org.jmol.symmetry
Class UnitCell
java.lang.Object
org.jmol.util.SimpleUnitCell
org.jmol.symmetry.UnitCell
class UnitCell
- extends SimpleUnitCell
a class private to the org.jmol.symmetry package
to be accessed only through the SymmetryInterface API
adds vertices and offsets orientation,
and a variety of additional calculations that in
principle could be put in SimpleUnitCell
if desired, but for now are in this optional package.
Fields inherited from class org.jmol.util.SimpleUnitCell |
a, a_, alpha, b, b_, beta, c, c_, cA_, cB_, cosAlpha, cosBeta, cosGamma, dimension, gamma, matrixCartesianToFractional, matrixCtoFAbsolute, matrixFractionalToCartesian, matrixFtoCAbsolute, notionalUnitcell, sinAlpha, sinBeta, sinGamma, toRadians, volume |
Constructor Summary |
UnitCell(float[] notionalUnitcell)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
vertices
private javax.vecmath.Point3f[] vertices
cartesianOffset
private javax.vecmath.Point3f cartesianOffset
fractionalOffset
private javax.vecmath.Point3f fractionalOffset
allFractionalRelative
private boolean allFractionalRelative
twoP2
private static final double twoP2
- See Also:
- Constant Field Values
UnitCell
UnitCell(float[] notionalUnitcell)
setOrientation
void setOrientation(javax.vecmath.Matrix3f mat)
toUnitCell
final void toUnitCell(javax.vecmath.Point3f pt,
javax.vecmath.Point3f offset)
- when offset is null,
- Parameters:
pt
- offset
-
setAllFractionalRelative
void setAllFractionalRelative(boolean TF)
setOffset
void setOffset(javax.vecmath.Point3f pt)
setOffset
void setOffset(int nnn)
ijkToPoint3f
static javax.vecmath.Point3f ijkToPoint3f(int nnn)
setMinMaxLatticeParameters
void setMinMaxLatticeParameters(javax.vecmath.Point3i minXYZ,
javax.vecmath.Point3i maxXYZ)
dumpInfo
final java.lang.String dumpInfo(boolean isFull)
getVertices
javax.vecmath.Point3f[] getVertices()
getCartesianOffset
javax.vecmath.Point3f getCartesianOffset()
getFractionalOffset
javax.vecmath.Point3f getFractionalOffset()
getEllipsoid
java.lang.Object[] getEllipsoid(float[] parBorU)
getCanonicalCopy
javax.vecmath.Point3f[] getCanonicalCopy(float scale)
toFractional
private static float toFractional(float x)
calcUnitcellVertices
private void calcUnitcellVertices()