org.jmol.symmetry
Class PointGroup
java.lang.Object
org.jmol.symmetry.PointGroup
class PointGroup
- extends Object
Method Summary |
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)
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private void |
findAdditionalAxes(int nPlanes)
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private int |
findCAxes()
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private void |
findInversionCenter()
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private int |
findPlanes()
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private void |
getAllAxes(Vector3f v3)
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private boolean |
getAtomsAndElements(Atom[] atomset,
BitSet bsAtoms)
|
private void |
getElementCounts()
|
private int |
getHighestOrder()
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(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)
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private boolean |
isEqual(PointGroup pg)
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private boolean |
isLinear(Point3f[] atoms)
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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)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
axesMaxN
private static final int[] axesMaxN
nUnique
private static final int[] nUnique
s3
private static final int s3
- See Also:
- Constant Field Values
s4
private static final int s4
- See Also:
- Constant Field Values
s5
private static final int s5
- See Also:
- Constant Field Values
s6
private static final int s6
- See Also:
- Constant Field Values
s8
private static final int s8
- See Also:
- Constant Field Values
s10
private static final int s10
- See Also:
- Constant Field Values
s12
private static final int s12
- See Also:
- Constant Field Values
firstProper
private static final int firstProper
- See Also:
- Constant Field Values
c2
private static final int c2
- See Also:
- Constant Field Values
c3
private static final int c3
- See Also:
- Constant Field Values
c4
private static final int c4
- See Also:
- Constant Field Values
c5
private static final int c5
- See Also:
- Constant Field Values
c6
private static final int c6
- See Also:
- Constant Field Values
c8
private static final int c8
- See Also:
- Constant Field Values
maxAxis
private static final int maxAxis
nAxes
private int[] nAxes
axes
private PointGroup.Operation[][] axes
nAtoms
private int nAtoms
radius
private float radius
distanceTolerance
private float distanceTolerance
linearTolerance
private float linearTolerance
cosTolerance
private float cosTolerance
name
private String name
principalAxis
private PointGroup.Operation principalAxis
principalPlane
private PointGroup.Operation principalPlane
vTemp
private final Vector3f vTemp
centerAtomIndex
private int centerAtomIndex
haveInversionCenter
private boolean haveInversionCenter
center
private final Point3f center
atoms
private Point3f[] atoms
elements
private int[] elements
bsAtoms
private BitSet bsAtoms
ATOM_COUNT_MAX
private static final int ATOM_COUNT_MAX
- See Also:
- Constant Field Values
maxElement
int maxElement
eCounts
int[] eCounts
OPERATION_PLANE
static final int OPERATION_PLANE
- See Also:
- Constant Field Values
OPERATION_PROPER_AXIS
static final int OPERATION_PROPER_AXIS
- See Also:
- Constant Field Values
OPERATION_IMPROPER_AXIS
static final int OPERATION_IMPROPER_AXIS
- See Also:
- Constant Field Values
OPERATION_INVERSION_CENTER
static final int OPERATION_INVERSION_CENTER
- See Also:
- Constant Field Values
typeNames
static final String[] typeNames
nOps
int nOps
drawInfo
String drawInfo
drawType
String drawType
drawIndex
int drawIndex
info
Map info
textInfo
String textInfo
PointGroup
private PointGroup()
getName
String getName()
getPointGroup
static PointGroup getPointGroup(PointGroup pgLast,
Atom[] atomset,
BitSet bsAtoms,
boolean haveVibration,
float distanceTolerance,
float linearTolerance)
isEqual
private boolean isEqual(PointGroup pg)
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)
getAtomsAndElements
private boolean getAtomsAndElements(Atom[] atomset,
BitSet bsAtoms)
findInversionCenter
private void findInversionCenter()
checkOperation
private boolean checkOperation(Quaternion q,
Point3f center,
int iOrder)
isLinear
private boolean isLinear(Point3f[] atoms)
isParallel
private boolean isParallel(Vector3f v1,
Vector3f v2)
isPerpendicular
private boolean isPerpendicular(Vector3f v1,
Vector3f v2)
getElementCounts
private void getElementCounts()
findCAxes
private int findCAxes()
getAllAxes
private void getAllAxes(Vector3f v3)
getHighestOrder
private int getHighestOrder()
checkAxisOrder
private boolean checkAxisOrder(int iOrder,
Vector3f v,
Point3f center)
addAxis
private void addAxis(int iOrder,
Vector3f v)
haveAxis
private boolean haveAxis(int iOrder,
Vector3f v)
findPlanes
private int findPlanes()
getPlane
private int getPlane(Vector3f v3)
findAdditionalAxes
private void findAdditionalAxes(int nPlanes)
getInfo
Object getInfo(int modelIndex,
boolean asDraw,
boolean asInfo,
String type,
int index,
float scaleFactor)
isDrawType
boolean isDrawType(String type,
int index)