class UnitCell extends SimpleUnitCell
Modifier and Type | Field and Description |
---|---|
private boolean |
allFractionalRelative |
protected javajs.util.P3 |
cartesianOffset |
private javajs.util.P3 |
fractionalOffset |
javajs.util.Lst<java.lang.String> |
moreInfo |
java.lang.String |
name |
private static double |
twoP2 |
protected 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, matrixCtoFANoOffset, matrixFractionalToCartesian, matrixFtoCNoOffset, sinAlpha, sinBeta, sinGamma, SLOP, toRadians, unitCellParams, volume
Modifier | Constructor and Description |
---|---|
private |
UnitCell() |
Modifier and Type | Method and Description |
---|---|
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) |
private float |
fix(float x) |
(package private) javajs.util.P3[] |
getCanonicalCopy(float scale,
boolean withOffset) |
(package private) javajs.util.P3 |
getCartesianOffset() |
(package private) javajs.util.P3 |
getFractionalOffset() |
javajs.util.Quat |
getQuaternionRotation(java.lang.String abc)
Returns a quaternion that will take the standard frame to a view down a
particular axis, expressed as its counterparts.
|
java.lang.String |
getState() |
(package private) Tensor |
getTensor(Viewer vwr,
float[] parBorU) |
javajs.util.P3 |
getUnitCellMultiplier() |
javajs.util.P3[] |
getUnitCellVectors() |
javajs.util.T3[] |
getV0abc(java.lang.Object def) |
(package private) javajs.util.P3[] |
getVertices() |
boolean |
hasOffset() |
(package private) void |
initOrientation(javajs.util.M3 mat) |
private void |
initUnitcellVertices() |
boolean |
isSameAs(UnitCell uc) |
static UnitCell |
newA(float[] params,
boolean setRelative) |
(package private) static UnitCell |
newP(javajs.util.T3[] points,
boolean setRelative)
A special constructor for spacially defined unit cells.
|
void |
reset() |
private void |
setCartesianOffset(javajs.util.T3 origin) |
(package private) void |
setMinMaxLatticeParameters(javajs.util.P3i minXYZ,
javajs.util.P3i maxXYZ) |
(package private) void |
setOffset(javajs.util.T3 pt) |
private static float |
toFractionalX(float x) |
boolean |
toFromPrimitive(boolean toPrimitive,
char type,
javajs.util.T3[] uc) |
(package private) void |
toUnitCell(javajs.util.T3 pt,
javajs.util.T3 offset)
when offset is null, use the current cell, otherwise use the original unit cell
|
void |
unitize(javajs.util.T3 pt) |
getCellWeight, getFractionalOrigin, getInfo, getReciprocal, getUnitCellAsArray, getUnitCellParams, ijkToPoint3f, init, isPolymer, isSlab, isSupercell, isValid, newA, setOabc, toCartesian, toFractional, toFractionalM, toSupercell
private javajs.util.P3[] vertices
private javajs.util.P3 fractionalOffset
private boolean allFractionalRelative
protected final javajs.util.P3 cartesianOffset
protected javajs.util.P3 unitCellMultiplier
public javajs.util.Lst<java.lang.String> moreInfo
public java.lang.String name
private static final double twoP2
private static final javajs.util.V3[] unitVectors
static UnitCell newP(javajs.util.T3[] points, boolean setRelative)
points
- [origin, a, b, c]setRelative
- public static UnitCell newA(float[] params, boolean setRelative)
void initOrientation(javajs.util.M3 mat)
final void toUnitCell(javajs.util.T3 pt, javajs.util.T3 offset)
pt
- offset
- public void unitize(javajs.util.T3 pt)
public void reset()
void setOffset(javajs.util.T3 pt)
private 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()
javajs.util.P3[] getCanonicalCopy(float scale, boolean withOffset)
private static float toFractionalX(float x)
private void initUnitcellVertices()
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.P3[] getUnitCellVectors()
private float fix(float x)
public boolean isSameAs(UnitCell uc)
public boolean hasOffset()
public java.lang.String getState()
public javajs.util.Quat getQuaternionRotation(java.lang.String abc)
abc
- ab bc capublic javajs.util.T3[] getV0abc(java.lang.Object def)
public boolean toFromPrimitive(boolean toPrimitive, char type, javajs.util.T3[] uc)
toPrimitive
- or assumed conventionaltype
- P, R, A, B, C, I(BCC), or F(FCC)uc
- either [origin, va, vb, vc] or just [va, vb, vc]