class UnitCell extends SimpleUnitCell
Modifier and Type | Field and Description |
---|---|
private boolean |
allFractionalRelative |
private P3 |
cartesianOffset |
private P3 |
fractionalOffset |
private static double |
twoP2 |
private P3 |
unitCellMultiplier |
private static V3[] |
unitVectors |
private P3[] |
vertices |
a, a_, alpha, b, b_, beta, c, c_, cA_, cB_, cosAlpha, cosBeta, cosGamma, dimension, gamma, INFO_A, INFO_ALPHA, INFO_B, INFO_BETA, INFO_C, INFO_DIMENSIONS, INFO_GAMMA, matrixCartesianToFractional, matrixCtoFAbsolute, matrixFractionalToCartesian, matrixFtoCAbsolute, notionalUnitcell, sinAlpha, sinBeta, sinGamma, toRadians, volume
Constructor and Description |
---|
UnitCell() |
Modifier and Type | Method and Description |
---|---|
private void |
calcUnitcellVertices() |
boolean |
checkDistance(P3 f1,
P3 f2,
float distance,
float dx,
int iRange,
int jRange,
int kRange,
P3 ptOffset) |
(package private) java.lang.String |
dumpInfo(boolean isFull) |
(package private) P3[] |
getCanonicalCopy(float scale) |
(package private) P3 |
getCartesianOffset() |
(package private) P3 |
getFractionalOffset() |
(package private) Tensor |
getTensor(float[] parBorU) |
P3 |
getUnitCellMultiplier() |
P3[] |
getUnitCellVectors() |
(package private) P3[] |
getVertices() |
static UnitCell |
newA(float[] notionalUnitcell) |
(package private) static UnitCell |
newP(Tuple3f[] points) |
(package private) void |
setAllFractionalRelative(boolean TF) |
void |
setCartesianOffset(Tuple3f origin) |
(package private) void |
setMinMaxLatticeParameters(P3i minXYZ,
P3i maxXYZ) |
(package private) void |
setOffset(P3 pt) |
(package private) void |
setOrientation(Matrix3f mat) |
private static float |
toFractionalX(float x) |
(package private) void |
toUnitCell(P3 pt,
P3 offset)
when offset is null,
|
getInfo, getNotionalUnitCell, getUnitCellAsArray, ijkToPoint3f, isPolymer, isSlab, isSupercell, isValid, set, toCartesian, toFractional, toSupercell
private P3[] vertices
private P3 cartesianOffset
private P3 fractionalOffset
private boolean allFractionalRelative
private P3 unitCellMultiplier
private static final double twoP2
private static final V3[] unitVectors
public static UnitCell newA(float[] notionalUnitcell)
void setOrientation(Matrix3f mat)
void setAllFractionalRelative(boolean TF)
void setOffset(P3 pt)
public void setCartesianOffset(Tuple3f origin)
final java.lang.String dumpInfo(boolean isFull)
P3[] getVertices()
P3 getCartesianOffset()
P3 getFractionalOffset()
Tensor getTensor(float[] parBorU)
P3[] getCanonicalCopy(float scale)
private static float toFractionalX(float x)
private void calcUnitcellVertices()
public boolean checkDistance(P3 f1, P3 f2, float distance, float dx, int iRange, int jRange, int kRange, P3 ptOffset)
f1
- f2
- distance
- dx
- iRange
- jRange
- kRange
- ptOffset
- TODOpublic P3 getUnitCellMultiplier()
public P3[] getUnitCellVectors()