org.jmol.symmetry
Class UnitCell
java.lang.Object
org.jmol.symmetry.UnitCell
class UnitCell
- extends java.lang.Object
Constructor Summary |
UnitCell(float[] notionalUnitcell)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
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
UnitCell
UnitCell(float[] notionalUnitcell)
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()