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

Bondbond_
 

Additional Inherited Members

- Protected Attributes inherited from OpenMD::Bend
RealType potential_
 
BendTypebendType_
 
std::string name_
 
- Protected Attributes inherited from OpenMD::ShortRangeInteraction
SnapshotManagersnapshotMan_
 
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 ( )
virtual

Definition at line 52 of file UreyBradleyBend.cpp.

References bond_.

Member Function Documentation

◆ calcForce()

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

◆ getUreyBradleyBendType()

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

Definition at line 68 of file UreyBradleyBend.hpp.

References OpenMD::Bend::bendType_.

Member Data Documentation

◆ bond_

Bond* OpenMD::UreyBradleyBend::bond_
private

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: