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

#include <UreyBradleyBend.hpp>

Inheritance diagram for OpenMD::UreyBradleyBend:
OpenMD::Bend OpenMD::ShortRangeInteraction

Public Member Functions

 UreyBradleyBend (Atom *atom1, Atom *atom2, Atom *atom3, UreyBradleyBendType *bt)
virtual ~UreyBradleyBend ()
virtual void calcForce (RealType &angle, bool doParticlePot)
- Public Member Functions inherited from OpenMD::Bend
 Bend (Atom *atom1, Atom *atom2, Atom *atom3, BendType *bt)
virtual ~Bend ()
RealType getValue (int snapshotNo)
RealType getPotential ()
AtomgetAtomA ()
AtomgetAtomB ()
AtomgetAtomC ()
BendTypegetBendType ()
virtual std::string getName ()
virtual void setName (const std::string &name)
void accept (BaseVisitor *v)
- Public Member Functions inherited from OpenMD::ShortRangeInteraction
virtual ~ShortRangeInteraction ()
int getGlobalIndex ()
void setGlobalIndex (int index)
int getLocalIndex ()
void setLocalIndex (int index)
void setSnapshotManager (SnapshotManager *sman)
virtual RealType getPrevValue ()
virtual RealType getValue ()
virtual std::vector< Atom * > getAtoms ()
void addProperty (GenericData *genData)
void removeProperty (const std::string &propName)
void clearProperties ()
std::vector< std::string > getPropertyNames ()
std::vector< GenericData * > getProperties ()
GenericDatagetPropertyByName (const std::string &propName)

Protected Member Functions

virtual UreyBradleyBendTypegetUreyBradleyBendType ()
- Protected Member Functions inherited from OpenMD::ShortRangeInteraction
 ShortRangeInteraction ()
 ShortRangeInteraction (const ShortRangeInteraction &sri)
ShortRangeInteractionoperator= (const ShortRangeInteraction &sri)

Private Attributes


Additional Inherited Members

- Protected Attributes inherited from OpenMD::Bend
RealType potential_
std::string name_
- Protected Attributes inherited from OpenMD::ShortRangeInteraction
std::vector< Atom * > atoms_
int globalIndex_
int localIndex_

Detailed Description

Definition at line 60 of file UreyBradleyBend.hpp.

Constructor & Destructor Documentation

◆ UreyBradleyBend()

OpenMD::UreyBradleyBend::UreyBradleyBend ( Atom atom1,
Atom atom2,
Atom atom3,
UreyBradleyBendType bt 

◆ ~UreyBradleyBend()

OpenMD::UreyBradleyBend::~UreyBradleyBend ( )

Definition at line 52 of file UreyBradleyBend.cpp.

References bond_.

Member Function Documentation

◆ calcForce()

void OpenMD::UreyBradleyBend::calcForce ( RealType &  angle,
bool  doParticlePot 

◆ getUreyBradleyBendType()

virtual UreyBradleyBendType* OpenMD::UreyBradleyBend::getUreyBradleyBendType ( )

Definition at line 68 of file UreyBradleyBend.hpp.

References OpenMD::Bend::bendType_.

Member Data Documentation

◆ bond_

Bond* OpenMD::UreyBradleyBend::bond_

Definition at line 73 of file UreyBradleyBend.hpp.

Referenced by calcForce(), UreyBradleyBend(), and ~UreyBradleyBend().

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