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) java.lang.String |
crystalClass |
(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 |
private static java.util.Map<java.lang.Integer,javajs.util.Lst<SpaceGroup>> |
htByOpCount |
(package private) int |
index |
(package private) java.lang.String |
intlTableNumber |
(package private) java.lang.String |
intlTableNumberExt |
(package private) java.lang.String |
intlTableNumberFull |
(package private) boolean |
isBilbao |
(package private) boolean |
isBio |
(package private) boolean |
isSSG |
private static java.lang.String |
lastInfo |
(package private) int |
latticeOp |
(package private) int |
latticeParameter |
(package private) java.lang.String |
latticeType |
private int |
modDim |
(package private) java.lang.String |
name |
private static int |
NAME_HALL |
private static int |
NAME_HM |
private static int |
NAME_UNK |
private java.lang.Integer |
nHallOperators |
(package private) int |
operationCount |
(package private) SymmetryOperation[] |
operations |
private static SpaceGroup[] |
SG |
private static int |
sgIndex |
private static java.lang.String[] |
STR_SG
intlNo:options;nOps;schoenflies;hermannMauguin;Hall;BilbaoFlag
|
(package private) char |
uniqueAxis |
(package private) java.util.Map<java.lang.String,java.lang.Integer> |
xyzList |
Modifier | Constructor and Description |
---|---|
private |
SpaceGroup(int index,
java.lang.String cifLine,
boolean doInit) |
Modifier and Type | Method and Description |
---|---|
(package private) boolean |
addLatticeVectors(javajs.util.Lst<float[]> lattvecs) |
private int |
addOp(SymmetryOperation op,
java.lang.String xyz0,
boolean isSpecial) |
private int |
addOperation(java.lang.String xyz0,
int opId,
boolean allowScaling) |
(package private) int |
addSymmetry(java.lang.String xyz,
int opId,
boolean allowScaling) |
(package private) int |
addSymmetrySM(java.lang.String xyz,
javajs.util.M4 operation) |
private void |
buildSpaceGroup(java.lang.String cifLine) |
private int |
checkXYZlist(java.lang.String xyz) |
private static SpaceGroup |
createSGFromList(java.lang.String name,
javajs.util.Lst<?> data) |
(package private) static SpaceGroup |
createSpaceGroup(int desiredSpaceGroupIndex,
java.lang.String name,
java.lang.Object data) |
private static SpaceGroup |
createSpaceGroupN(java.lang.String name) |
private static SpaceGroup[] |
createSpaceGroups() |
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) |
(package private) static SpaceGroup |
determineSpaceGroupNA(java.lang.String name,
float[] unitCellParams) |
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(int opCount,
java.lang.String s) |
private void |
generateAllOperators(HallInfo h) |
private void |
generateOperatorsFromXyzInfo(java.lang.String xyzInfo) |
private static java.lang.String |
getCanonicalSeitz(int i) |
private java.lang.String |
getCanonicalSeitzList() |
(package private) SpaceGroup |
getDerivedSpaceGroup() |
(package private) static java.lang.String |
getInfo(SpaceGroup sg,
java.lang.String spaceGroup,
SymmetryInterface cellInfo) |
(package private) java.lang.String |
getLatticeDesignation() |
(package private) java.lang.String |
getName() |
(package private) static SpaceGroup |
getNull(boolean doInit,
boolean doNormalize,
boolean doFinalize) |
(package private) javajs.util.M4 |
getOperation(int i) |
(package private) int |
getOperationCount() |
(package private) int |
getSiteMultiplicity(javajs.util.P3 pt,
UnitCell unitCell) |
private static SpaceGroup[] |
getSpaceGroups() |
(package private) java.lang.String |
getXyz(int i,
boolean doNormalize) |
private void |
init(boolean addXYZ) |
(package private) void |
newPoint(int i,
javajs.util.P3 atom1,
javajs.util.P3 atom2,
int transX,
int transY,
int transZ) |
(package private) void |
setFinalOperations(javajs.util.P3[] atoms,
int atomIndex,
int count,
boolean doNormalize) |
private void |
setLattice(char latticeCode,
boolean isCentrosymmetric) |
(package private) void |
setLatticeParam(int latticeParameter) |
private static java.lang.String |
toCap(java.lang.String s,
int n) |
java.lang.String |
toString() |
int index
boolean isSSG
java.lang.String name
java.lang.String hallSymbol
java.lang.String crystalClass
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
SymmetryOperation[] operations
SymmetryOperation[] finalOperations
int operationCount
int latticeOp
java.util.Map<java.lang.String,java.lang.Integer> xyzList
private int modDim
boolean doNormalize
boolean isBio
boolean isBilbao
java.lang.String latticeType
private java.lang.Integer nHallOperators
private static java.lang.String[] canonicalSeitzList
private static final int NAME_UNK
private static final int NAME_HM
private static final int NAME_HALL
private static int sgIndex
private static java.lang.String ambiguousNames
private static java.lang.String lastInfo
private static SpaceGroup[] SG
private static java.util.Map<java.lang.Integer,javajs.util.Lst<SpaceGroup>> htByOpCount
private static java.lang.String[] STR_SG
private SpaceGroup(int index, java.lang.String cifLine, boolean doInit)
static SpaceGroup getNull(boolean doInit, boolean doNormalize, boolean doFinalize)
private void init(boolean addXYZ)
static SpaceGroup createSpaceGroup(int desiredSpaceGroupIndex, java.lang.String name, java.lang.Object data)
private static SpaceGroup createSGFromList(java.lang.String name, javajs.util.Lst<?> data)
name
- data
- Lstint addSymmetry(java.lang.String xyz, int opId, boolean allowScaling)
void setFinalOperations(javajs.util.P3[] atoms, int atomIndex, int count, boolean doNormalize)
int getOperationCount()
javajs.util.M4 getOperation(int i)
java.lang.String getXyz(int i, boolean doNormalize)
void newPoint(int i, javajs.util.P3 atom1, javajs.util.P3 atom2, int transX, int transY, int transZ)
static java.lang.String getInfo(SpaceGroup sg, 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(int opCount, java.lang.String s)
private static final java.lang.String dumpAll()
private static final java.lang.String dumpAllSeitz()
private static java.lang.String getCanonicalSeitz(int i)
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, boolean allowScaling)
private int checkXYZlist(java.lang.String xyz)
private int addOp(SymmetryOperation op, java.lang.String xyz0, boolean isSpecial)
private void generateOperatorsFromXyzInfo(java.lang.String xyzInfo)
private void generateAllOperators(HallInfo h)
int addSymmetrySM(java.lang.String xyz, javajs.util.M4 operation)
private static final SpaceGroup determineSpaceGroupN(java.lang.String name)
private static final SpaceGroup determineSpaceGroupNS(java.lang.String name, SpaceGroup sg)
static final SpaceGroup determineSpaceGroupNA(java.lang.String name, float[] unitCellParams)
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 java.lang.String toCap(java.lang.String s, int n)
public java.lang.String toString()
toString
in class java.lang.Object
private static SpaceGroup[] getSpaceGroups()
private static SpaceGroup[] createSpaceGroups()
boolean addLatticeVectors(javajs.util.Lst<float[]> lattvecs)
lattvecs
- could be magnetic centering, in which case there is an additional
lattice parameter that is time reversalint getSiteMultiplicity(javajs.util.P3 pt, UnitCell unitCell)