OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::shapedLattice Class Referenceabstract

#include <shapedLattice.hpp>

Inheritance diagram for OpenMD::shapedLattice:
OpenMD::shapedLatticeEllipsoid OpenMD::shapedLatticePentRod OpenMD::shapedLatticeRod OpenMD::shapedLatticeSpherical

Public Member Functions

 shapedLattice (RealType latticeConstant, std::string latticeType)
 
virtual ~shapedLattice ()
 
void setGridDimension (Vector3d dimension)
 
void setOrigin (Vector3d origin)
 
virtual bool isInterior (Vector3d point)=0
 
std::vector< Vector3dgetSites ()
 
std::vector< Vector3dgetOrientations ()
 

Protected Member Functions

void findSites ()
 

Protected Attributes

Vector3d dimension_
 
Vector3d origin_
 

Private Attributes

bool sitesComputed_
 
std::vector< Vector3dsites_
 
std::vector< Vector3dorientations_
 
LatticesimpleLattice_
 
RealType latticeConstant_
 
std::string latticeType_
 
int beginNx_
 
int beginNy_
 
int beginNz_
 
int endNx_
 
int endNy_
 
int endNz_
 

Detailed Description

Returns a vector of vector3 position on a lattice truncated

Definition at line 65 of file shapedLattice.hpp.

Constructor & Destructor Documentation

◆ shapedLattice()

OpenMD::shapedLattice::shapedLattice ( RealType  latticeConstant,
std::string  latticeType 
)

◆ ~shapedLattice()

virtual OpenMD::shapedLattice::~shapedLattice ( )
inlinevirtual

Member Function Documentation

◆ findSites()

◆ getOrientations()

std::vector< Vector3d > OpenMD::shapedLattice::getOrientations ( )

Definition at line 128 of file shapedLattice.cpp.

References findSites(), orientations_, and sitesComputed_.

Referenced by main(), and ~shapedLattice().

◆ getSites()

std::vector< Vector3d > OpenMD::shapedLattice::getSites ( )

Definition at line 121 of file shapedLattice.cpp.

References findSites(), sites_, and sitesComputed_.

Referenced by main(), and ~shapedLattice().

◆ isInterior()

virtual bool OpenMD::shapedLattice::isInterior ( Vector3d  point)
pure virtual

◆ setGridDimension()

◆ setOrigin()

Member Data Documentation

◆ beginNx_

int OpenMD::shapedLattice::beginNx_
private

Definition at line 89 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ beginNy_

int OpenMD::shapedLattice::beginNy_
private

Definition at line 90 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ beginNz_

int OpenMD::shapedLattice::beginNz_
private

Definition at line 91 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ dimension_

Vector3d OpenMD::shapedLattice::dimension_
protected

Definition at line 80 of file shapedLattice.hpp.

Referenced by setGridDimension().

◆ endNx_

int OpenMD::shapedLattice::endNx_
private

Definition at line 92 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ endNy_

int OpenMD::shapedLattice::endNy_
private

Definition at line 93 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ endNz_

int OpenMD::shapedLattice::endNz_
private

Definition at line 94 of file shapedLattice.hpp.

Referenced by findSites(), and setGridDimension().

◆ latticeConstant_

RealType OpenMD::shapedLattice::latticeConstant_
private

Definition at line 87 of file shapedLattice.hpp.

Referenced by setGridDimension(), and shapedLattice().

◆ latticeType_

std::string OpenMD::shapedLattice::latticeType_
private

Definition at line 88 of file shapedLattice.hpp.

◆ orientations_

std::vector<Vector3d> OpenMD::shapedLattice::orientations_
private

Definition at line 85 of file shapedLattice.hpp.

Referenced by findSites(), and getOrientations().

◆ origin_

Vector3d OpenMD::shapedLattice::origin_
protected

Definition at line 81 of file shapedLattice.hpp.

Referenced by setOrigin().

◆ simpleLattice_

Lattice* OpenMD::shapedLattice::simpleLattice_
private

Definition at line 86 of file shapedLattice.hpp.

Referenced by findSites(), setOrigin(), and shapedLattice().

◆ sites_

std::vector<Vector3d> OpenMD::shapedLattice::sites_
private

Definition at line 84 of file shapedLattice.hpp.

Referenced by findSites(), and getSites().

◆ sitesComputed_

bool OpenMD::shapedLattice::sitesComputed_
private

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