Package org.jmol.symmetry
Class PointGroup
- java.lang.Object
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- org.jmol.symmetry.PointGroup
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class PointGroup extends java.lang.Object
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Nested Class Summary
Nested Classes Modifier and Type Class Description private classPointGroup.Operation
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Field Summary
Fields Modifier and Type Field Description private static intATOM_COUNT_MAXprivate PointGroup.Operation[][]axesprivate static int[]axesMaxNprivate BSbsAtomsprivate static intc2private static intc3private static intc4private static intc5private static intc6private static intc8private javajs.util.T3centerprivate intcenterAtomIndexprivate floatcosToleranceprivate floatdistanceToleranceprivate floatdistanceTolerance2private intdrawIndex(package private) java.lang.StringdrawInfoprivate java.lang.StringdrawType(package private) int[]eCountsprivate int[]elementsprivate static intfirstProperprivate booleanhaveInversionCenterprivate booleanhaveVibration(package private) java.util.Map<java.lang.String,java.lang.Object>infoprivate booleanisAtomsprivate CubeIteratoriterprivate floatlinearToleranceprivate booleanlocalEnvOnlyprivate static intmaxAxis(package private) intmaxElementprivate java.lang.Stringnameprivate intnAtomsprivate int[]nAxes(package private) intnOpsprivate static int[]nUnique(package private) static intOPERATION_IMPROPER_AXIS(package private) static intOPERATION_INVERSION_CENTER(package private) static intOPERATION_PLANE(package private) static intOPERATION_PROPER_AXISprivate javajs.util.T3[]pointsprivate PointGroup.OperationprincipalAxisprivate PointGroup.OperationprincipalPlaneprivate floatradiusprivate static ints10private static ints12private static ints3private static ints4private static ints5private static ints6private static ints8private floatscale(package private) java.lang.StringtextInfo(package private) static java.lang.String[]typeNamesprivate javajs.util.V3vTemp
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Constructor Summary
Constructors Modifier Constructor Description privatePointGroup()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description private voidaddAxis(int iOrder, javajs.util.V3 v)private booleancheckAxisOrder(int iOrder, javajs.util.V3 v, javajs.util.T3 center)private booleancheckOperation(javajs.util.Quat q, javajs.util.T3 center, int iOrder)private voidfindAdditionalAxes(int nPlanes)private intfindCAxes()private voidfindInversionCenter()private intfindPlanes()private voidgetAllAxes(javajs.util.V3 v3)private voidgetElementCounts()private intgetHighestOrder()(package private) java.lang.ObjectgetInfo(int modelIndex, java.lang.String drawID, boolean asInfo, java.lang.String type, int index, float scaleFactor)(package private) java.lang.StringgetName()private intgetPlane(javajs.util.V3 v3)(package private) static PointGroupgetPointGroup(PointGroup pgLast, javajs.util.T3 center, javajs.util.T3[] atomset, BS bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance, boolean localEnvOnly)private booleangetPointsAndElements(javajs.util.T3[] atomset)private booleanhaveAxis(int iOrder, javajs.util.V3 v)(package private) booleanisDrawType(java.lang.String type, int index, float scale)private booleanisEqual(PointGroup pg)private booleanisLinear(javajs.util.T3[] atoms)private booleanisParallel(javajs.util.V3 v1, javajs.util.V3 v2)private booleanisPerpendicular(javajs.util.V3 v1, javajs.util.V3 v2)private booleanset(PointGroup pgLast, javajs.util.T3[] atomset)private PointGroup.OperationsetPrincipalAxis(int n, int nPlanes)private PointGroup.OperationsetPrincipalPlane(int n, int nPlanes)
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Field Detail
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axesMaxN
private static final int[] axesMaxN
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nUnique
private static final int[] nUnique
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s3
private static final int s3
- See Also:
- Constant Field Values
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s4
private static final int s4
- See Also:
- Constant Field Values
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s5
private static final int s5
- See Also:
- Constant Field Values
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s6
private static final int s6
- See Also:
- Constant Field Values
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s8
private static final int s8
- See Also:
- Constant Field Values
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s10
private static final int s10
- See Also:
- Constant Field Values
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s12
private static final int s12
- See Also:
- Constant Field Values
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firstProper
private static final int firstProper
- See Also:
- Constant Field Values
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c2
private static final int c2
- See Also:
- Constant Field Values
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c3
private static final int c3
- See Also:
- Constant Field Values
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c4
private static final int c4
- See Also:
- Constant Field Values
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c5
private static final int c5
- See Also:
- Constant Field Values
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c6
private static final int c6
- See Also:
- Constant Field Values
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c8
private static final int c8
- See Also:
- Constant Field Values
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maxAxis
private static final int maxAxis
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isAtoms
private boolean isAtoms
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drawInfo
java.lang.String drawInfo
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info
java.util.Map<java.lang.String,java.lang.Object> info
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textInfo
java.lang.String textInfo
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iter
private CubeIterator iter
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drawType
private java.lang.String drawType
