glotz_vec glotzopt::CellList::mNcellPow210 [protected] |
A factor for finding CellContaining an object based on xPosition.
Has three components: ![$ncell[0]^2, ncell[1]^1, ncell[2]^0$](form_0.png)
. These are muliplied by xPosition of an object to determine it's cell number.
#include <CellList.h>
Public Types | |
| enum | { FULL = 0, HALF = 1 } |
| List of modes for SetNeighborStyle. More... | |
Public Member Functions | |
| CellList () | |
| Constructor. | |
| virtual | ~CellList () |
| Destructor. | |
| int | GetSequencer () const |
| Returns the id of the cell list. | |
| int | GetNumberOfCells () const |
| Returns number of Cells in the CellList. | |
| int | GetCellContaining (glotz_vec &) const |
| Returns the cell containing a position in the box. | |
| int | GetCellContaining (ObjectInCellList &) const |
| Returns the cell containing an object. | |
| int | GetCellContaining (ObjectInCellList *) const |
| Returns the cell containing an object. | |
| const glotz_vec & | GetBoxDimension () const |
| Returns the size of the box. | |
| Cell * | GetCell (int) const |
| Returns cell at index i. | |
| Cell * | operator[] (int) const |
| Indexing operator; returns cell [i]. | |
| void | SetIsPeriodic (bool, bool, bool) |
| Sets the boundary conditions to periodic or hard. | |
| void | SetIsPeriodic (bool) |
| Sets the boundary conditions to periodic or hard. | |
| void | SetBoundary (glotz_vec &) |
| Sets the physical boundary of the cell list (i.e., the box size). | |
| void | SetMinimumCellSize (glotz_flt) |
| Sets the smallest possible cell dimension. | |
| void | SetInteractionRange (glotz_flt) |
| Sets the range of the interaction potential. | |
| void | SetNeighborStyle (int) |
| Sets the neighbor style, or the way the cell neighbor list is built. | |
| void | Clear () |
| Clears the contents of all the cells, their memory space, and the list of cells. | |
| virtual void | ClearContents () |
| Clears the contents of all the cells. | |
| void | PlaceInCorrectCell (ObjectInCellList &) |
| If object has changed position, removes it from old cell, places it in new cell. | |
| void | PlaceInCorrectCell (ObjectInCellList *) |
| If object has changed position, removes it from old cell, places it in new cell. | |
| void | Insert (ObjectInCellList &) |
| Inserts an object into the cell list. | |
| void | Remove (ObjectInCellList &) |
| Removes an object from the cell list. | |
| virtual void | Insert (ObjectInCellList *) |
| Inserts an object into the cell list. | |
| virtual void | Remove (ObjectInCellList *) |
| Removes an object from the cell list. | |
| virtual void | Print (std::ostream &) |
| Prints the contents of the cell list to a stream. | |
| void | PrintVisual (std::ostream &) |
| Print a visual representation of the cell list structure. | |
| bool | Good () const |
| Indicates whether the cell list is valid. | |
| bool | Fail () const |
| Indicates whether the cell list is invalid. | |
| void | GetNeighborsOf (ObjectInCellList *, std::vector< ObjectInCellList * > &) const |
| Special function to get the neighbors of an object. | |
Public Attributes | |
| std::vector< Cell * > | xCell |
| List of all cells in the cell list. | |
Protected Member Functions | |
| virtual void | Rebuild () |
| Builds the cell list. | |
| virtual void | DivideBoxIntoCells () |
| Divides the box into cells. | |
Protected Attributes | |
| glotz_flt | mInteractionRange |
| The range of the interaction potential. | |
| glotz_flt | mMinimumCellSize |
| The smallest possible cell dimension (usually mInteractionRange). | |
| glotz_vec | mCellDimension |
| Size of cell in x,y,z. | |
| glotz_vec | mInverseCellDimension |
| 1/over mCellDimension | |
| glotz_vec | mBoxDimension |
| Size of Box in x,y,z. | |
| glotz_vec | mHalfBox |
| 0.5*mBoxDimension | |
| glotz_vec | mNcellPerDimension |
| Number of cells in x,y,z. | |
| bool | mIsPeriodic [3] |
| True if box is periodic in dimension [i]. | |
| int | mNeighborStyle |
| An integer indicating how to build cell neighbor list. | |
| std::map< int, int > | mCellOf |
| The cell containing an object. | |
| int | mSequencer |
| For keeping track of which cell list this is. | |
| bool | mForceRebuild |
| If true, then rebuild the list no matter what next time Rebuild is called. | |
| bool | mIsGood |
| <Indicates whether the cell list is valid | |
| glotz_vec | mNcellPow210 |
| A factor for finding CellContaining an object based on xPosition. | |
Pretty much the best cell list ever..... i think....
