org.jmol.util
Class SimpleUnitCell

java.lang.Object
  extended by org.jmol.util.SimpleUnitCell
Direct Known Subclasses:
UnitCell

public class SimpleUnitCell
extends java.lang.Object

general-purpose simple unit cell for calculations and as a super-class of unitcell, which is only part of Symmetry allows one-dimensional (polymer) and two-dimensional (slab) periodicity


Field Summary
protected  float a
           
protected  double a_
           
protected  float alpha
           
protected  float b
           
protected  double b_
           
protected  float beta
           
protected  float c
           
protected  double c_
           
protected  double cA_
           
protected  double cB_
           
protected  double cosAlpha
           
protected  double cosBeta
           
protected  double cosGamma
           
protected  int dimension
           
protected  float gamma
           
static int INFO_A
           
static int INFO_ALPHA
           
static int INFO_B
           
static int INFO_BETA
           
static int INFO_C
           
static int INFO_DIMENSIONS
           
static int INFO_GAMMA
           
protected  javax.vecmath.Matrix4f matrixCartesianToFractional
           
protected  javax.vecmath.Matrix4f matrixCtoFAbsolute
           
 javax.vecmath.Matrix4f matrixFractionalToCartesian
           
protected  javax.vecmath.Matrix4f matrixFtoCAbsolute
           
protected  float[] notionalUnitcell
           
protected  double sinAlpha
           
protected  double sinBeta
           
protected  double sinGamma
           
protected static float toRadians
           
protected  double volume
           
 
Constructor Summary
SimpleUnitCell(float[] parameters)
           
 
Method Summary
 float getInfo(int infoType)
           
 float[] getNotionalUnitCell()
           
 float[] getUnitCellAsArray(boolean vectorsOnly)
           
static javax.vecmath.Point3f ijkToPoint3f(int nnn)
           
static void ijkToPoint3f(int nnn, javax.vecmath.Point3f cell, int c)
           
 boolean isPolymer()
           
 boolean isSlab()
           
static boolean isValid(float[] parameters)
           
 void toCartesian(javax.vecmath.Point3f pt, boolean isAbsolute)
           
 void toFractional(javax.vecmath.Point3f pt, boolean isAbsolute)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

notionalUnitcell

protected float[] notionalUnitcell

matrixCartesianToFractional

protected javax.vecmath.Matrix4f matrixCartesianToFractional

matrixFractionalToCartesian

public javax.vecmath.Matrix4f matrixFractionalToCartesian

toRadians

protected static final float toRadians
See Also:
Constant Field Values

a

protected float a

b

protected float b

c

protected float c

alpha

protected float alpha

beta

protected float beta

gamma

protected float gamma

cosAlpha

protected double cosAlpha

sinAlpha

protected double sinAlpha

cosBeta

protected double cosBeta

sinBeta

protected double sinBeta

cosGamma

protected double cosGamma

sinGamma

protected double sinGamma

volume

protected double volume

cA_

protected double cA_

cB_

protected double cB_

a_

protected double a_

b_

protected double b_

c_

protected double c_

dimension

protected int dimension

matrixCtoFAbsolute

protected javax.vecmath.Matrix4f matrixCtoFAbsolute

matrixFtoCAbsolute

protected javax.vecmath.Matrix4f matrixFtoCAbsolute

INFO_DIMENSIONS

public static final int INFO_DIMENSIONS
See Also:
Constant Field Values

INFO_GAMMA

public static final int INFO_GAMMA
See Also:
Constant Field Values

INFO_BETA

public static final int INFO_BETA
See Also:
Constant Field Values

INFO_ALPHA

public static final int INFO_ALPHA
See Also:
Constant Field Values

INFO_C

public static final int INFO_C
See Also:
Constant Field Values

INFO_B

public static final int INFO_B
See Also:
Constant Field Values

INFO_A

public static final int INFO_A
See Also:
Constant Field Values
Constructor Detail

SimpleUnitCell

public SimpleUnitCell(float[] parameters)
Method Detail

isValid

public static boolean isValid(float[] parameters)

toCartesian

public final void toCartesian(javax.vecmath.Point3f pt,
                              boolean isAbsolute)

toFractional

public final void toFractional(javax.vecmath.Point3f pt,
                               boolean isAbsolute)

isPolymer

public boolean isPolymer()

isSlab

public boolean isSlab()

getNotionalUnitCell

public final float[] getNotionalUnitCell()

getUnitCellAsArray

public final float[] getUnitCellAsArray(boolean vectorsOnly)

getInfo

public final float getInfo(int infoType)

ijkToPoint3f

public static javax.vecmath.Point3f ijkToPoint3f(int nnn)

ijkToPoint3f

public static void ijkToPoint3f(int nnn,
                                javax.vecmath.Point3f cell,
                                int c)