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

#include <BondStamp.hpp>

Inheritance diagram for OpenMD::BondStamp:
OpenMD::DataHolder

Public Member Functions

 BondStamp ()
 
virtual ~BondStamp ()
 
void setMembers (std::vector< int > members)
 
void overrideType (std::string type, RealType pars)
 
void overrideType (std::string type, std::vector< RealType > pars)
 
int getA ()
 
int getB ()
 
virtual void validate ()
 
bool hasOverride ()
 
std::string getOverrideType ()
 
std::vector< RealType > getOverridePars ()
 
- Public Member Functions inherited from OpenMD::DataHolder
 DataHolder ()
 
virtual ~DataHolder ()
 
template<class T >
void assign (const std::string &keyword, T val)
 

Private Attributes

int a
 
int b
 
bool hasOverride_
 
std::string orType_
 
std::vector< RealType > orPars_
 

Additional Inherited Members

- Protected Types inherited from OpenMD::DataHolder
typedef std::map< std::string, ParameterBase * > ParamMap
 
- Protected Attributes inherited from OpenMD::DataHolder
ParamMap parameters_
 
std::set< std::string > deprecatedKeywords_
 

Detailed Description

Definition at line 49 of file BondStamp.hpp.

Constructor & Destructor Documentation

◆ BondStamp()

OpenMD::BondStamp::BondStamp ( )

Definition at line 49 of file BondStamp.cpp.

◆ ~BondStamp()

OpenMD::BondStamp::~BondStamp ( )
virtual

Definition at line 52 of file BondStamp.cpp.

Member Function Documentation

◆ getA()

◆ getB()

◆ getOverridePars()

std::vector<RealType> OpenMD::BondStamp::getOverridePars ( )
inline

Definition at line 92 of file BondStamp.hpp.

References orPars_.

Referenced by OpenMD::MoleculeCreator::createBond().

◆ getOverrideType()

std::string OpenMD::BondStamp::getOverrideType ( )
inline

Definition at line 88 of file BondStamp.hpp.

References orType_.

Referenced by OpenMD::MoleculeCreator::createBond().

◆ hasOverride()

bool OpenMD::BondStamp::hasOverride ( )
inline

Definition at line 87 of file BondStamp.hpp.

References hasOverride_.

Referenced by OpenMD::MoleculeCreator::createBond().

◆ overrideType() [1/2]

void OpenMD::BondStamp::overrideType ( std::string  type,
RealType  pars 
)
inline

Definition at line 71 of file BondStamp.hpp.

References hasOverride_, orPars_, and orType_.

Referenced by MDTreeParser::bondstatement().

◆ overrideType() [2/2]

void OpenMD::BondStamp::overrideType ( std::string  type,
std::vector< RealType >  pars 
)
inline

Definition at line 77 of file BondStamp.hpp.

References hasOverride_, orPars_, and orType_.

◆ setMembers()

void OpenMD::BondStamp::setMembers ( std::vector< int >  members)
inline

Definition at line 55 of file BondStamp.hpp.

References a, b, and OpenMD::containerToString().

Referenced by MDTreeParser::bondstatement().

◆ validate()

void OpenMD::BondStamp::validate ( )
virtual

Reimplemented from OpenMD::DataHolder.

Definition at line 55 of file BondStamp.cpp.

References OpenMD::DataHolder::validate().

Referenced by getB().

Member Data Documentation

◆ a

int OpenMD::BondStamp::a
private

Definition at line 97 of file BondStamp.hpp.

Referenced by getA(), and setMembers().

◆ b

int OpenMD::BondStamp::b
private

Definition at line 98 of file BondStamp.hpp.

Referenced by getB(), and setMembers().

◆ hasOverride_

bool OpenMD::BondStamp::hasOverride_
private

Definition at line 99 of file BondStamp.hpp.

Referenced by hasOverride(), and overrideType().

◆ orPars_

std::vector<RealType> OpenMD::BondStamp::orPars_
private

Definition at line 101 of file BondStamp.hpp.

Referenced by getOverridePars(), and overrideType().

◆ orType_

std::string OpenMD::BondStamp::orType_
private

Definition at line 100 of file BondStamp.hpp.

Referenced by getOverrideType(), and overrideType().


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