ParM  parm
A molecular dynamics library
Public Member Functions | Protected Attributes | List of all members
WalledBox2D Class Reference

#include <interaction.hpp>

Inheritance diagram for WalledBox2D:
OriginBox Box

Public Member Functions

 WalledBox2D (Vec size, bool xwalled, bool ywalled, flt expt=2.0)
 
Vec diff (Vec r1, Vec r2)
 Distance between two points, given boundary conditions. More...
 
Vec diff (Vec r1, Vec r2, array< int, NDIM > boxes)
 
flt V ()
 Volume. Can return NaN. More...
 
flt L ()
 
flt resize (flt factor)
 
flt resize_to_V (flt newV)
 
Vec rand_loc (flt walldist)
 
vector< SoftWall * > get_walls ()
 
 ~WalledBox2D ()
 
- Public Member Functions inherited from OriginBox
 OriginBox (Vec size)
 
virtual Vec diff (Vec r1, Vec r2, boost::array< int, NDIM > boxes)
 
virtual boost::array< int, NDIMbox_round (Vec r1, Vec r2)
 The div function to go with diff. More...
 
 OriginBox (flt L)
 
flt L ()
 
 OriginBox (flt L)
 
flt L ()
 
flt resize (flt factor)
 Resize by a factor. Does not move atoms. More...
 
flt resize (flt factor, AtomGroup &atoms)
 Resize by a factor, and move atoms in the affine direction. More...
 
flt resize_to (Vec newsize)
 Resize to a specific shape. Does not move atoms. More...
 
flt resize_to (Vec newsize, AtomGroup &atoms)
 Resize to a specific shape, and move atoms in the affine direction. More...
 
flt resize_to_V (flt newV)
 Resize to a specific volume. Does not move atoms. More...
 
flt resize_to_V (flt newV, AtomGroup &atoms)
 Resize to a specific volume, and move atoms in the affine direction. More...
 
flt resize_to_L (flt newL)
 Resize to a specific length. Does not move atoms. More...
 
flt resize_to_L (flt newL, AtomGroup &atoms)
 Resize to a specific length, and move atoms in the affine direction. More...
 
Vec rand_loc ()
 Get a random point in the box. More...
 
Vec box_shape ()
 
void pure_shear_to (flt epsilon)
 Apply a pure shear of epsilon to reshape box. More...
 
void pure_shear_to (flt epsilon, AtomGroup &atoms)
 Apply a pure shear of epsilon, moving atoms. More...
 
- Public Member Functions inherited from Box
virtual ~Box ()
 

Protected Attributes

bool xwalls
 
bool ywalls
 
vector< SoftWall * > walls
 
- Protected Attributes inherited from OriginBox
Vec boxsize
 

Constructor & Destructor Documentation

WalledBox2D::WalledBox2D ( Vec  size,
bool  xwalled,
bool  ywalled,
flt  expt = 2.0 
)
inline
WalledBox2D::~WalledBox2D ( )
inline

Member Function Documentation

Vec WalledBox2D::diff ( Vec  r1,
Vec  r2 
)
inlinevirtual

Distance between two points, given boundary conditions.

This is the main function that Box exists for.

Reimplemented from OriginBox.

Vec WalledBox2D::diff ( Vec  r1,
Vec  r2,
array< int, NDIM boxes 
)
inline
vector<SoftWall*> WalledBox2D::get_walls ( )
inline
flt WalledBox2D::L ( )
inline
Vec WalledBox2D::rand_loc ( flt  walldist)
inline
flt WalledBox2D::resize ( flt  factor)
inline
flt WalledBox2D::resize_to_V ( flt  newV)
inline
flt WalledBox2D::V ( )
inlinevirtual

Volume. Can return NaN.

Reimplemented from OriginBox.

Member Data Documentation

vector<SoftWall*> WalledBox2D::walls
protected
bool WalledBox2D::xwalls
protected
bool WalledBox2D::ywalls
protected

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