class UnitCell extends SimpleUnitCell
Modifier and Type | Field and Description |
---|---|
private boolean |
allFractionalRelative |
private javajs.util.P3 |
cartesianOffset |
private javajs.util.P3 |
fractionalOffset |
private static double |
twoP2 |
private javajs.util.P3 |
unitCellMultiplier |
private static javajs.util.V3[] |
unitVectors |
private javajs.util.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(javajs.util.P3 f1,
javajs.util.P3 f2,
float distance,
float dx,
int iRange,
int jRange,
int kRange,
javajs.util.P3 ptOffset) |
(package private) java.lang.String |
dumpInfo(boolean isFull) |
(package private) javajs.util.P3[] |
getCanonicalCopy(float scale,
boolean withOffset) |
(package private) javajs.util.P3 |
getCartesianOffset() |
(package private) javajs.util.P3 |
getFractionalOffset() |
java.lang.String |
getState() |
(package private) Tensor |
getTensor(float[] parBorU) |
javajs.util.P3 |
getUnitCellMultiplier() |
javajs.util.V3[] |
getUnitCellVectors() |
(package private) javajs.util.P3[] |
getVertices() |
boolean |
isSameAs(UnitCell uc) |
static UnitCell |
newA(float[] notionalUnitcell) |
(package private) static UnitCell |
newP(javajs.util.T3[] points,
boolean setRelative) |
(package private) void |
setAllFractionalRelative(boolean TF) |
void |
setCartesianOffset(javajs.util.T3 origin) |
(package private) void |
setMinMaxLatticeParameters(javajs.util.P3i minXYZ,
javajs.util.P3i maxXYZ) |
(package private) void |
setOffset(javajs.util.P3 pt) |
(package private) void |
setOrientation(javajs.util.M3 mat) |
private static float |
toFractionalX(float x) |
(package private) void |
toUnitCell(javajs.util.P3 pt,
javajs.util.P3 offset)
when offset is null,
|
void |
unitize(javajs.util.P3 pt) |
getInfo, getNotionalUnitCell, getUnitCellAsArray, ijkToPoint3f, isPolymer, isSlab, isSupercell, isValid, set, toCartesian, toFractional, toSupercell
private javajs.util.P3[] vertices
private final javajs.util.P3 cartesianOffset
private javajs.util.P3 fractionalOffset
private boolean allFractionalRelative
private javajs.util.P3 unitCellMultiplier
private static final double twoP2
private static final javajs.util.V3[] unitVectors
static UnitCell newP(javajs.util.T3[] points, boolean setRelative)
public static UnitCell newA(float[] notionalUnitcell)
void setOrientation(javajs.util.M3 mat)
final void toUnitCell(javajs.util.P3 pt, javajs.util.P3 offset)
pt
- offset
- public void unitize(javajs.util.P3 pt)
void setAllFractionalRelative(boolean TF)
void setOffset(javajs.util.P3 pt)
public void setCartesianOffset(javajs.util.T3 origin)
void setMinMaxLatticeParameters(javajs.util.P3i minXYZ, javajs.util.P3i maxXYZ)
final java.lang.String dumpInfo(boolean isFull)
javajs.util.P3[] getVertices()
javajs.util.P3 getCartesianOffset()
javajs.util.P3 getFractionalOffset()
Tensor getTensor(float[] parBorU)
javajs.util.P3[] getCanonicalCopy(float scale, boolean withOffset)
private static float toFractionalX(float x)
private void calcUnitcellVertices()
public boolean checkDistance(javajs.util.P3 f1, javajs.util.P3 f2, float distance, float dx, int iRange, int jRange, int kRange, javajs.util.P3 ptOffset)
f1
- f2
- distance
- dx
- iRange
- jRange
- kRange
- ptOffset
- TODOpublic javajs.util.P3 getUnitCellMultiplier()
public javajs.util.V3[] getUnitCellVectors()
public boolean isSameAs(UnitCell uc)
public java.lang.String getState()