class SpaceGroup
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
(package private) char |
ambiguityType |
private static java.lang.String |
ambiguousNames |
(package private) char |
axisChoice |
private static java.lang.String[] |
canonicalSeitzList |
(package private) boolean |
doNormalize |
(package private) SymmetryOperation[] |
finalOperations |
(package private) HallInfo |
hallInfo |
(package private) java.lang.String |
hallSymbol |
(package private) java.lang.String |
hmSymbol |
(package private) java.lang.String |
hmSymbolAbbr |
(package private) java.lang.String |
hmSymbolAbbrShort |
(package private) java.lang.String |
hmSymbolAlternative |
(package private) java.lang.String |
hmSymbolExt |
(package private) java.lang.String |
hmSymbolFull |
(package private) int |
index |
(package private) java.lang.String |
intlTableNumber |
(package private) java.lang.String |
intlTableNumberExt |
(package private) java.lang.String |
intlTableNumberFull |
private static java.lang.String |
lastInfo |
(package private) char |
latticeCode |
(package private) int |
latticeParameter |
(package private) int |
operationCount |
(package private) SymmetryOperation[] |
operations |
private static int |
sgIndex |
private static SpaceGroup[] |
spaceGroupDefinitions |
(package private) char |
uniqueAxis |
(package private) java.util.Hashtable |
xyzList |
Modifier | Constructor and Description |
---|---|
(package private) |
SpaceGroup(boolean doNormalize) |
private |
SpaceGroup(java.lang.String cifLine) |
Modifier and Type | Method and Description |
---|---|
private int |
addOperation(java.lang.String xyz0,
int opId) |
(package private) int |
addSymmetry(java.lang.String xyz,
int opId) |
private void |
addSymmetry(java.lang.String xyz,
javax.vecmath.Matrix4f operation) |
private void |
buildSpaceGroup(java.lang.String cifLine) |
(package private) static SpaceGroup |
createSpaceGroup(int desiredSpaceGroupIndex,
java.lang.String name,
float[] notionalUnitcell,
boolean doNormalize) |
private static SpaceGroup |
createSpaceGroup(java.lang.String name,
boolean doNormalize) |
private static SpaceGroup |
determineSpaceGroup(java.lang.String name) |
private static SpaceGroup |
determineSpaceGroup(java.lang.String name,
float[] notionalUnitcell) |
private static SpaceGroup |
determineSpaceGroup(java.lang.String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static SpaceGroup |
determineSpaceGroup(java.lang.String name,
SpaceGroup sg) |
private static int |
determineSpaceGroupIndex(java.lang.String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static char |
determineUniqueAxis(float a,
float b,
float c,
float alpha,
float beta,
float gamma) |
private static java.lang.String |
dumpAll() |
private static java.lang.String |
dumpAllSeitz() |
private java.lang.Object |
dumpCanonicalSeitzList() |
(package private) java.lang.String |
dumpInfo(SymmetryInterface cellInfo) |
private void |
generateAllOperators(HallInfo h) |
private void |
generateOperatorsFromXyzInfo(java.lang.String xyzInfo) |
(package private) static java.lang.String |
getInfo(java.lang.String spaceGroup,
SymmetryInterface cellInfo) |
(package private) java.lang.String |
getLatticeDesignation() |
(package private) java.lang.String |
getName() |
(package private) javax.vecmath.Matrix4f |
getOperation(int i) |
(package private) int |
getOperationCount() |
(package private) java.lang.String |
getXyz(int i,
boolean doNormalize) |
(package private) void |
newPoint(int i,
javax.vecmath.Point3f atom1,
javax.vecmath.Point3f atom2,
int transX,
int transY,
int transZ) |
(package private) java.lang.Object |
rotateEllipsoid(int i,
javax.vecmath.Point3f ptTemp,
javax.vecmath.Vector3f[] axes,
UnitCell unitCell,
javax.vecmath.Point3f ptTemp1,
javax.vecmath.Point3f ptTemp2) |
(package private) void |
setFinalOperations(javax.vecmath.Point3f[] atoms,
int atomIndex,
int count,
boolean doNormalize) |
private void |
setLattice(char latticeCode,
boolean isCentrosymmetric) |
(package private) void |
setLattice(int latticeParameter) |
int index
java.lang.String hallSymbol
java.lang.String hmSymbol
java.lang.String hmSymbolFull
java.lang.String hmSymbolExt
java.lang.String hmSymbolAbbr
java.lang.String hmSymbolAlternative
java.lang.String hmSymbolAbbrShort
char ambiguityType
char uniqueAxis
char axisChoice
java.lang.String intlTableNumber
java.lang.String intlTableNumberFull
java.lang.String intlTableNumberExt
HallInfo hallInfo
int latticeParameter
char latticeCode
SymmetryOperation[] operations
int operationCount
boolean doNormalize
SymmetryOperation[] finalOperations
private static java.lang.String[] canonicalSeitzList
java.util.Hashtable xyzList
private static int sgIndex
private static java.lang.String ambiguousNames
private static java.lang.String lastInfo
private static final SpaceGroup[] spaceGroupDefinitions
SpaceGroup(boolean doNormalize)
private SpaceGroup(java.lang.String cifLine)
static SpaceGroup createSpaceGroup(int desiredSpaceGroupIndex, java.lang.String name, float[] notionalUnitcell, boolean doNormalize)
int addSymmetry(java.lang.String xyz, int opId)
void setFinalOperations(javax.vecmath.Point3f[] atoms, int atomIndex, int count, boolean doNormalize)
int getOperationCount()
javax.vecmath.Matrix4f getOperation(int i)
java.lang.String getXyz(int i, boolean doNormalize)
void newPoint(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, UnitCell unitCell, javax.vecmath.Point3f ptTemp1, javax.vecmath.Point3f ptTemp2)
static java.lang.String getInfo(java.lang.String spaceGroup, SymmetryInterface cellInfo)
java.lang.String dumpInfo(SymmetryInterface cellInfo)
java.lang.String getName()
java.lang.String getLatticeDesignation()
void setLattice(int latticeParameter)
private java.lang.Object dumpCanonicalSeitzList()
private static final java.lang.String dumpAll()
private static final java.lang.String dumpAllSeitz()
private void setLattice(char latticeCode, boolean isCentrosymmetric)
private static final SpaceGroup createSpaceGroup(java.lang.String name, boolean doNormalize)
private int addOperation(java.lang.String xyz0, int opId)
private void generateOperatorsFromXyzInfo(java.lang.String xyzInfo)
private void generateAllOperators(HallInfo h)
private void addSymmetry(java.lang.String xyz, javax.vecmath.Matrix4f operation)
private static final SpaceGroup determineSpaceGroup(java.lang.String name)
private static final SpaceGroup determineSpaceGroup(java.lang.String name, SpaceGroup sg)
private static final SpaceGroup determineSpaceGroup(java.lang.String name, float[] notionalUnitcell)
private static final SpaceGroup determineSpaceGroup(java.lang.String name, float a, float b, float c, float alpha, float beta, float gamma, int lastIndex)
private static final int determineSpaceGroupIndex(java.lang.String name, float a, float b, float c, float alpha, float beta, float gamma, int lastIndex)
private static final char determineUniqueAxis(float a, float b, float c, float alpha, float beta, float gamma)
private void buildSpaceGroup(java.lang.String cifLine)