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

#include <InversionStamp.hpp>

Inheritance diagram for OpenMD::InversionStamp:
OpenMD::DataHolder

Public Member Functions

 InversionStamp ()
 
virtual ~InversionStamp ()
 
int getCenter ()
 
int getSatelliteAt (int index)
 
int getNSatellites ()
 
std::vector< int > getSatellites ()
 
void setCenter (int center)
 
void addSatellite (int sat)
 
void setSatellites (const std::vector< int > &sats)
 
void overrideType (std::string type, std::vector< RealType > pars)
 
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 Member Functions

 DeclareParameter (GhostVectorSource, int)
 

Private Attributes

int center_
 
std::vector< int > satellites_
 
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 48 of file InversionStamp.hpp.

Constructor & Destructor Documentation

◆ InversionStamp()

OpenMD::InversionStamp::InversionStamp ( )

Definition at line 49 of file InversionStamp.cpp.

◆ ~InversionStamp()

OpenMD::InversionStamp::~InversionStamp ( )
virtual

Definition at line 52 of file InversionStamp.cpp.

Member Function Documentation

◆ addSatellite()

void OpenMD::InversionStamp::addSatellite ( int  sat)
inline

Definition at line 60 of file InversionStamp.hpp.

References satellites_.

◆ DeclareParameter()

OpenMD::InversionStamp::DeclareParameter ( GhostVectorSource  ,
int   
)
private

◆ getCenter()

int OpenMD::InversionStamp::getCenter ( )
inline

◆ getNSatellites()

int OpenMD::InversionStamp::getNSatellites ( )
inline

Definition at line 57 of file InversionStamp.hpp.

References satellites_.

Referenced by OpenMD::MoleculeStamp::checkInversions().

◆ getOverridePars()

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

Definition at line 92 of file InversionStamp.hpp.

References orPars_.

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

◆ getOverrideType()

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

Definition at line 88 of file InversionStamp.hpp.

References orType_.

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

◆ getSatelliteAt()

int OpenMD::InversionStamp::getSatelliteAt ( int  index)
inline

Definition at line 56 of file InversionStamp.hpp.

References satellites_.

◆ getSatellites()

std::vector<int> OpenMD::InversionStamp::getSatellites ( )
inline

◆ hasOverride()

bool OpenMD::InversionStamp::hasOverride ( )
inline

Definition at line 87 of file InversionStamp.hpp.

References hasOverride_.

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

◆ overrideType()

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

Definition at line 80 of file InversionStamp.hpp.

References hasOverride_, orPars_, orType_, and validate().

Referenced by MDTreeParser::inversionstatement().

◆ setCenter()

void OpenMD::InversionStamp::setCenter ( int  center)
inline

◆ setSatellites()

void OpenMD::InversionStamp::setSatellites ( const std::vector< int > &  sats)
inline

◆ validate()

void OpenMD::InversionStamp::validate ( )
virtual

Reimplemented from OpenMD::DataHolder.

Definition at line 55 of file InversionStamp.cpp.

References OpenMD::DataHolder::validate().

Referenced by overrideType().

Member Data Documentation

◆ center_

int OpenMD::InversionStamp::center_
private

Definition at line 98 of file InversionStamp.hpp.

Referenced by getCenter(), and setCenter().

◆ hasOverride_

bool OpenMD::InversionStamp::hasOverride_
private

Definition at line 100 of file InversionStamp.hpp.

Referenced by hasOverride(), and overrideType().

◆ orPars_

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

Definition at line 102 of file InversionStamp.hpp.

Referenced by getOverridePars(), and overrideType().

◆ orType_

std::string OpenMD::InversionStamp::orType_
private

Definition at line 101 of file InversionStamp.hpp.

Referenced by getOverrideType(), and overrideType().

◆ satellites_

std::vector<int> OpenMD::InversionStamp::satellites_
private

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