| anonymous enum |
List of modes for SetNeighborStyle.
For an MD-style cell list where interactions are pairwise, HALF is typically used, since we only need half of the cell neighbors to compute the total force. For an MC-style cell list, FULL is typically used, since we often need to look at an individual particle and compute the force over paritcles in all neighboring cells.
| glotzopt::CellList::CellList | ( | ) |
Constructor.
| glotzopt::CellList::~CellList | ( | ) | [virtual] |
Destructor.
Clears all of the cells.
| int glotzopt::CellList::GetSequencer | ( | ) | const |
Returns the id of the cell list.
| int glotzopt::CellList::GetNumberOfCells | ( | ) | const |
| int glotzopt::CellList::GetCellContaining | ( | glotz_vec & | position | ) | const |
Returns the cell containing a position in the box.
| int glotzopt::CellList::GetCellContaining | ( | ObjectInCellList & | object | ) | const |
Returns the cell containing an object.
| object | is an object in the cell list |
| int glotzopt::CellList::GetCellContaining | ( | ObjectInCellList * | object | ) | const |
Returns the cell containing an object.
| object | is an object in the cell list |
| const glotz_vec & glotzopt::CellList::GetBoxDimension | ( | ) | const |
Returns the size of the box.
| Cell * glotzopt::CellList::GetCell | ( | int | i | ) | const |
Returns cell at index i.
Returns a reference to a cell in the list.
| i | is the number of the referenced cell |
| Cell * glotzopt::CellList::operator[] | ( | int | i | ) | const |
Indexing operator; returns cell [i].
Returns a reference to a cell in the list.
| i | is the number of the referenced cell |
| void glotzopt::CellList::SetIsPeriodic | ( | bool | x, | |
| bool | y, | |||
| bool | z | |||
| ) |
Sets the boundary conditions to periodic or hard.
| x | is a bool representing whether or not the boundary is periodic in x | |
| y | is a bool representing whether or not the boundary is periodic in y | |
| z | is a bool representing whether or not the boundary is periodic in z |
| void glotzopt::CellList::SetIsPeriodic | ( | bool | val | ) |
Sets the boundary conditions to periodic or hard.
| val | is a bool representing whether or not the boundary is periodic |
| void glotzopt::CellList::SetBoundary | ( | glotz_vec & | box | ) |
Sets the physical boundary of the cell list (i.e., the box size).
| box | is the size of the boundary in x,y,z |
| void glotzopt::CellList::SetMinimumCellSize | ( | glotz_flt | size | ) |
Sets the smallest possible cell dimension.
If the minimum cell size is not set, the default value is the interaction range.
| size | is the minimum cell size |
| void glotzopt::CellList::SetInteractionRange | ( | glotz_flt | range | ) |
Sets the range of the interaction potential.
