org.jmol.symmetry
class UnitCell extends SimpleUnitCell
Modifier and Type | Class and Description |
---|---|
protected class |
UnitCell.Esort |
Modifier and Type | Field and Description |
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private boolean |
allFractionalRelative |
private Point3f |
cartesianOffset |
private Point3f |
fractionalOffset |
private static double |
twoP2 |
private Point3f |
unitCellMultiplier |
private Point3f[] |
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 |
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UnitCell(float[] notionalUnitcell) |
Modifier and Type | Method and Description |
---|---|
private void |
calcUnitcellVertices() |
boolean |
checkDistance(Point3f f1,
Point3f f2,
float distance,
float dx,
int iRange,
int jRange,
int kRange,
Point3f ptOffset) |
(package private) String |
dumpInfo(boolean isFull) |
(package private) Point3f[] |
getCanonicalCopy(float scale) |
(package private) Point3f |
getCartesianOffset() |
(package private) Object[] |
getEllipsoid(float[] parBorU) |
Object[] |
getEllipsoid(Vector3f[] vectors,
float a,
float b,
float c) |
(package private) Point3f |
getFractionalOffset() |
Point3f |
getUnitCellMultiplier() |
(package private) Point3f[] |
getVertices() |
(package private) void |
setAllFractionalRelative(boolean TF) |
(package private) void |
setMinMaxLatticeParameters(Point3i minXYZ,
Point3i maxXYZ) |
(package private) void |
setOffset(int nnn) |
(package private) void |
setOffset(Point3f pt) |
(package private) void |
setOrientation(Matrix3f mat) |
private static float |
toFractional(float x) |
(package private) void |
toUnitCell(Point3f pt,
Point3f offset)
when offset is null,
|
getInfo, getNotionalUnitCell, getUnitCellAsArray, ijkToPoint3f, ijkToPoint3f, isPolymer, isSlab, isValid, toCartesian, toFractional
private Point3f[] vertices
private Point3f cartesianOffset
private Point3f fractionalOffset
private boolean allFractionalRelative
private Point3f unitCellMultiplier
private static final double twoP2
void setOrientation(Matrix3f mat)
final void toUnitCell(Point3f pt, Point3f offset)
pt
- offset
- void setAllFractionalRelative(boolean TF)
void setOffset(Point3f pt)
void setOffset(int nnn)
final String dumpInfo(boolean isFull)
Point3f[] getVertices()
Point3f getCartesianOffset()
Point3f getFractionalOffset()
Object[] getEllipsoid(float[] parBorU)
Point3f[] getCanonicalCopy(float scale)
private static float toFractional(float x)
private void calcUnitcellVertices()
public boolean checkDistance(Point3f f1, Point3f f2, float distance, float dx, int iRange, int jRange, int kRange, Point3f ptOffset)
f1
- f2
- distance
- dx
- iRange
- jRange
- kRange
- ptOffset
- TODOpublic Point3f getUnitCellMultiplier()