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