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

#include <ConstraintPair.hpp>

Public Member Functions

 ConstraintPair (ConstraintElem *elem1, ConstraintElem *elem2, RealType len, bool printForce)
 
 ~ConstraintPair ()
 
ConstraintElemgetConsElem1 ()
 
ConstraintElemgetConsElem2 ()
 
bool isMoved ()
 
RealType getConsDistSquare ()
 
void setConstraintForce (RealType frc)
 
void addConstraintForce (RealType frc)
 
void resetConstraintForce ()
 
RealType getConstraintForce ()
 
bool getPrintForce ()
 

Private Attributes

ConstraintElemconsElem1_
 
ConstraintElemconsElem2_
 
RealType dist2
 
RealType force_
 
bool printForce_
 

Detailed Description

Todo:
document

Definition at line 56 of file ConstraintPair.hpp.

Constructor & Destructor Documentation

◆ ConstraintPair()

OpenMD::ConstraintPair::ConstraintPair ( ConstraintElem elem1,
ConstraintElem elem2,
RealType  len,
bool  printForce 
)
inline

Definition at line 60 of file ConstraintPair.hpp.

◆ ~ConstraintPair()

OpenMD::ConstraintPair::~ConstraintPair ( )
inline

Definition at line 65 of file ConstraintPair.hpp.

References consElem1_, and consElem2_.

Member Function Documentation

◆ addConstraintForce()

void OpenMD::ConstraintPair::addConstraintForce ( RealType  frc)
inline

Definition at line 78 of file ConstraintPair.hpp.

References force_.

Referenced by OpenMD::Rattle::constraintPairA(), and OpenMD::Rattle::constraintPairB().

◆ getConsDistSquare()

RealType OpenMD::ConstraintPair::getConsDistSquare ( )
inline

◆ getConsElem1()

◆ getConsElem2()

◆ getConstraintForce()

RealType OpenMD::ConstraintPair::getConstraintForce ( )
inline

Definition at line 80 of file ConstraintPair.hpp.

References force_.

◆ getPrintForce()

bool OpenMD::ConstraintPair::getPrintForce ( )
inline

Definition at line 81 of file ConstraintPair.hpp.

References printForce_.

◆ isMoved()

bool OpenMD::ConstraintPair::isMoved ( )
inline

◆ resetConstraintForce()

void OpenMD::ConstraintPair::resetConstraintForce ( )
inline

Definition at line 79 of file ConstraintPair.hpp.

References force_.

Referenced by OpenMD::Rattle::doConstraint().

◆ setConstraintForce()

void OpenMD::ConstraintPair::setConstraintForce ( RealType  frc)
inline

Definition at line 77 of file ConstraintPair.hpp.

References force_.

Referenced by OpenMD::Shake::constraintPairF(), and OpenMD::Shake::constraintPairR().

Member Data Documentation

◆ consElem1_

ConstraintElem* OpenMD::ConstraintPair::consElem1_
private

Definition at line 85 of file ConstraintPair.hpp.

Referenced by getConsElem1(), isMoved(), and ~ConstraintPair().

◆ consElem2_

ConstraintElem* OpenMD::ConstraintPair::consElem2_
private

Definition at line 86 of file ConstraintPair.hpp.

Referenced by getConsElem2(), isMoved(), and ~ConstraintPair().

◆ dist2

RealType OpenMD::ConstraintPair::dist2
private

Definition at line 87 of file ConstraintPair.hpp.

Referenced by getConsDistSquare().

◆ force_

RealType OpenMD::ConstraintPair::force_
private

◆ printForce_

bool OpenMD::ConstraintPair::printForce_
private

Definition at line 89 of file ConstraintPair.hpp.

Referenced by getPrintForce().


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