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