OpenMD::PolynomialInversionType Class Reference

#include "types/PolynomialInversionType.hpp"

Inheritance diagram for OpenMD::PolynomialInversionType:

Public Member Functions
	PolynomialInversionType ()
RealType	getCoefficient (int power)
void	addCoefficient (int power, RealType coefficient)
void	setCoefficient (int power, RealType coefficient)
void	setPolynomial (DoublePolynomial p)
virtual InversionKey	getKey ()
virtual void	calcForce (RealType cosPhi, RealType &V, RealType &dVdCosPhi)
Public Member Functions inherited from OpenMD::InversionType
virtual	~InversionType ()

Private Attributes
DoublePolynomial	polynomial_

Detailed Description

Todo:

documentation

Definition at line 62 of file PolynomialInversionType.hpp.

Constructor & Destructor Documentation

PolynomialInversionType()

OpenMD::PolynomialInversionType::PolynomialInversionType ( )

inline

Definition at line 65 of file PolynomialInversionType.hpp.

Member Function Documentation

addCoefficient()

void OpenMD::PolynomialInversionType::addCoefficient ( int  power, RealType  coefficient  )

inline

Definition at line 71 of file PolynomialInversionType.hpp.

References OpenMD::Polynomial< Real >::addCoefficient(), and polynomial_.

calcForce()

virtual void OpenMD::PolynomialInversionType::calcForce ( RealType  cosPhi, RealType &  V, RealType &  dVdCosPhi  )

inlinevirtual

Implements OpenMD::InversionType.

Definition at line 85 of file PolynomialInversionType.hpp.

References OpenMD::Polynomial< Real >::evaluate(), OpenMD::Polynomial< Real >::evaluateDerivative(), and polynomial_.

getCoefficient()

RealType OpenMD::PolynomialInversionType::getCoefficient ( int  power )

inline

Definition at line 67 of file PolynomialInversionType.hpp.

References OpenMD::Polynomial< Real >::getCoefficient(), and polynomial_.

getKey()

virtual InversionKey OpenMD::PolynomialInversionType::getKey ( )

inlinevirtual

Implements OpenMD::InversionType.

Definition at line 83 of file PolynomialInversionType.hpp.

References OpenMD::itCosAngle.

setCoefficient()

void OpenMD::PolynomialInversionType::setCoefficient ( int  power, RealType  coefficient  )

inline

Definition at line 75 of file PolynomialInversionType.hpp.

References polynomial_, and OpenMD::Polynomial< Real >::setCoefficient().

Referenced by OpenMD::AmberImproperTorsionType::AmberImproperTorsionType().

setPolynomial()

void OpenMD::PolynomialInversionType::setPolynomial ( DoublePolynomial  p )

inline

Definition at line 79 of file PolynomialInversionType.hpp.

References polynomial_.

Referenced by OpenMD::ImproperCosineInversionType::ImproperCosineInversionType().

Member Data Documentation

polynomial_

DoublePolynomial OpenMD::PolynomialInversionType::polynomial_

private

Definition at line 93 of file PolynomialInversionType.hpp.

Referenced by addCoefficient(), calcForce(), getCoefficient(), setCoefficient(), and setPolynomial().

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

• types/PolynomialInversionType.hpp