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

#include <UreyBradleyBendType.hpp>

Inheritance diagram for OpenMD::UreyBradleyBendType:
OpenMD::HarmonicBendType OpenMD::BendType

Public Member Functions

 UreyBradleyBendType (RealType theta0, RealType ktheta, RealType s0, RealType kub)
 
RealType getUBForceConstant ()
 
void setUBForceConstant (RealType kub)
 
RealType getUBLength ()
 
void setUBLength (RealType s)
 
HarmonicBondTypegetHarmonicBondType ()
 
- Public Member Functions inherited from OpenMD::HarmonicBendType
 HarmonicBendType (RealType theta, RealType k)
 
void setForceConstant (RealType k)
 
RealType getForceConstant ()
 
void calcForce (RealType theta, RealType &V, RealType &dVdr)
 
- Public Member Functions inherited from OpenMD::BendType
 BendType (RealType theta)
 
virtual ~BendType ()
 
RealType getTheta ()
 
void setTheta (RealType theta)
 

Private Attributes

RealType k_
 
HarmonicBondType hbt_
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::BendType
RealType theta0_
 

Detailed Description

Todo:
documentation

Definition at line 61 of file UreyBradleyBendType.hpp.

Constructor & Destructor Documentation

◆ UreyBradleyBendType()

OpenMD::UreyBradleyBendType::UreyBradleyBendType ( RealType  theta0,
RealType  ktheta,
RealType  s0,
RealType  kub 
)
inline

Definition at line 65 of file UreyBradleyBendType.hpp.

Member Function Documentation

◆ getHarmonicBondType()

HarmonicBondType* OpenMD::UreyBradleyBendType::getHarmonicBondType ( )
inline

Definition at line 86 of file UreyBradleyBendType.hpp.

References hbt_.

Referenced by OpenMD::UreyBradleyBend::UreyBradleyBend().

◆ getUBForceConstant()

RealType OpenMD::UreyBradleyBendType::getUBForceConstant ( )
inline

Definition at line 70 of file UreyBradleyBendType.hpp.

References OpenMD::HarmonicBondType::getForceConstant(), and hbt_.

◆ getUBLength()

RealType OpenMD::UreyBradleyBendType::getUBLength ( )
inline

Definition at line 78 of file UreyBradleyBendType.hpp.

References OpenMD::BondType::getEquilibriumBondLength(), and hbt_.

◆ setUBForceConstant()

void OpenMD::UreyBradleyBendType::setUBForceConstant ( RealType  kub)
inline

Definition at line 74 of file UreyBradleyBendType.hpp.

References hbt_, and OpenMD::HarmonicBondType::setForceConstant().

◆ setUBLength()

void OpenMD::UreyBradleyBendType::setUBLength ( RealType  s)
inline

Definition at line 82 of file UreyBradleyBendType.hpp.

References hbt_, and OpenMD::BondType::setEquilibriumBondLength().

Member Data Documentation

◆ hbt_

HarmonicBondType OpenMD::UreyBradleyBendType::hbt_
private

◆ k_

RealType OpenMD::UreyBradleyBendType::k_
private

Definition at line 92 of file UreyBradleyBendType.hpp.


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