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

#include "types/PolynomialTorsionType.hpp"

Inheritance diagram for OpenMD::PolynomialTorsionType:
OpenMD::TorsionType OpenMD::CharmmTorsionType OpenMD::OplsTorsionType OpenMD::TrappeTorsionType

Public Member Functions

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

Private Attributes

DoublePolynomial polynomial_
 

Detailed Description

Todo:
documentation

Definition at line 63 of file PolynomialTorsionType.hpp.

Constructor & Destructor Documentation

◆ PolynomialTorsionType()

OpenMD::PolynomialTorsionType::PolynomialTorsionType ( )
inline

Definition at line 66 of file PolynomialTorsionType.hpp.

Member Function Documentation

◆ addCoefficient()

void OpenMD::PolynomialTorsionType::addCoefficient ( int  power,
RealType  coefficient 
)
inline

◆ calcForce()

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

◆ getCoefficient()

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

◆ setCoefficient()

void OpenMD::PolynomialTorsionType::setCoefficient ( int  power,
RealType  coefficient 
)
inline

◆ setPolynomial()

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

Definition at line 80 of file PolynomialTorsionType.hpp.

References polynomial_.

Referenced by OpenMD::CharmmTorsionType::CharmmTorsionType().

Member Data Documentation

◆ polynomial_

DoublePolynomial OpenMD::PolynomialTorsionType::polynomial_
private

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