (x * (x * ((315.0 - 70.0 * x) * x - 540.0) + 420.0) - 126.0) *
           x2 * x2 * x + 1.0;
}

Referenced by setType().

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◆ dfPOLY4()

double nnp::CoreFunction::dfPOLY4 ( double x ) const

inlineprivate

Definition at line 283 of file CoreFunction.h.

{
    double const x2 = x * x;
    return x2 * x2 *
           (x * (x * ((2520.0 - 630.0 * x) * x - 3780.0) + 2520.0) - 630.0);
}

Referenced by setType().

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◆ fdfPOLY4()

void nnp::CoreFunction::fdfPOLY4	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 290 of file CoreFunction.h.

{
    double x4 = x * x;
    x4 *= x4;
    fx = (x * (x * ((315.0 - 70.0 * x) * x - 540.0) + 420.0) - 126.0) *
         x * x4 + 1.0;
    dfx = x4 *
          (x * (x * ((2520.0 - 630.0 * x) * x - 3780.0) + 2520.0) - 630.0);
    return;
}

Referenced by setType().

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◆ fEXP()

double nnp::CoreFunction::fEXP ( double x ) const

inlineprivate

Definition at line 301 of file CoreFunction.h.

{
    return E * exp(1.0 / (x * x - 1.0));
}

References E.

Referenced by setType().

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◆ dfEXP()

double nnp::CoreFunction::dfEXP ( double x ) const

inlineprivate

Definition at line 306 of file CoreFunction.h.

{
    double const temp = 1.0 / (x * x - 1.0);
    return -2.0 * E * x * temp * temp * exp(temp);
}

References E.

Referenced by setType().

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◆ fdfEXP()

void nnp::CoreFunction::fdfEXP	(	double	x,
		double &	fx,
		double &	dfx
	)		const

inlineprivate

Definition at line 312 of file CoreFunction.h.

{
    double const temp = 1.0 / (x * x - 1.0);
    double const temp2 = exp(temp);
    fc = E * temp2;
    dfc = -2.0 * E * x * temp * temp * temp2;
    return;
}

References E, and fc.

Referenced by setType().

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Member Data Documentation

◆ PI

double const CoreFunction::PI = 4.0 * atan(1.0)

staticprivate

Definition at line 110 of file CoreFunction.h.

Referenced by dfCOS(), fCOS(), and fdfCOS().

◆ PI_2

double const CoreFunction::PI_2 = 2.0 * atan(1.0)

staticprivate

Definition at line 111 of file CoreFunction.h.

Referenced by dfCOS().

◆ E

double const CoreFunction::E = exp(1.0)

staticprivate

Definition at line 112 of file CoreFunction.h.

Referenced by dfEXP(), fdfEXP(), and fEXP().

◆ type

Type nnp::CoreFunction::type

private

Core function type.

Definition at line 114 of file CoreFunction.h.

Referenced by getType(), info(), and setType().

◆ asymmetric

bool nnp::CoreFunction::asymmetric

private

Enables asymmetry modification (use with polynomials).

Definition at line 117 of file CoreFunction.h.

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

◆ fPtr

double(CoreFunction::* nnp::CoreFunction::fPtr) (double x) const

private

Function pointer to f.

Definition at line 120 of file CoreFunction.h.

Referenced by f(), and setType().

◆ dfPtr

double(CoreFunction::* nnp::CoreFunction::dfPtr) (double x) const

private

Function pointer to df.

Definition at line 122 of file CoreFunction.h.

Referenced by df(), and setType().

◆ fdfPtr

void(CoreFunction::* nnp::CoreFunction::fdfPtr) (double x, double &fx, double &dfx) const

private

Function pointer to fdf.

Definition at line 124 of file CoreFunction.h.

Referenced by fdf(), and setType().

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

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

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Static Private Attributes

Detailed Description

Member Enumeration Documentation

◆ Type

Constructor & Destructor Documentation

◆ CoreFunction()

Member Function Documentation

◆ setType() [1/2]

◆ setType() [2/2]

◆ getType()

◆ setAsymmetric()

◆ getAsymmetric()

◆ f()

◆ df()

◆ fdf()

◆ info()

◆ fCOS()

◆ dfCOS()

◆ fdfCOS()

◆ fPOLY1()

◆ dfPOLY1()

◆ fdfPOLY1()

◆ fPOLY2()

◆ dfPOLY2()

◆ fdfPOLY2()

◆ fPOLY3()

◆ dfPOLY3()

◆ fdfPOLY3()

◆ fPOLY4()

◆ dfPOLY4()

◆ fdfPOLY4()

◆ fEXP()

◆ dfEXP()

◆ fdfEXP()

Member Data Documentation

◆ PI

◆ PI_2

◆ E

◆ type

◆ asymmetric

◆ fPtr

◆ dfPtr

◆ fdfPtr