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