OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::TorsionStamp Class Reference
+ Inheritance diagram for OpenMD::TorsionStamp:

Public Member Functions

int getMemberAt (int index)
 
size_t getNMembers ()
 
std::vector< int > getMembers ()
 
void setMembers (const std::vector< int > &members)
 
void setMembers (const std::tuple< int, int, int, int > &tuple)
 
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
template<class T >
void assign (const std::string &keyword, T val)
 

Additional Inherited Members

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

Detailed Description

Definition at line 55 of file TorsionStamp.hpp.

Constructor & Destructor Documentation

◆ TorsionStamp()

OpenMD::TorsionStamp::TorsionStamp ( )

Definition at line 52 of file TorsionStamp.cpp.

◆ ~TorsionStamp()

OpenMD::TorsionStamp::~TorsionStamp ( )
virtual

Definition at line 56 of file TorsionStamp.cpp.

Member Function Documentation

◆ getMemberAt()

int OpenMD::TorsionStamp::getMemberAt ( int index)
inline

Definition at line 62 of file TorsionStamp.hpp.

◆ getMembers()

std::vector< int > OpenMD::TorsionStamp::getMembers ( )
inline

Definition at line 64 of file TorsionStamp.hpp.

◆ getNMembers()

size_t OpenMD::TorsionStamp::getNMembers ( )
inline

Definition at line 63 of file TorsionStamp.hpp.

◆ getOverridePars()

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

Definition at line 94 of file TorsionStamp.hpp.

◆ getOverrideType()

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

Definition at line 93 of file TorsionStamp.hpp.

◆ hasOverride()

bool OpenMD::TorsionStamp::hasOverride ( )
inline

Definition at line 92 of file TorsionStamp.hpp.

◆ overrideType()

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

Definition at line 85 of file TorsionStamp.hpp.

◆ setMembers() [1/2]

void OpenMD::TorsionStamp::setMembers ( const std::tuple< int, int, int, int > & tuple)
inline

Definition at line 76 of file TorsionStamp.hpp.

◆ setMembers() [2/2]

void OpenMD::TorsionStamp::setMembers ( const std::vector< int > & members)
inline

Definition at line 66 of file TorsionStamp.hpp.

◆ validate()

void OpenMD::TorsionStamp::validate ( )
virtual

Reimplemented from OpenMD::DataHolder.

Definition at line 58 of file TorsionStamp.cpp.


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