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drawIndex
private int drawIndex
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scale
private float scale
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nAxes
private int[] nAxes
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axes
private PointGroup.Operation[][] axes
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nAtoms
private int nAtoms
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radius
private float radius
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distanceTolerance
private float distanceTolerance
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distanceTolerance2
private float distanceTolerance2
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linearTolerance
private float linearTolerance
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cosTolerance
private float cosTolerance
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name
private java.lang.String name
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principalAxis
private PointGroup.Operation principalAxis
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principalPlane
private PointGroup.Operation principalPlane
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vTemp
private final javajs.util.V3 vTemp
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centerAtomIndex
private int centerAtomIndex
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haveInversionCenter
private boolean haveInversionCenter
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center
private javajs.util.T3 center
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points
private javajs.util.T3[] points
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elements
private int[] elements
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bsAtoms
private BS bsAtoms
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haveVibration
private boolean haveVibration
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localEnvOnly
private boolean localEnvOnly
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ATOM_COUNT_MAX
private static final int ATOM_COUNT_MAX
- See Also:
- Constant Field Values
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maxElement
int maxElement
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eCounts
int[] eCounts
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OPERATION_PLANE
static final int OPERATION_PLANE
- See Also:
- Constant Field Values
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OPERATION_PROPER_AXIS
static final int OPERATION_PROPER_AXIS
- See Also:
- Constant Field Values
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OPERATION_IMPROPER_AXIS
static final int OPERATION_IMPROPER_AXIS
- See Also:
- Constant Field Values
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OPERATION_INVERSION_CENTER
static final int OPERATION_INVERSION_CENTER
- See Also:
- Constant Field Values
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typeNames
static final java.lang.String[] typeNames
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nOps
int nOps
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Method Detail
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getName
java.lang.String getName()
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getPointGroup
static PointGroup getPointGroup(PointGroup pgLast, javajs.util.T3 center, javajs.util.T3[] atomset, BS bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance, boolean localEnvOnly)
- Parameters:
pgLast-center- TODOatomset-bsAtoms-haveVibration-distanceTolerance-linearTolerance-localEnvOnly-- Returns:
- a PointGroup
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isEqual
private boolean isEqual(PointGroup pg)
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set
private boolean set(PointGroup pgLast, javajs.util.T3[] atomset)
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setPrincipalAxis
private PointGroup.Operation setPrincipalAxis(int n, int nPlanes)
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setPrincipalPlane
private PointGroup.Operation setPrincipalPlane(int n, int nPlanes)
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getPointsAndElements
private boolean getPointsAndElements(javajs.util.T3[] atomset)
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findInversionCenter
private void findInversionCenter()
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checkOperation
private boolean checkOperation(javajs.util.Quat q, javajs.util.T3 center, int iOrder)
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isLinear
private boolean isLinear(javajs.util.T3[] atoms)
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isParallel
private boolean isParallel(javajs.util.V3 v1, javajs.util.V3 v2)
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isPerpendicular
private boolean isPerpendicular(javajs.util.V3 v1, javajs.util.V3 v2)
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getElementCounts
private void getElementCounts()
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findCAxes
private int findCAxes()
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getAllAxes
private void getAllAxes(javajs.util.V3 v3)
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getHighestOrder
private int getHighestOrder()
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checkAxisOrder
private boolean checkAxisOrder(int iOrder, javajs.util.V3 v, javajs.util.T3 center)
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addAxis
private void addAxis(int iOrder, javajs.util.V3 v)
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haveAxis
private boolean haveAxis(int iOrder, javajs.util.V3 v)
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findPlanes
private int findPlanes()
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getPlane
private int getPlane(javajs.util.V3 v3)
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findAdditionalAxes
private void findAdditionalAxes(int nPlanes)
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getInfo
java.lang.Object getInfo(int modelIndex, java.lang.String drawID, boolean asInfo, java.lang.String type, int index, float scaleFactor)
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isDrawType
boolean isDrawType(java.lang.String type, int index, float scale)
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