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 |
private int |
modulationDimension |
(package private) java.lang.String |
name |
private static int |
NAME_HALL |
private static int |
NAME_HM |
(package private) int |
operationCount |
(package private) SymmetryOperation[] |
operations |
private static int |
sgIndex |
private static SpaceGroup[] |
spaceGroupDefinitions |
(package private) char |
uniqueAxis |
(package private) java.util.Map<java.lang.String,java.lang.Integer> |
xyzList |
Modifier | Constructor and Description |
---|---|
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 |
addSymmetrySM(java.lang.String xyz,
Matrix4f operation) |
private void |
buildSpaceGroup(java.lang.String cifLine) |
(package private) static SpaceGroup |
createSpaceGroup(int desiredSpaceGroupIndex,
java.lang.String name,
float[] notionalUnitcell) |
private static SpaceGroup |
createSpaceGroupN(java.lang.String name) |
private static SpaceGroup |
determineSpaceGroup(java.lang.String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static int |
determineSpaceGroupIndex(java.lang.String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static SpaceGroup |
determineSpaceGroupN(java.lang.String name) |
private static SpaceGroup |
determineSpaceGroupNA(java.lang.String name,
float[] notionalUnitcell) |
private static SpaceGroup |
determineSpaceGroupNS(java.lang.String name,
SpaceGroup sg) |
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 static SpaceGroup |
findSpaceGroup(java.lang.String s) |
private void |
generateAllOperators(HallInfo h) |
private void |
generateOperatorsFromXyzInfo(java.lang.String xyzInfo) |
private java.lang.String |
getCanonicalSeitzList() |
(package private) SpaceGroup |
getDerivedSpaceGroup() |
(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) static SpaceGroup |
getNull() |
(package private) Matrix4f |
getOperation(int i) |
(package private) int |
getOperationCount() |
private static SpaceGroup[] |
getSpaceGroups() |
(package private) java.lang.String |
getXyz(int i,
boolean doNormalize) |
(package private) void |
newPoint(int i,
P3 atom1,
P3 atom2,
int transX,
int transY,
int transZ) |
(package private) java.lang.Object |
rotateEllipsoid(int i,
P3 ptTemp,
V3[] axes,
UnitCell unitCell,
P3 ptTemp1,
P3 ptTemp2) |
(package private) SpaceGroup |
set(boolean doNormalize) |
(package private) void |
setFinalOperations(P3[] atoms,
int atomIndex,
int count,
boolean doNormalize) |
private void |
setLattice(char latticeCode,
boolean isCentrosymmetric) |
(package private) void |
setLatticeParam(int latticeParameter) |
int index
java.lang.String name
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.Map<java.lang.String,java.lang.Integer> xyzList
private int modulationDimension
private static final int NAME_HALL
private static final int NAME_HM
private static int sgIndex
private static java.lang.String ambiguousNames
private static java.lang.String lastInfo
private static SpaceGroup[] spaceGroupDefinitions
static SpaceGroup getNull()
SpaceGroup set(boolean doNormalize)
static SpaceGroup createSpaceGroup(int desiredSpaceGroupIndex, java.lang.String name, float[] notionalUnitcell)
int addSymmetry(java.lang.String xyz, int opId)
void setFinalOperations(P3[] atoms, int atomIndex, int count, boolean doNormalize)
int getOperationCount()
Matrix4f getOperation(int i)
java.lang.String getXyz(int i, boolean doNormalize)
java.lang.Object rotateEllipsoid(int i, P3 ptTemp, V3[] axes, UnitCell unitCell, P3 ptTemp1, P3 ptTemp2)
static java.lang.String getInfo(java.lang.String spaceGroup, SymmetryInterface cellInfo)
java.lang.String dumpInfo(SymmetryInterface cellInfo)
cellInfo
- java.lang.String getName()
java.lang.String getLatticeDesignation()
void setLatticeParam(int latticeParameter)
private java.lang.Object dumpCanonicalSeitzList()
SpaceGroup getDerivedSpaceGroup()
private java.lang.String getCanonicalSeitzList()
private static SpaceGroup findSpaceGroup(java.lang.String s)
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 createSpaceGroupN(java.lang.String name)
private int addOperation(java.lang.String xyz0, int opId)
private void generateOperatorsFromXyzInfo(java.lang.String xyzInfo)
private void generateAllOperators(HallInfo h)
private void addSymmetrySM(java.lang.String xyz, Matrix4f operation)
private static final SpaceGroup determineSpaceGroupN(java.lang.String name)
private static final SpaceGroup determineSpaceGroupNS(java.lang.String name, SpaceGroup sg)
private static final SpaceGroup determineSpaceGroupNA(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)
private static SpaceGroup[] getSpaceGroups()