public class SimpleUnitCell
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
protected float |
a |
protected double |
a_ |
protected float |
alpha |
protected float |
b |
protected double |
b_ |
protected float |
beta |
protected float |
c |
protected double |
c_ |
protected double |
cA_ |
protected double |
cB_ |
protected double |
cosAlpha |
protected double |
cosBeta |
protected double |
cosGamma |
protected int |
dimension |
protected float |
gamma |
static int |
INFO_A |
static int |
INFO_ALPHA |
static int |
INFO_B |
static int |
INFO_BETA |
static int |
INFO_C |
static int |
INFO_DIMENSIONS |
static int |
INFO_GAMMA |
javajs.util.M4 |
matrixCartesianToFractional |
protected javajs.util.M4 |
matrixCtoFAbsolute |
javajs.util.M4 |
matrixFractionalToCartesian |
protected javajs.util.M4 |
matrixFtoCAbsolute |
private int |
na |
private int |
nb |
private int |
nc |
protected float[] |
notionalUnitcell |
protected double |
sinAlpha |
protected double |
sinBeta |
protected double |
sinGamma |
protected static float |
toRadians |
protected double |
volume |
Modifier | Constructor and Description |
---|---|
protected |
SimpleUnitCell() |
Modifier and Type | Method and Description |
---|---|
float |
getInfo(int infoType) |
float[] |
getNotionalUnitCell() |
float[] |
getUnitCellAsArray(boolean vectorsOnly) |
static void |
ijkToPoint3f(int nnn,
javajs.util.P3 cell,
int offset)
Expanded cell notation:
111 - 1000 --> center 5,5,5; range 0 to 9 or -5 to +4
1000000 - 1999999 --> center 50,50,50; range 0 to 99 or -50 to +49
1000000000 - 1999999999 --> center 500, 500, 500; range 0 to 999 or -500 to +499
|
boolean |
isPolymer() |
boolean |
isSlab() |
boolean |
isSupercell() |
static boolean |
isValid(float[] parameters) |
static SimpleUnitCell |
newA(float[] parameters) |
protected void |
set(float[] parameters) |
void |
toCartesian(javajs.util.T3 pt,
boolean isAbsolute) |
void |
toFractional(javajs.util.T3 pt,
boolean isAbsolute) |
javajs.util.P3 |
toSupercell(javajs.util.P3 fpt)
convenience return only after changing fpt
|
protected float[] notionalUnitcell
public javajs.util.M4 matrixCartesianToFractional
public javajs.util.M4 matrixFractionalToCartesian
protected static final float toRadians
private int na
private int nb
private int nc
protected float a
protected float b
protected float c
protected float alpha
protected float beta
protected float gamma
protected double cosAlpha
protected double sinAlpha
protected double cosBeta
protected double sinBeta
protected double cosGamma
protected double sinGamma
protected double volume
protected double cA_
protected double cB_
protected double a_
protected double b_
protected double c_
protected int dimension
protected javajs.util.M4 matrixCtoFAbsolute
protected javajs.util.M4 matrixFtoCAbsolute
public static final int INFO_DIMENSIONS
public static final int INFO_GAMMA
public static final int INFO_BETA
public static final int INFO_ALPHA
public static final int INFO_C
public static final int INFO_B
public static final int INFO_A
public boolean isSupercell()
public static boolean isValid(float[] parameters)
public static SimpleUnitCell newA(float[] parameters)
protected void set(float[] parameters)
public javajs.util.P3 toSupercell(javajs.util.P3 fpt)
fpt
- public final void toCartesian(javajs.util.T3 pt, boolean isAbsolute)
public final void toFractional(javajs.util.T3 pt, boolean isAbsolute)
public boolean isPolymer()
public boolean isSlab()
public final float[] getNotionalUnitCell()
public final float[] getUnitCellAsArray(boolean vectorsOnly)
public final float getInfo(int infoType)
public static void ijkToPoint3f(int nnn, javajs.util.P3 cell, int offset)
nnn
- cell
- offset
- 0 or 1 typically; < 0 means "apply no offset"