Package org.jmol.symmetry
Class PointGroup
java.lang.Object
org.jmol.symmetry.PointGroup
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Nested Class Summary
Nested Classes -
Field Summary
FieldsModifier and TypeFieldDescriptionprivate int[]
private PointGroup.Operation[][]
private static final int[]
private javajs.util.BS
private static final int
private static final int
private static final int
private static final int
private static final int
private static final int
private javajs.util.T3
private int
private float
private float
private float
private int
(package private) String
private String
(package private) int[]
private int[]
private static final int
private boolean
private boolean
private boolean
private CubeIterator
private float
private boolean
(package private) int
private static final int
(package private) int
(package private) static final javajs.util.M3
private String
private int
private int[]
(package private) int
private static final int[]
(package private) static final int
(package private) static final int
(package private) static final int
(package private) static final int
private javajs.util.T3[]
private PointGroup.Operation
private PointGroup.Operation
private float
private static final int
private static final int
private static final int
private static final int
private static final int
private static final int
private static final int
private float
(package private) String
(package private) static final String[]
private final javajs.util.V3
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprivate void
addAxis
(int iOrder, javajs.util.V3 v) private boolean
checkAxisOrder
(int iOrder, javajs.util.V3 v, javajs.util.T3 center) private boolean
checkOperation
(javajs.util.Quat q, javajs.util.T3 center, int iOrder) private void
findAdditionalAxes
(int nPlanes) private int
private void
private int
private void
getAllAxes
(javajs.util.V3 v3) private void
private int
(package private) Object
(package private) String
getName()
private int
getPlane
(javajs.util.V3 v3) (package private) static PointGroup
getPointGroup
(PointGroup pgLast, javajs.util.T3 center, javajs.util.T3[] atomset, javajs.util.BS bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance, int maxAtoms, boolean localEnvOnly) private int
getPointIndex
(int j) private boolean
getPointsAndElements
(javajs.util.T3[] atomset) (package private) static javajs.util.Quat
getQuaternion
(javajs.util.V3 v, int iOrder) private boolean
haveAxis
(int iOrder, javajs.util.V3 v) (package private) boolean
isDrawType
(String type, int index, float scale) private boolean
isEqual
(PointGroup pg) private boolean
isLinear
(javajs.util.T3[] atoms) private boolean
isParallel
(javajs.util.V3 v1, javajs.util.V3 v2) private boolean
isPerpendicular
(javajs.util.V3 v1, javajs.util.V3 v2) private boolean
set
(PointGroup pgLast, javajs.util.T3[] atomset) private PointGroup.Operation
setPrincipalAxis
(int n, int nPlanes) private PointGroup.Operation
setPrincipalPlane
(int n, int nPlanes)
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Field Details
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axesMaxN
private static final int[] axesMaxN -
nUnique
private static final int[] nUnique -
s3
private static final int s3- See Also:
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s4
private static final int s4- See Also:
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s5
private static final int s5- See Also:
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s6
private static final int s6- See Also:
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s8
private static final int s8- See Also:
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s10
private static final int s10- See Also:
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s12
private static final int s12- See Also:
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firstProper
private static final int firstProper- See Also:
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c2
private static final int c2- See Also:
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c3
private static final int c3- See Also:
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c4
private static final int c4- See Also:
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c5
private static final int c5- See Also:
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c6
private static final int c6- See Also:
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c8
private static final int c8- See Also:
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maxAxis
private static final int maxAxis -
isAtoms
private boolean isAtoms -
drawInfo
String drawInfo -
info
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textInfo
String textInfo -
iter
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drawType
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drawIndex
private int drawIndex -
scale
private float scale -
nAxes
private int[] nAxes -
axes
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nAtoms
private int nAtoms -
radius
private float radius -
distanceTolerance
private float distanceTolerance -
distanceTolerance2
private float distanceTolerance2 -
linearTolerance
private float linearTolerance -
cosTolerance
private float cosTolerance -
name
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principalAxis
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principalPlane
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vTemp
private final javajs.util.V3 vTemp -
centerAtomIndex
private int centerAtomIndex -
haveInversionCenter
private boolean haveInversionCenter -
center
private javajs.util.T3 center -
points
private javajs.util.T3[] points -
elements
private int[] elements -
atomMap
private int[] atomMap -
bsAtoms
private javajs.util.BS bsAtoms -
haveVibration
private boolean haveVibration -
localEnvOnly
private boolean localEnvOnly -
maxAtoms
int maxAtoms -
maxElement
int maxElement -
eCounts
int[] eCounts -
OPERATION_PLANE
static final int OPERATION_PLANE- See Also:
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OPERATION_PROPER_AXIS
static final int OPERATION_PROPER_AXIS- See Also:
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OPERATION_IMPROPER_AXIS
static final int OPERATION_IMPROPER_AXIS- See Also:
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OPERATION_INVERSION_CENTER
static final int OPERATION_INVERSION_CENTER- See Also:
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typeNames
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mInv
static final javajs.util.M3 mInv -
nOps
int nOps
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Constructor Details
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PointGroup
private PointGroup()
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Method Details
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getName
String getName() -
getPointGroup
static PointGroup getPointGroup(PointGroup pgLast, javajs.util.T3 center, javajs.util.T3[] atomset, javajs.util.BS bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance, int maxAtoms, boolean localEnvOnly) - Parameters:
pgLast
-center
-atomset
- a list of Atom or other Point3fi that implements NodebsAtoms
-haveVibration
- if true, then all items in atomset must be Atom classdistanceTolerance
-linearTolerance
-localEnvOnly
-- Returns:
- a PointGroup object, possibly the last calculated for efficiency
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isEqual
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set
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setPrincipalAxis
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setPrincipalPlane
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getPointsAndElements
private boolean getPointsAndElements(javajs.util.T3[] atomset) -
findInversionCenter
private void findInversionCenter() -
checkOperation
private boolean checkOperation(javajs.util.Quat q, javajs.util.T3 center, int iOrder) -
getPointIndex
private int getPointIndex(int j) -
isLinear
private boolean isLinear(javajs.util.T3[] atoms) -
isParallel
private boolean isParallel(javajs.util.V3 v1, javajs.util.V3 v2) -
isPerpendicular
private boolean isPerpendicular(javajs.util.V3 v1, javajs.util.V3 v2) -
getElementCounts
private void getElementCounts() -
findCAxes
private int findCAxes() -
getAllAxes
private void getAllAxes(javajs.util.V3 v3) -
getHighestOrder
private int getHighestOrder() -
checkAxisOrder
private boolean checkAxisOrder(int iOrder, javajs.util.V3 v, javajs.util.T3 center) -
addAxis
private void addAxis(int iOrder, javajs.util.V3 v) -
haveAxis
private boolean haveAxis(int iOrder, javajs.util.V3 v) -
findPlanes
private int findPlanes() -
getPlane
private int getPlane(javajs.util.V3 v3) -
findAdditionalAxes
private void findAdditionalAxes(int nPlanes) -
getQuaternion
static javajs.util.Quat getQuaternion(javajs.util.V3 v, int iOrder) -
getInfo
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isDrawType
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