org.jmol.symmetry
Class UnitCell

java.lang.Object
  extended by org.jmol.symmetry.UnitCell

 class UnitCell
extends java.lang.Object


Nested Class Summary
private  class UnitCell.Data
           
 
Field Summary
(package private)  float a
           
(package private)  float alpha
           
(package private)  float b
           
(package private)  float beta
           
(package private)  float c
           
private  javax.vecmath.Point3f cartesianOffset
           
private  UnitCell.Data data
           
private  javax.vecmath.Point3f fractionalOffset
           
(package private)  float gamma
           
(package private)  boolean isPrimitive
           
private  javax.vecmath.Matrix4f matrixCartesianToFractional
           
private  javax.vecmath.Matrix4f matrixFractionalToCartesian
           
(package private)  float[] notionalUnitcell
           
(package private) static float toRadians
           
(package private) static javax.vecmath.Point3f[] unitCubePoints
           
private  javax.vecmath.Point3f[] vertices
           
 
Constructor Summary
UnitCell(float[] notionalUnitcell)
           
 
Method Summary
private  void calcUnitcellVertices()
           
private  void constructFractionalMatrices()
           
(package private)  java.lang.String dumpInfo(boolean isFull)
           
(package private)  javax.vecmath.Point3f getCartesianOffset()
           
(package private)  java.lang.Object[] getEllipsoid(float[] parBorU)
           
(package private)  javax.vecmath.Point3f getFractionalOffset()
           
(package private)  float getInfo(int infoType)
           
(package private)  float[] getNotionalUnitCell()
           
(package private)  javax.vecmath.Point3f[] getVertices()
           
(package private) static javax.vecmath.Point3f ijkToPoint3f(int nnn)
           
(package private)  void setOffset(int nnn)
           
(package private)  void setOffset(javax.vecmath.Point3f pt)
           
private  void setUnitCell(float[] notionalUnitcell)
           
(package private)  void toCartesian(javax.vecmath.Point3f pt)
           
private static float toFractional(float x)
           
(package private)  void toFractional(javax.vecmath.Point3f pt)
           
private  void toFractionalUnitCell(javax.vecmath.Point3f pt)
           
(package private)  void toUnitCell(javax.vecmath.Point3f pt, javax.vecmath.Point3f offset)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

toRadians

static final float toRadians
See Also:
Constant Field Values

unitCubePoints

static final javax.vecmath.Point3f[] unitCubePoints

a

float a

b

float b

c

float c

alpha

float alpha

beta

float beta

gamma

float gamma

isPrimitive

boolean isPrimitive

notionalUnitcell

float[] notionalUnitcell

matrixCartesianToFractional

private javax.vecmath.Matrix4f matrixCartesianToFractional

matrixFractionalToCartesian

private javax.vecmath.Matrix4f matrixFractionalToCartesian

vertices

private javax.vecmath.Point3f[] vertices

cartesianOffset

private javax.vecmath.Point3f cartesianOffset

fractionalOffset

private javax.vecmath.Point3f fractionalOffset

data

private UnitCell.Data data
Constructor Detail

UnitCell

UnitCell(float[] notionalUnitcell)
Method Detail

toCartesian

final void toCartesian(javax.vecmath.Point3f pt)

toFractional

final void toFractional(javax.vecmath.Point3f pt)

toFractionalUnitCell

private final void toFractionalUnitCell(javax.vecmath.Point3f pt)

toFractional

private static float toFractional(float x)

toUnitCell

final void toUnitCell(javax.vecmath.Point3f pt,
                      javax.vecmath.Point3f offset)

setOffset

void setOffset(javax.vecmath.Point3f pt)

setOffset

void setOffset(int nnn)

ijkToPoint3f

static javax.vecmath.Point3f ijkToPoint3f(int nnn)

dumpInfo

final java.lang.String dumpInfo(boolean isFull)

getVertices

javax.vecmath.Point3f[] getVertices()

getCartesianOffset

javax.vecmath.Point3f getCartesianOffset()

getFractionalOffset

javax.vecmath.Point3f getFractionalOffset()

getNotionalUnitCell

float[] getNotionalUnitCell()

getInfo

float getInfo(int infoType)

setUnitCell

private void setUnitCell(float[] notionalUnitcell)

getEllipsoid

java.lang.Object[] getEllipsoid(float[] parBorU)

constructFractionalMatrices

private void constructFractionalMatrices()

calcUnitcellVertices

private void calcUnitcellVertices()