org.jmol.util
Class SimpleUnitCell
java.lang.Object
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
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
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
SimpleUnitCell
public SimpleUnitCell(float[] parameters)
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)