org.jmol.api

Interface SymmetryInterface

public interface SymmetryInterface

Method Summary
abstract booleanaddSpaceGroupOperation(String xyz)
abstract booleancreateSpaceGroup(int desiredSpaceGroupIndex, String name, float[] notionalUnitCell, boolean doNormalize)
abstract intdetermineSpaceGroupIndex(String name)
abstract Point3fgetCartesianOffset()
abstract int[]getCellRange()
abstract booleangetCoordinatesAreFractional()
abstract Object[]getEllipsoid(float[] parBorU)
abstract Point3fgetFractionalOffset()
abstract ObjectgetLatticeDesignation()
abstract intgetModelIndex()
abstract float[]getNotionalUnitCell()
abstract ObjectgetPointGroupInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scale)
abstract StringgetPointGroupName()
abstract ObjectgetSpaceGroup()
abstract StringgetSpaceGroupInfo(String name, float[] unitCell)
abstract StringgetSpaceGroupName()
abstract Matrix4fgetSpaceGroupOperation(int i)
abstract intgetSpaceGroupOperationCount()
abstract StringgetSpaceGroupXyz(int i, boolean doNormalize)
abstract StringgetSymmetryInfoString()
abstract String[]getSymmetryOperations()
abstract floatgetUnitCellInfo(int infoType)
abstract StringgetUnitCellInfo()
abstract Point3f[]getUnitCellVertices()
abstract booleanhaveSpaceGroup()
abstract booleanhaveUnitCell()
abstract Point3fijkToPoint3f(int nnn)
abstract booleanisPeriodic()
abstract voidnewSpaceGroupPoint(int i, Point3f atom1, Point3f atom2, int transX, int transY, int transZ)
abstract ObjectrotateEllipsoid(int i, Point3f ptTemp, Vector3f[] axes, Point3f ptTemp1, Point3f ptTemp2)
abstract voidsetFinalOperations(Point3f[] atoms, int iAtomFirst, int noSymmetryCount, boolean doNormalize)
abstract voidsetLattice(int latt)
abstract voidsetModelIndex(int i)
abstract voidsetOffset(int nnn)
abstract SymmetryInterfacesetPointGroup(SymmetryInterface pointGroupPrevious, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)
abstract voidsetSpaceGroup(boolean doNormalize)
abstract voidsetSpaceGroup(SymmetryInterface symmetry)
abstract voidsetSymmetryInfo(int modelIndex, Hashtable modelAuxiliaryInfo)
abstract voidsetUnitCell(float[] notionalUnitCell)
abstract voidsetUnitCellOffset(Point3f pt)
abstract voidtoCartesian(Point3f pt)
abstract voidtoFractional(Point3f pt)
abstract voidtoUnitCell(Point3f pt, Point3f offset)

Method Detail

addSpaceGroupOperation

public abstract boolean addSpaceGroupOperation(String xyz)

createSpaceGroup

public abstract boolean createSpaceGroup(int desiredSpaceGroupIndex, String name, float[] notionalUnitCell, boolean doNormalize)

determineSpaceGroupIndex

public abstract int determineSpaceGroupIndex(String name)

getCartesianOffset

public abstract Point3f getCartesianOffset()

getCellRange

public abstract int[] getCellRange()

getCoordinatesAreFractional

public abstract boolean getCoordinatesAreFractional()

getEllipsoid

public abstract Object[] getEllipsoid(float[] parBorU)

getFractionalOffset

public abstract Point3f getFractionalOffset()

getLatticeDesignation

public abstract Object getLatticeDesignation()

getModelIndex

public abstract int getModelIndex()

getNotionalUnitCell

public abstract float[] getNotionalUnitCell()

getPointGroupInfo

public abstract Object getPointGroupInfo(int modelIndex, boolean asDraw, boolean asInfo, String type, int index, float scale)

getPointGroupName

public abstract String getPointGroupName()

getSpaceGroup

public abstract Object getSpaceGroup()

getSpaceGroupInfo

public abstract String getSpaceGroupInfo(String name, float[] unitCell)

getSpaceGroupName

public abstract String getSpaceGroupName()

getSpaceGroupOperation

public abstract Matrix4f getSpaceGroupOperation(int i)

getSpaceGroupOperationCount

public abstract int getSpaceGroupOperationCount()

getSpaceGroupXyz

public abstract String getSpaceGroupXyz(int i, boolean doNormalize)

getSymmetryInfoString

public abstract String getSymmetryInfoString()

getSymmetryOperations

public abstract String[] getSymmetryOperations()

getUnitCellInfo

public abstract float getUnitCellInfo(int infoType)

getUnitCellInfo

public abstract String getUnitCellInfo()

getUnitCellVertices

public abstract Point3f[] getUnitCellVertices()

haveSpaceGroup

public abstract boolean haveSpaceGroup()

haveUnitCell

public abstract boolean haveUnitCell()

ijkToPoint3f

public abstract Point3f ijkToPoint3f(int nnn)

isPeriodic

public abstract boolean isPeriodic()

newSpaceGroupPoint

public abstract void newSpaceGroupPoint(int i, Point3f atom1, Point3f atom2, int transX, int transY, int transZ)

rotateEllipsoid

public abstract Object rotateEllipsoid(int i, Point3f ptTemp, Vector3f[] axes, Point3f ptTemp1, Point3f ptTemp2)

setFinalOperations

public abstract void setFinalOperations(Point3f[] atoms, int iAtomFirst, int noSymmetryCount, boolean doNormalize)

setLattice

public abstract void setLattice(int latt)

setModelIndex

public abstract void setModelIndex(int i)

setOffset

public abstract void setOffset(int nnn)

setPointGroup

public abstract SymmetryInterface setPointGroup(SymmetryInterface pointGroupPrevious, Atom[] atomset, BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)

setSpaceGroup

public abstract void setSpaceGroup(boolean doNormalize)

setSpaceGroup

public abstract void setSpaceGroup(SymmetryInterface symmetry)

setSymmetryInfo

public abstract void setSymmetryInfo(int modelIndex, Hashtable modelAuxiliaryInfo)

setUnitCell

public abstract void setUnitCell(float[] notionalUnitCell)

setUnitCellOffset

public abstract void setUnitCellOffset(Point3f pt)

toCartesian

public abstract void toCartesian(Point3f pt)

toFractional

public abstract void toFractional(Point3f pt)

toUnitCell

public abstract void toUnitCell(Point3f pt, Point3f offset)