OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::PolynomialInversionType Class Reference

#include "types/PolynomialInversionType.hpp"

Inheritance diagram for OpenMD::PolynomialInversionType:
OpenMD::InversionType OpenMD::AmberImproperTorsionType OpenMD::ImproperCosineInversionType

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

◆ calcForce()

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

◆ getCoefficient()

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

◆ 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

◆ setPolynomial()

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

Member Data Documentation

◆ polynomial_

DoublePolynomial OpenMD::PolynomialInversionType::polynomial_
private

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