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

#include <NonBondedInteractionType.hpp>

Inheritance diagram for OpenMD::NonBondedInteractionType:
OpenMD::BuckinghamInteractionType OpenMD::EAMInteractionType OpenMD::LennardJonesInteractionType OpenMD::MAWInteractionType OpenMD::MieInteractionType OpenMD::MorseInteractionType OpenMD::RepulsivePowerInteractionType

Public Member Functions

 NonBondedInteractionType ()
 
virtual ~NonBondedInteractionType ()
 
void setLennardJones ()
 
bool isLennardJones ()
 
void setMorse ()
 
bool isMorse ()
 
void setMAW ()
 
bool isMAW ()
 
void setEAMTable ()
 
bool isEAMTable ()
 
void setEAMZhou ()
 
bool isEAMZhou ()
 
bool isSC ()
 
void setSC ()
 
bool isMetal ()
 
void setRepulsivePower ()
 
bool isRepulsivePower ()
 
void setMie ()
 
bool isMie ()
 
void setBuckingham ()
 
bool isBuckingham ()
 
void setAtomTypes (std::pair< AtomType *, AtomType *> ats)
 
std::pair< AtomType *, AtomType * > getAtomTypes ()
 
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 Attributes

NonBondedInteractionTypeProperties nbitp
 
std::pair< AtomType *, AtomType * > atomTypes_
 

Private Member Functions

 NonBondedInteractionType (const NonBondedInteractionType &)
 
NonBondedInteractionTypeoperator= (const NonBondedInteractionType &nbit)
 

Private Attributes

PropertyMap properties_
 

Detailed Description

NonBondedInteractionType class is responsible for keeping track of static (unchanging) parameters for explicit non-bonded interactions.

Definition at line 76 of file NonBondedInteractionType.hpp.

Constructor & Destructor Documentation

◆ NonBondedInteractionType() [1/2]

◆ ~NonBondedInteractionType()

◆ NonBondedInteractionType() [2/2]

OpenMD::NonBondedInteractionType::NonBondedInteractionType ( const NonBondedInteractionType )
private

Member Function Documentation

◆ addProperty()

void OpenMD::NonBondedInteractionType::addProperty ( GenericData genData)

Adds property into property map

Parameters
genDataGenericData to be added into PropertyMap

Definition at line 74 of file NonBondedInteractionType.cpp.

References OpenMD::PropertyMap::addProperty(), and properties_.

Referenced by ~NonBondedInteractionType().

◆ clearProperties()

void OpenMD::NonBondedInteractionType::clearProperties ( )

clear all of the properties

Definition at line 82 of file NonBondedInteractionType.cpp.

References OpenMD::PropertyMap::clearProperties(), and properties_.

Referenced by ~NonBondedInteractionType().

◆ getAtomTypes()

std::pair< AtomType *, AtomType * > OpenMD::NonBondedInteractionType::getAtomTypes ( )

Definition at line 70 of file NonBondedInteractionType.cpp.

References atomTypes_.

Referenced by ~NonBondedInteractionType().

◆ getProperties()

std::vector< GenericData * > OpenMD::NonBondedInteractionType::getProperties ( )

Returns all of the properties in PropertyMap

Returns
all of the properties in PropertyMap

Definition at line 90 of file NonBondedInteractionType.cpp.

References OpenMD::PropertyMap::getProperties(), and properties_.

Referenced by ~NonBondedInteractionType().

◆ getPropertyByName()

GenericData * OpenMD::NonBondedInteractionType::getPropertyByName ( const std::string &  propName)

Returns property

Parameters
propNamename of property
Returns
a pointer point to property with propName. If no property named propName exists, return NULL

Definition at line 94 of file NonBondedInteractionType.cpp.

References OpenMD::PropertyMap::getPropertyByName(), and properties_.

Referenced by ~NonBondedInteractionType().

◆ getPropertyNames()

std::vector< std::string > OpenMD::NonBondedInteractionType::getPropertyNames ( )

Returns all names of properties

Returns
all names of properties

Definition at line 86 of file NonBondedInteractionType.cpp.

References OpenMD::PropertyMap::getPropertyNames(), and properties_.

Referenced by ~NonBondedInteractionType().

◆ isBuckingham()

bool OpenMD::NonBondedInteractionType::isBuckingham ( )

◆ isEAMTable()

bool OpenMD::NonBondedInteractionType::isEAMTable ( )

◆ isEAMZhou()

bool OpenMD::NonBondedInteractionType::isEAMZhou ( )

◆ isLennardJones()

bool OpenMD::NonBondedInteractionType::isLennardJones ( )

◆ isMAW()

bool OpenMD::NonBondedInteractionType::isMAW ( )

◆ isMetal()

bool OpenMD::NonBondedInteractionType::isMetal ( )

Definition at line 146 of file NonBondedInteractionType.cpp.

References isEAMTable(), isEAMZhou(), and isSC().

Referenced by ~NonBondedInteractionType().

◆ isMie()

bool OpenMD::NonBondedInteractionType::isMie ( )

◆ isMorse()

bool OpenMD::NonBondedInteractionType::isMorse ( )

◆ isRepulsivePower()

bool OpenMD::NonBondedInteractionType::isRepulsivePower ( )

◆ isSC()

bool OpenMD::NonBondedInteractionType::isSC ( )

◆ operator=()

NonBondedInteractionType& OpenMD::NonBondedInteractionType::operator= ( const NonBondedInteractionType nbit)
private

◆ removeProperty()

void OpenMD::NonBondedInteractionType::removeProperty ( const std::string &  propName)

Removes property from PropertyMap by name

Parameters
propNamethe name of property to be removed

Definition at line 78 of file NonBondedInteractionType.cpp.

References properties_, and OpenMD::PropertyMap::removeProperty().

Referenced by ~NonBondedInteractionType().

◆ setAtomTypes()

void OpenMD::NonBondedInteractionType::setAtomTypes ( std::pair< AtomType *, AtomType *>  ats)

Definition at line 66 of file NonBondedInteractionType.cpp.

References atomTypes_.

Referenced by ~NonBondedInteractionType().

◆ setBuckingham()

void OpenMD::NonBondedInteractionType::setBuckingham ( )

◆ setEAMTable()

void OpenMD::NonBondedInteractionType::setEAMTable ( )

◆ setEAMZhou()

void OpenMD::NonBondedInteractionType::setEAMZhou ( )

◆ setLennardJones()

void OpenMD::NonBondedInteractionType::setLennardJones ( )

◆ setMAW()

void OpenMD::NonBondedInteractionType::setMAW ( )

◆ setMie()

void OpenMD::NonBondedInteractionType::setMie ( )

◆ setMorse()

void OpenMD::NonBondedInteractionType::setMorse ( )

◆ setRepulsivePower()

void OpenMD::NonBondedInteractionType::setRepulsivePower ( )

◆ setSC()

void OpenMD::NonBondedInteractionType::setSC ( )

Member Data Documentation

◆ atomTypes_

std::pair<AtomType*, AtomType*> OpenMD::NonBondedInteractionType::atomTypes_
protected

◆ nbitp

◆ properties_

PropertyMap OpenMD::NonBondedInteractionType::properties_
private

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