class SpaceGroup extends Object
Modifier and Type | Field and Description |
---|---|
(package private) char |
ambiguityType |
private static String |
ambiguousNames |
(package private) char |
axisChoice |
private static String[] |
canonicalSeitzList |
(package private) boolean |
doNormalize |
(package private) SymmetryOperation[] |
finalOperations |
(package private) HallInfo |
hallInfo |
(package private) String |
hallSymbol |
(package private) String |
hmSymbol |
(package private) String |
hmSymbolAbbr |
(package private) String |
hmSymbolAbbrShort |
(package private) String |
hmSymbolAlternative |
(package private) String |
hmSymbolExt |
(package private) String |
hmSymbolFull |
(package private) int |
index |
(package private) String |
intlTableNumber |
(package private) String |
intlTableNumberExt |
(package private) String |
intlTableNumberFull |
boolean |
isBio |
(package private) boolean |
isSSG |
private static String |
lastInfo |
(package private) char |
latticeCode |
(package private) int |
latticeOp |
(package private) int |
latticeParameter |
private int |
modDim |
(package private) String |
name |
private static int |
NAME_HALL |
private static int |
NAME_HM |
(package private) int |
operationCount |
private String[] |
operationList |
(package private) SymmetryOperation[] |
operations |
private static int |
sgIndex |
private static SpaceGroup[] |
spaceGroupDefinitions |
(package private) char |
uniqueAxis |
(package private) Map<String,Integer> |
xyzList |
Modifier | Constructor and Description |
---|---|
private |
SpaceGroup(String cifLine,
boolean doInit) |
Modifier and Type | Method and Description |
---|---|
void |
addLatticeVectors(javajs.util.List<float[]> lattvecs) |
private int |
addOp(SymmetryOperation op,
String xyz0,
boolean isSpecial) |
private int |
addOperation(String xyz0,
int opId) |
(package private) int |
addSymmetry(String xyz,
int opId) |
(package private) int |
addSymmetrySM(String xyz,
javajs.util.M4 operation) |
private void |
buildSpaceGroup(String cifLine) |
private static SpaceGroup |
createSGFromList(String name,
javajs.util.List<javajs.util.M4> data) |
(package private) static SpaceGroup |
createSpaceGroup(int desiredSpaceGroupIndex,
String name,
Object data) |
private static SpaceGroup |
createSpaceGroupN(String name) |
private static SpaceGroup |
determineSpaceGroup(String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static int |
determineSpaceGroupIndex(String name,
float a,
float b,
float c,
float alpha,
float beta,
float gamma,
int lastIndex) |
private static SpaceGroup |
determineSpaceGroupN(String name) |
private static SpaceGroup |
determineSpaceGroupNA(String name,
float[] notionalUnitcell) |
private static SpaceGroup |
determineSpaceGroupNS(String name,
SpaceGroup sg) |
private static char |
determineUniqueAxis(float a,
float b,
float c,
float alpha,
float beta,
float gamma) |
private static String |
dumpAll() |
private static String |
dumpAllSeitz() |
private Object |
dumpCanonicalSeitzList() |
(package private) String |
dumpInfo(SymmetryInterface cellInfo) |
private static SpaceGroup |
findSpaceGroup(String s) |
private void |
generateAllOperators(HallInfo h) |
private void |
generateOperatorsFromXyzInfo(String xyzInfo) |
private String |
getCanonicalSeitzList() |
(package private) SpaceGroup |
getDerivedSpaceGroup() |
(package private) static String |
getInfo(String spaceGroup,
SymmetryInterface cellInfo) |
(package private) String |
getLatticeDesignation() |
(package private) String |
getName() |
(package private) static SpaceGroup |
getNull(boolean doInit) |
(package private) javajs.util.M4 |
getOperation(int i) |
(package private) int |
getOperationCount() |
String[] |
getOperationList() |
int |
getSiteMultiplicity(javajs.util.P3 pt,
UnitCell unitCell) |
private static SpaceGroup[] |
getSpaceGroups() |
(package private) String |
getXyz(int i,
boolean doNormalize) |
(package private) void |
newPoint(int i,
javajs.util.P3 atom1,
javajs.util.P3 atom2,
int transX,
int transY,
int transZ) |
(package private) SpaceGroup |
set(boolean doNormalize) |
(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 String[] canonicalSeitzList
int index
boolean isSSG
String name
String hallSymbol
String hmSymbol
String hmSymbolFull
String hmSymbolExt
String hmSymbolAbbr
String hmSymbolAlternative
String hmSymbolAbbrShort
char ambiguityType
char uniqueAxis
char axisChoice
String intlTableNumber
String intlTableNumberFull
String intlTableNumberExt
HallInfo hallInfo
int latticeParameter
char latticeCode
SymmetryOperation[] operations
SymmetryOperation[] finalOperations
int operationCount
int latticeOp
private int modDim
boolean doNormalize
public boolean isBio
private static final int NAME_HALL
private static final int NAME_HM
private static int sgIndex
private static String ambiguousNames
private static String lastInfo
private static SpaceGroup[] spaceGroupDefinitions
private String[] operationList
private SpaceGroup(String cifLine, boolean doInit)
static SpaceGroup getNull(boolean doInit)
SpaceGroup set(boolean doNormalize)
static SpaceGroup createSpaceGroup(int desiredSpaceGroupIndex, String name, Object data)
private static SpaceGroup createSGFromList(String name, javajs.util.List<javajs.util.M4> data)
int addSymmetry(String xyz, int opId)
void setFinalOperations(javajs.util.P3[] atoms, int atomIndex, int count, boolean doNormalize)
int getOperationCount()
javajs.util.M4 getOperation(int i)
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 String getInfo(String spaceGroup, SymmetryInterface cellInfo)
String dumpInfo(SymmetryInterface cellInfo)
cellInfo
- String getName()
String getLatticeDesignation()
void setLatticeParam(int latticeParameter)
private Object dumpCanonicalSeitzList()
SpaceGroup getDerivedSpaceGroup()
private String getCanonicalSeitzList()
private static SpaceGroup findSpaceGroup(String s)
private static final String dumpAll()
private static final String dumpAllSeitz()
private void setLattice(char latticeCode, boolean isCentrosymmetric)
private static final SpaceGroup createSpaceGroupN(String name)
private int addOperation(String xyz0, int opId)
private int addOp(SymmetryOperation op, String xyz0, boolean isSpecial)
private void generateOperatorsFromXyzInfo(String xyzInfo)
private void generateAllOperators(HallInfo h)
int addSymmetrySM(String xyz, javajs.util.M4 operation)
private static final SpaceGroup determineSpaceGroupN(String name)
private static final SpaceGroup determineSpaceGroupNS(String name, SpaceGroup sg)
private static final SpaceGroup determineSpaceGroupNA(String name, float[] notionalUnitcell)
private static final SpaceGroup determineSpaceGroup(String name, float a, float b, float c, float alpha, float beta, float gamma, int lastIndex)
private static final int determineSpaceGroupIndex(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(String cifLine)
private static SpaceGroup[] getSpaceGroups()
public void addLatticeVectors(javajs.util.List<float[]> lattvecs)
public int getSiteMultiplicity(javajs.util.P3 pt, UnitCell unitCell)
public String[] getOperationList()