energy
Class FD_WriteGrid

java.lang.Object
  energy.FD_WriteGrid

public class FD_WriteGrid

extends java.lang.Object

Author:

mika To change the template for this generated type comment go to Window - Preferences - Java - Code Generation - Code and Comments

Field Summary

(package private) java.io.BufferedWriter	buf
(package private) java.lang.String	formatfloat
(package private) java.lang.String	formatint
(package private) int	GPX
(package private) int	GPY
(package private) int	GPZ
(package private) java.io.FileWriter	out
(package private) boolean	pbc
(package private) PrintfFormat	Pffloat
(package private) PrintfFormat	Pfint
(package private) java.io.PrintWriter	pw

Constructor Summary

FD_WriteGrid(int GPX, int GPY, int GPZ)

Method Summary

void	dumpgridtopdb(double[] grid, int X, int Y, int Z, java.lang.String file)
private int	index(int x, int y, int z) static final int index converts 3D to 1D array index.
void	set_pbc(boolean pbc)
void	writegrid(double[] grid, int X, int Y, int Z, java.lang.String file)

Methods inherited from class java.lang.Object

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

Field Detail

pbc

boolean pbc

out

java.io.FileWriter out

buf

java.io.BufferedWriter buf

pw

java.io.PrintWriter pw

formatint

final java.lang.String formatint

See Also:

Constant Field Values

formatfloat

final java.lang.String formatfloat

See Also:

Constant Field Values

Pfint

final PrintfFormat Pfint

Pffloat

final PrintfFormat Pffloat

GPX

final int GPX

GPY

final int GPY

GPZ

final int GPZ

Constructor Detail

FD_WriteGrid

public FD_WriteGrid(int GPX,
                    int GPY,
                    int GPZ)

Method Detail

set_pbc

public void set_pbc(boolean pbc)

dumpgridtopdb

public void dumpgridtopdb(double[] grid,
                          int X,
                          int Y,
                          int Z,
                          java.lang.String file)
                   throws java.io.IOException

Throws:

java.io.IOException

writegrid

public void writegrid(double[] grid,
                      int X,
                      int Y,
                      int Z,
                      java.lang.String file)
               throws java.io.IOException

Throws:

java.io.IOException

index

private int index(int x,
                  int y,
                  int z)

static final int index converts 3D to 1D array index.

Parameters:

x - index along x

y - index along y

z - index along z