class UnitCell extends SimpleUnitCell
Modifier and Type | Field and Description |
---|---|
private boolean |
allFractionalRelative |
private javax.vecmath.Point3f |
cartesianOffset |
private javax.vecmath.Point3f |
fractionalOffset |
private static double |
twoP2 |
private javax.vecmath.Point3f[] |
vertices |
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 and Description |
---|
UnitCell(float[] notionalUnitcell) |
Modifier and Type | Method and Description |
---|---|
private void |
calcUnitcellVertices() |
(package private) java.lang.String |
dumpInfo(boolean isFull) |
(package private) javax.vecmath.Point3f[] |
getCanonicalCopy(float scale) |
(package private) javax.vecmath.Point3f |
getCartesianOffset() |
(package private) java.lang.Object[] |
getEllipsoid(float[] parBorU) |
(package private) javax.vecmath.Point3f |
getFractionalOffset() |
(package private) javax.vecmath.Point3f[] |
getVertices() |
(package private) static javax.vecmath.Point3f |
ijkToPoint3f(int nnn) |
(package private) void |
setAllFractionalRelative(boolean TF) |
(package private) void |
setMinMaxLatticeParameters(javax.vecmath.Point3i minXYZ,
javax.vecmath.Point3i maxXYZ) |
(package private) void |
setOffset(int nnn) |
(package private) void |
setOffset(javax.vecmath.Point3f pt) |
(package private) void |
setOrientation(javax.vecmath.Matrix3f mat) |
private static float |
toFractional(float x) |
(package private) void |
toUnitCell(javax.vecmath.Point3f pt,
javax.vecmath.Point3f offset)
when offset is null,
|
getInfo, getNotionalUnitCell, getUnitCellAsArray, isPolymer, isSlab, isValid, toCartesian, toFractional
private javax.vecmath.Point3f[] vertices
private javax.vecmath.Point3f cartesianOffset
private javax.vecmath.Point3f fractionalOffset
private boolean allFractionalRelative
private static final double twoP2
void setOrientation(javax.vecmath.Matrix3f mat)
final void toUnitCell(javax.vecmath.Point3f pt, javax.vecmath.Point3f offset)
pt
- offset
- void setAllFractionalRelative(boolean TF)
void setOffset(javax.vecmath.Point3f pt)
void setOffset(int nnn)
static javax.vecmath.Point3f ijkToPoint3f(int nnn)
void setMinMaxLatticeParameters(javax.vecmath.Point3i minXYZ, javax.vecmath.Point3i maxXYZ)
final java.lang.String dumpInfo(boolean isFull)
javax.vecmath.Point3f[] getVertices()
javax.vecmath.Point3f getCartesianOffset()
javax.vecmath.Point3f getFractionalOffset()
java.lang.Object[] getEllipsoid(float[] parBorU)
javax.vecmath.Point3f[] getCanonicalCopy(float scale)
private static float toFractional(float x)
private void calcUnitcellVertices()