org.jmol.symmetry

Class SymmetryOperation

class SymmetryOperation extends Matrix4f

Field Summary
Point3fatomTest
booleandoNormalize
Point4ftemp
static String[]twelfths
Stringxyz
StringxyzOriginal
Constructor Summary
SymmetryOperation()
SymmetryOperation(boolean doNormalize)
SymmetryOperation(SymmetryOperation op, Point3f[] atoms, int atomIndex, int count, boolean doNormalize)
Method Summary
static StringdumpCanonicalSeitz(Matrix4f s)
StringdumpInfo()
static StringdumpSeitz(Matrix4f s)
StringgetXyz(boolean normalized)
static StringgetXYZFromMatrix(Matrix4f mat, boolean allPositive)
voidnewPoint(Point3f atom1, Point3f atom2, int transX, int transY, int transZ)
floatnormalizeTwelfths(float iValue)
Vector3f[]rotateEllipsoid(Point3f cartCenter, Vector3f[] vectors, UnitCell unitcell, Point3f ptTemp1, Point3f ptTemp2)
booleansetMatrixFromXYZ(String xyz)
voidsetOffset(Point3f[] atoms, int atomIndex, int count)
voidtransformCartesian(UnitCell unitcell, Point3f pt)
static StringtwelfthsOf(float n12ths)
static StringxyzFraction(float n12ths, boolean allPositive)

Field Detail

atomTest

Point3f atomTest

doNormalize

boolean doNormalize

temp

private Point4f temp

twelfths

private static final String[] twelfths

xyz

String xyz

xyzOriginal

String xyzOriginal

Constructor Detail

SymmetryOperation

SymmetryOperation()

SymmetryOperation

SymmetryOperation(boolean doNormalize)

SymmetryOperation

SymmetryOperation(SymmetryOperation op, Point3f[] atoms, int atomIndex, int count, boolean doNormalize)

Method Detail

dumpCanonicalSeitz

static final String dumpCanonicalSeitz(Matrix4f s)

dumpInfo

String dumpInfo()

dumpSeitz

static final String dumpSeitz(Matrix4f s)

getXyz

String getXyz(boolean normalized)

getXYZFromMatrix

static final String getXYZFromMatrix(Matrix4f mat, boolean allPositive)

newPoint

void newPoint(Point3f atom1, Point3f atom2, int transX, int transY, int transZ)

normalizeTwelfths

private float normalizeTwelfths(float iValue)

rotateEllipsoid

Vector3f[] rotateEllipsoid(Point3f cartCenter, Vector3f[] vectors, UnitCell unitcell, Point3f ptTemp1, Point3f ptTemp2)

setMatrixFromXYZ

boolean setMatrixFromXYZ(String xyz)

setOffset

private void setOffset(Point3f[] atoms, int atomIndex, int count)

transformCartesian

private void transformCartesian(UnitCell unitcell, Point3f pt)

twelfthsOf

private static final String twelfthsOf(float n12ths)

xyzFraction

private static final String xyzFraction(float n12ths, boolean allPositive)