org.jmol.symmetry

Class PointGroup

class PointGroup extends Object

Nested Class Summary
classPointGroup.Operation
Field Summary
static intATOM_COUNT_MAX
Point3f[]atoms
PointGroup.Operation[][]axes
static int[]axesMaxN
static intc2
static intc3
static intc4
static intc5
static intc6
static intc8
Point3fcenter
intcenterAtomIndex
floatcosTolerance
floatdistanceTolerance
intdrawIndex
StringdrawInfo
StringdrawType
int[]eCounts
int[]elements
static intfirstProper
booleanhaveInversionCenter
Hashtableinfo
floatlinearTolerance
static intmaxAxis
intmaxElement
intnAtoms
int[]nAxes
Stringname
intnOps
static int[]nUnique
static intOPERATION_IMPROPER_AXIS
static intOPERATION_INVERSION_CENTER
static intOPERATION_PLANE
static intOPERATION_PROPER_AXIS
PointGroup.OperationprincipalAxis
PointGroup.OperationprincipalPlane
floatradius
static ints10
static ints12
static ints3
static ints4
static ints5
static ints6
static ints8
StringtextInfo
static String[]typeNames
Vector3fvTemp
Constructor Summary
PointGroup()
Method Summary
voidaddAxis(int iOrder, Vector3f v)
booleancheckAxisOrder(int iOrder, Vector3f v, Point3f center)
booleancheckOperation(Quaternion q, Point3f center, int iOrder)
voidfindAdditionalAxes(int nPlanes)
intfindCAxes()
voidfindInversionCenter()
intfindPlanes()
voidgetAllAxes(Vector3f v3)
booleangetAtomsAndElements(Atom[] atomset, BitSet bsAtoms)
voidgetElementCounts()
intgetHighestOrder()
ObjectgetInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scaleFactor)
StringgetName()
intgetPlane(int nPlanes, Vector3f v3, Point3f center2)
static PointGroupgetPointGroup(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)
booleanhaveAxis(int iOrder, Vector3f v)
booleanisDrawType(String type, int index)
booleanisEqual(PointGroup pg)
booleanisLinear(Point3f[] atoms)
booleanisParallel(Vector3f v1, Vector3f v2)
booleanisPerpendicular(Vector3f v1, Vector3f v2)
booleanset(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)
PointGroup.OperationsetPrincipalAxis(int n, int nPlanes)
PointGroup.OperationsetPrincipalPlane(int n, int nPlanes)

Field Detail

ATOM_COUNT_MAX

private static final int ATOM_COUNT_MAX

atoms

private Point3f[] atoms

axes

private PointGroup.Operation[][] axes

axesMaxN

private static final int[] axesMaxN

c2

private static final int c2

c3

private static final int c3

c4

private static final int c4

c5

private static final int c5

c6

private static final int c6

c8

private static final int c8

center

private final Point3f center

centerAtomIndex

private int centerAtomIndex

cosTolerance

private float cosTolerance

distanceTolerance

private float distanceTolerance

drawIndex

int drawIndex

drawInfo

String drawInfo

drawType

String drawType

eCounts

int[] eCounts

elements

private int[] elements

firstProper

private static final int firstProper

haveInversionCenter

private boolean haveInversionCenter

info

Hashtable info

linearTolerance

private float linearTolerance

maxAxis

private static final int maxAxis

maxElement

int maxElement

nAtoms

private int nAtoms

nAxes

private int[] nAxes

name

private String name

nOps

int nOps

nUnique

private static final int[] nUnique

OPERATION_IMPROPER_AXIS

static final int OPERATION_IMPROPER_AXIS

OPERATION_INVERSION_CENTER

static final int OPERATION_INVERSION_CENTER

OPERATION_PLANE

static final int OPERATION_PLANE

OPERATION_PROPER_AXIS

static final int OPERATION_PROPER_AXIS

principalAxis

private PointGroup.Operation principalAxis

principalPlane

private PointGroup.Operation principalPlane

radius

private float radius

s10

private static final int s10

s12

private static final int s12

s3

private static final int s3

s4

private static final int s4

s5

private static final int s5

s6

private static final int s6

s8

private static final int s8

textInfo

String textInfo

typeNames

static final String[] typeNames

vTemp

private final Vector3f vTemp

Constructor Detail

PointGroup

private PointGroup()

Method Detail

addAxis

private void addAxis(int iOrder, Vector3f v)

checkAxisOrder

private boolean checkAxisOrder(int iOrder, Vector3f v, Point3f center)

checkOperation

private boolean checkOperation(Quaternion q, Point3f center, int iOrder)

findAdditionalAxes

private void findAdditionalAxes(int nPlanes)

findCAxes

private int findCAxes()

findInversionCenter

private void findInversionCenter()

findPlanes

private int findPlanes()

getAllAxes

private void getAllAxes(Vector3f v3)

getAtomsAndElements

private boolean getAtomsAndElements(Atom[] atomset, BitSet bsAtoms)

getElementCounts

private void getElementCounts()

getHighestOrder

private int getHighestOrder()

getInfo

Object getInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scaleFactor)

getName

String getName()

getPlane

private int getPlane(int nPlanes, Vector3f v3, Point3f center2)

getPointGroup

static PointGroup getPointGroup(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)

haveAxis

private boolean haveAxis(int iOrder, Vector3f v)

isDrawType

boolean isDrawType(String type, int index)

isEqual

private boolean isEqual(PointGroup pg)

isLinear

private boolean isLinear(Point3f[] atoms)

isParallel

private boolean isParallel(Vector3f v1, Vector3f v2)

isPerpendicular

private boolean isPerpendicular(Vector3f v1, Vector3f v2)

set

private boolean set(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)

setPrincipalAxis

private PointGroup.Operation setPrincipalAxis(int n, int nPlanes)

setPrincipalPlane

private PointGroup.Operation setPrincipalPlane(int n, int nPlanes)