org.jmol.symmetry
Class PointGroup
class
PointGroup
extends Object
Method Summary |
void | addAxis(int iOrder, Vector3f v) |
boolean | checkAxisOrder(int iOrder, Vector3f v, Point3f center) |
boolean | checkOperation(Quaternion q, Point3f center, int iOrder) |
void | findAdditionalAxes(int nPlanes) |
int | findCAxes() |
void | findInversionCenter() |
int | findPlanes() |
void | getAllAxes(Vector3f v3) |
boolean | getAtomsAndElements(Atom[] atomset, BitSet bsAtoms) |
void | getElementCounts() |
int | getHighestOrder() |
Object | getInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scaleFactor) |
String | getName() |
int | getPlane(int nPlanes, Vector3f v3, Point3f center2) |
static PointGroup | getPointGroup(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance) |
boolean | haveAxis(int iOrder, Vector3f v) |
boolean | isDrawType(String type, int index) |
boolean | isEqual(PointGroup pg) |
boolean | isLinear(Point3f[] atoms) |
boolean | isParallel(Vector3f v1, Vector3f v2) |
boolean | isPerpendicular(Vector3f v1, Vector3f v2) |
boolean | set(PointGroup pgLast, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance) |
PointGroup.Operation | setPrincipalAxis(int n, int nPlanes) |
PointGroup.Operation | setPrincipalPlane(int n, int nPlanes) |
private static final int ATOM_COUNT_MAX
private Point3f[] atoms
private static final int[] axesMaxN
private static final int c2
private static final int c3
private static final int c4
private static final int c5
private static final int c6
private static final int c8
private final Point3f center
private int centerAtomIndex
private float cosTolerance
private float distanceTolerance
int drawIndex
String drawInfo
String drawType
int[] eCounts
private int[] elements
private static final int firstProper
private boolean haveInversionCenter
Hashtable info
private float linearTolerance
private static final int maxAxis
int maxElement
private int nAtoms
private int[] nAxes
private String name
int nOps
private static final int[] nUnique
static final int OPERATION_IMPROPER_AXIS
static final int OPERATION_INVERSION_CENTER
static final int OPERATION_PLANE
static final int OPERATION_PROPER_AXIS
private float radius
private static final int s10
private static final int s12
private static final int s3
private static final int s4
private static final int s5
private static final int s6
private static final int s8
String textInfo
static final String[] typeNames
private final Vector3f vTemp
private PointGroup()
private void addAxis(int iOrder, Vector3f v)
private boolean checkAxisOrder(int iOrder, Vector3f v, Point3f center)
private boolean checkOperation(
Quaternion q, Point3f center, int iOrder)
private void findAdditionalAxes(int nPlanes)
private int findCAxes()
private void findInversionCenter()
private int findPlanes()
private void getAllAxes(Vector3f v3)
private boolean getAtomsAndElements(
Atom[] atomset, BitSet bsAtoms)
private void getElementCounts()
private int getHighestOrder()
Object getInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scaleFactor)
String getName()
private int getPlane(int nPlanes, Vector3f v3, Point3f center2)
static
PointGroup getPointGroup(
PointGroup pgLast,
Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)
private boolean haveAxis(int iOrder, Vector3f v)
boolean isDrawType(String type, int index)
private boolean isLinear(Point3f[] atoms)
private boolean isParallel(Vector3f v1, Vector3f v2)
private boolean isPerpendicular(Vector3f v1, Vector3f v2)
private boolean set(
PointGroup pgLast,
Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)