org.jmol.api
Interface SymmetryInterface

All Known Implementing Classes:
Symmetry

public interface SymmetryInterface


Method Summary
 boolean addSpaceGroupOperation(java.lang.String xyz)
           
 boolean createSpaceGroup(int desiredSpaceGroupIndex, java.lang.String name, float[] notionalUnitCell, boolean doNormalize)
           
 int determineSpaceGroupIndex(java.lang.String name)
           
 javax.vecmath.Point3f getCartesianOffset()
           
 int[] getCellRange()
           
 boolean getCoordinatesAreFractional()
           
 java.lang.Object[] getEllipsoid(float[] parBorU)
           
 javax.vecmath.Point3f getFractionalOffset()
           
 java.lang.Object getLatticeDesignation()
           
 int getModelIndex()
           
 float[] getNotionalUnitCell()
           
 java.lang.Object getPointGroupInfo(int modelIndex, boolean asDraw, boolean asInfo, java.lang.String type, int index, float scale)
           
 java.lang.String getPointGroupName()
           
 java.lang.Object getSpaceGroup()
           
 java.lang.String getSpaceGroupInfo(java.lang.String name, float[] unitCell)
           
 java.lang.String getSpaceGroupName()
           
 javax.vecmath.Matrix4f getSpaceGroupOperation(int i)
           
 int getSpaceGroupOperationCount()
           
 java.lang.String getSpaceGroupXyz(int i, boolean doNormalize)
           
 java.lang.String getSymmetryInfoString()
           
 java.lang.String[] getSymmetryOperations()
           
 java.lang.String getUnitCellInfo()
           
 float getUnitCellInfo(int infoType)
           
 javax.vecmath.Point3f[] getUnitCellVertices()
           
 boolean haveSpaceGroup()
           
 boolean haveUnitCell()
           
 javax.vecmath.Point3f ijkToPoint3f(int nnn)
           
 boolean isPeriodic()
           
 void newSpaceGroupPoint(int i, javax.vecmath.Point3f atom1, javax.vecmath.Point3f atom2, int transX, int transY, int transZ)
           
 java.lang.Object rotateEllipsoid(int i, javax.vecmath.Point3f ptTemp, javax.vecmath.Vector3f[] axes, javax.vecmath.Point3f ptTemp1, javax.vecmath.Point3f ptTemp2)
           
 void setFinalOperations(javax.vecmath.Point3f[] atoms, int iAtomFirst, int noSymmetryCount, boolean doNormalize)
           
 void setLattice(int latt)
           
 void setModelIndex(int i)
           
 void setOffset(int nnn)
           
 SymmetryInterface setPointGroup(SymmetryInterface pointGroupPrevious, Atom[] atomset, java.util.BitSet bsAtoms, boolean haveVibration, float distanceTolerance, float linearTolerance)
           
 void setSpaceGroup(boolean doNormalize)
           
 void setSpaceGroup(SymmetryInterface symmetry)
           
 void setSymmetryInfo(int modelIndex, java.util.Hashtable modelAuxiliaryInfo)
           
 void setUnitCell(float[] notionalUnitCell)
           
 void setUnitCellOffset(javax.vecmath.Point3f pt)
           
 void toCartesian(javax.vecmath.Point3f pt)
           
 void toFractional(javax.vecmath.Point3f pt)
           
 void toUnitCell(javax.vecmath.Point3f pt, javax.vecmath.Point3f offset)
           
 

Method Detail

setPointGroup

SymmetryInterface setPointGroup(SymmetryInterface pointGroupPrevious,
                                Atom[] atomset,
                                java.util.BitSet bsAtoms,
                                boolean haveVibration,
                                float distanceTolerance,
                                float linearTolerance)

getPointGroupName

java.lang.String getPointGroupName()

getPointGroupInfo

java.lang.Object getPointGroupInfo(int modelIndex,
                                   boolean asDraw,
                                   boolean asInfo,
                                   java.lang.String type,
                                   int index,
                                   float scale)

setSpaceGroup

void setSpaceGroup(boolean doNormalize)

addSpaceGroupOperation

boolean addSpaceGroupOperation(java.lang.String xyz)

setLattice

void setLattice(int latt)

getSpaceGroupName

java.lang.String getSpaceGroupName()

getSpaceGroup

java.lang.Object getSpaceGroup()

setSpaceGroup

void setSpaceGroup(SymmetryInterface symmetry)

createSpaceGroup

boolean createSpaceGroup(int desiredSpaceGroupIndex,
                         java.lang.String name,
                         float[] notionalUnitCell,
                         boolean doNormalize)

haveSpaceGroup

boolean haveSpaceGroup()

determineSpaceGroupIndex

int determineSpaceGroupIndex(java.lang.String name)

getSpaceGroupInfo

java.lang.String getSpaceGroupInfo(java.lang.String name,
                                   float[] unitCell)

getLatticeDesignation

java.lang.Object getLatticeDesignation()

setFinalOperations

void setFinalOperations(javax.vecmath.Point3f[] atoms,
                        int iAtomFirst,
                        int noSymmetryCount,
                        boolean doNormalize)

getSpaceGroupOperationCount

int getSpaceGroupOperationCount()

getSpaceGroupOperation

javax.vecmath.Matrix4f getSpaceGroupOperation(int i)

getSpaceGroupXyz

java.lang.String getSpaceGroupXyz(int i,
                                  boolean doNormalize)

newSpaceGroupPoint

void newSpaceGroupPoint(int i,
                        javax.vecmath.Point3f atom1,
                        javax.vecmath.Point3f atom2,
                        int transX,
                        int transY,
                        int transZ)

rotateEllipsoid

java.lang.Object rotateEllipsoid(int i,
                                 javax.vecmath.Point3f ptTemp,
                                 javax.vecmath.Vector3f[] axes,
                                 javax.vecmath.Point3f ptTemp1,
                                 javax.vecmath.Point3f ptTemp2)

setUnitCell

void setUnitCell(float[] notionalUnitCell)

toCartesian

void toCartesian(javax.vecmath.Point3f pt)

getEllipsoid

java.lang.Object[] getEllipsoid(float[] parBorU)

ijkToPoint3f

javax.vecmath.Point3f ijkToPoint3f(int nnn)

toFractional

void toFractional(javax.vecmath.Point3f pt)

getUnitCellVertices

javax.vecmath.Point3f[] getUnitCellVertices()

getCartesianOffset

javax.vecmath.Point3f getCartesianOffset()

getNotionalUnitCell

float[] getNotionalUnitCell()

toUnitCell

void toUnitCell(javax.vecmath.Point3f pt,
                javax.vecmath.Point3f offset)

setUnitCellOffset

void setUnitCellOffset(javax.vecmath.Point3f pt)

setOffset

void setOffset(int nnn)

getFractionalOffset

javax.vecmath.Point3f getFractionalOffset()

getUnitCellInfo

float getUnitCellInfo(int infoType)

getModelIndex

int getModelIndex()

setModelIndex

void setModelIndex(int i)

getCoordinatesAreFractional

boolean getCoordinatesAreFractional()

getCellRange

int[] getCellRange()

getSymmetryInfoString

java.lang.String getSymmetryInfoString()

getSymmetryOperations

java.lang.String[] getSymmetryOperations()

haveUnitCell

boolean haveUnitCell()

getUnitCellInfo

java.lang.String getUnitCellInfo()

isPeriodic

boolean isPeriodic()

setSymmetryInfo

void setSymmetryInfo(int modelIndex,
                     java.util.Hashtable modelAuxiliaryInfo)