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