meshi.geometry
Class Grid

java.lang.Object
  meshi.geometry.Grid

public class Grid
extends java.lang.Object

Field Summary

(package private) MolecularSystem	atoms
(package private) int	cellCapacity
(package private) GridCell[][][]	cells
(package private) GridCell	defaultCell
double	edge
private boolean	failToBuild
private long	MAX_GRID_SIZE
double	maxX
double	maxY
double	maxZ
private int	minSphereRadiusToEdge
double	minX
double	minY
double	minZ
(package private) java.util.ArrayList<AtomCore>	movingAtoms
(package private) double[][]	prevCoor
private double	SPHERE_COND
(package private) int	xSize
(package private) int	xSizeNew
(package private) int	ySize
(package private) int	ySizeNew
(package private) int	zSize
(package private) int	zSizeNew

Constructor Summary

Grid(double edge, double minSphereRadius)

Grid(MolecularSystem atoms, double edge, double minSphereRadius)

Method Summary

boolean	build() Builds the grid.
boolean	failToBuild()
GridCell	getCell(AtomCore atom)
static int	round(double d)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

edge

public final double edge

minSphereRadiusToEdge

private final int minSphereRadiusToEdge

MAX_GRID_SIZE

private final long MAX_GRID_SIZE

See Also:

Constant Field Values

SPHERE_COND

private final double SPHERE_COND

See Also:

Constant Field Values

xSize

int xSize

ySize

int ySize

zSize

int zSize

xSizeNew

int xSizeNew

ySizeNew

int ySizeNew

zSizeNew

int zSizeNew

minX

public double minX

minY

public double minY

minZ

public double minZ

maxX

public double maxX

maxY

public double maxY

maxZ

public double maxZ

atoms

MolecularSystem atoms

cells

GridCell[][][] cells

defaultCell

GridCell defaultCell

prevCoor

double[][] prevCoor

movingAtoms

java.util.ArrayList<AtomCore> movingAtoms

cellCapacity

int cellCapacity

failToBuild

private boolean failToBuild

Constructor Detail

Grid

public Grid(double edge,
            double minSphereRadius)

Grid

public Grid(MolecularSystem atoms,
            double edge,
            double minSphereRadius)
     throws UpdateableException

Throws:

UpdateableException

Method Detail

build

public boolean build()
              throws UpdateableException

Builds the grid. Return false upon failure (say, if the atoms are too spread around in a space that is too large to be devided into cells without a memory failure.

Throws:

UpdateableException

getCell

public GridCell getCell(AtomCore atom)

round

public static int round(double d)

failToBuild

public boolean failToBuild()