The interaction range determines which cells are neighbors. Normally, the cell size is slightly larger than the interaction range such that each cell has 26 neighbors. However, we can make the cells smaller and loop over more cell neighbors to more closely approximate a spherical interaction range and avoid calculating interactions between non-interacting particles.
| range | is the interaction range |
| void glotzopt::CellList::SetNeighborStyle | ( | int | style | ) |
Sets the neighbor style, or the way the cell neighbor list is built.
| style | is an int representing a given neighbor style |
| void glotzopt::CellList::Clear | ( | ) |
Clears the contents of all the cells, their memory space, and the list of cells.
| void glotzopt::CellList::ClearContents | ( | ) | [virtual] |
Clears the contents of all the cells.
| void glotzopt::CellList::PlaceInCorrectCell | ( | ObjectInCellList & | object | ) |
If object has changed position, removes it from old cell, places it in new cell.
| object | is an object in the cell list |
| void glotzopt::CellList::PlaceInCorrectCell | ( | ObjectInCellList * | object | ) |
If object has changed position, removes it from old cell, places it in new cell.
| object | is an object in the cell list |
| void glotzopt::CellList::Insert | ( | ObjectInCellList & | object | ) |
Inserts an object into the cell list.
| oject | is object to be inserted |
| void glotzopt::CellList::Remove | ( | ObjectInCellList & | object | ) |
Removes an object from the cell list.
| oject | is object to be removed |
| void glotzopt::CellList::Insert | ( | ObjectInCellList * | object | ) | [virtual] |
Inserts an object into the cell list.
| oject | is object to be inserted |
| void glotzopt::CellList::Remove | ( | ObjectInCellList * | object | ) | [virtual] |
Removes an object from the cell list.
| oject | is object to be removed |
| void glotzopt::CellList::Print | ( | std::ostream & | os | ) | [virtual] |
Prints the contents of the cell list to a stream.
| os | is the stream to be printed to This function is used primarily for debugging. |
| void glotzopt::CellList::PrintVisual | ( | std::ostream & | ) |
Print a visual representation of the cell list structure.
| bool glotzopt::CellList::Good | ( | ) | const |
Indicates whether the cell list is valid.
| bool glotzopt::CellList::Fail | ( | ) | const |
Indicates whether the cell list is invalid.
| void glotzopt::CellList::GetNeighborsOf | ( | ObjectInCellList * | obj, | |
| std::vector< ObjectInCellList * > & | neighbor | |||
| ) | const |
Special function to get the neighbors of an object.
| obj | is the object whos neighbors to get | |
| neighbors | is a list of neigboring objects |
| void glotzopt::CellList::Rebuild | ( | ) | [protected, virtual] |
Builds the cell list.
This function is called whenever the physical boundaries, cutoffs, etc. are changed.
| void glotzopt::CellList::DivideBoxIntoCells | ( | ) | [protected, virtual] |
Divides the box into cells.
This routine physically divides the box into cells and determines the neighbors of each cell.
| std::vector<Cell*> glotzopt::CellList::xCell |
List of all cells in the cell list.
glotz_flt glotzopt::CellList::mInteractionRange [protected] |
The range of the interaction potential.
glotz_flt glotzopt::CellList::mMinimumCellSize [protected] |
The smallest possible cell dimension (usually mInteractionRange).
glotz_vec glotzopt::CellList::mCellDimension [protected] |
Size of cell in x,y,z.
glotz_vec glotzopt::CellList::mInverseCellDimension [protected] |
1/over mCellDimension
glotz_vec glotzopt::CellList::mBoxDimension [protected] |
Size of Box in x,y,z.
glotz_vec glotzopt::CellList::mHalfBox [protected] |
0.5*mBoxDimension
glotz_vec glotzopt::CellList::mNcellPerDimension [protected] |
Number of cells in x,y,z.
bool glotzopt::CellList::mIsPeriodic[3] [protected] |
True if box is periodic in dimension [i].
int glotzopt::CellList::mNeighborStyle [protected] |
An integer indicating how to build cell neighbor list.
std::map<int, int> glotzopt::CellList::mCellOf [protected] |
The cell containing an object.
int glotzopt::CellList::mSequencer [protected] |
For keeping track of which cell list this is.
bool glotzopt::CellList::mForceRebuild [protected] |
If true, then rebuild the list no matter what next time Rebuild is called.
bool glotzopt::CellList::mIsGood [protected] |
<Indicates whether the cell list is valid
glotz_vec glotzopt::CellList::mNcellPow210 [protected] |
A factor for finding CellContaining an object based on xPosition.
Has three components: . These are muliplied by xPosition of an object to determine it's cell number.
1.5.3