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

#include <SCDOrderParameter.hpp>

Public Member Functions

 SCDElem (SimInfo *info, const std::string &sele1, const std::string &sele2, const std::string &sele3)
 
std::string getSelection1 () const
 
std::string getSelection2 () const
 
std::string getSelection3 () const
 
RealType calcSCD (Snapshot *snapshot)
 

Private Types

typedef tuple3< StuntDouble *, StuntDouble *, StuntDouble * > SDTuple3
 

Private Attributes

std::string sele1_
 
std::string sele2_
 
std::string sele3_
 
bool usePeriodicBoundaryConditions_
 
std::vector< SDTuple3tuples_
 

Detailed Description

Definition at line 49 of file SCDOrderParameter.hpp.

Member Typedef Documentation

◆ SDTuple3

Definition at line 65 of file SCDOrderParameter.hpp.

Constructor & Destructor Documentation

◆ SCDElem()

Member Function Documentation

◆ calcSCD()

RealType OpenMD::SCDElem::calcSCD ( Snapshot snapshot)

◆ getSelection1()

std::string OpenMD::SCDElem::getSelection1 ( ) const
inline

Definition at line 53 of file SCDOrderParameter.hpp.

References sele1_.

◆ getSelection2()

std::string OpenMD::SCDElem::getSelection2 ( ) const
inline

Definition at line 54 of file SCDOrderParameter.hpp.

References sele2_.

◆ getSelection3()

std::string OpenMD::SCDElem::getSelection3 ( ) const
inline

Definition at line 55 of file SCDOrderParameter.hpp.

References calcSCD(), and sele3_.

Member Data Documentation

◆ sele1_

std::string OpenMD::SCDElem::sele1_
private

Definition at line 60 of file SCDOrderParameter.hpp.

Referenced by getSelection1(), and SCDElem().

◆ sele2_

std::string OpenMD::SCDElem::sele2_
private

Definition at line 61 of file SCDOrderParameter.hpp.

Referenced by getSelection2(), and SCDElem().

◆ sele3_

std::string OpenMD::SCDElem::sele3_
private

Definition at line 62 of file SCDOrderParameter.hpp.

Referenced by getSelection3(), and SCDElem().

◆ tuples_

std::vector<SDTuple3> OpenMD::SCDElem::tuples_
private

Definition at line 67 of file SCDOrderParameter.hpp.

Referenced by calcSCD(), and SCDElem().

◆ usePeriodicBoundaryConditions_

bool OpenMD::SCDElem::usePeriodicBoundaryConditions_
private

Definition at line 63 of file SCDOrderParameter.hpp.

Referenced by calcSCD(), and SCDElem().


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