Field Detail

• index

  int index

• isSSG

  boolean isSSG

• name

  java.lang.String name

• hallSymbol

  java.lang.String hallSymbol

• crystalClass

  java.lang.String crystalClass

• hmSymbol

  java.lang.String hmSymbol

• hmSymbolFull

  java.lang.String hmSymbolFull

• hmSymbolExt

  java.lang.String hmSymbolExt

• hmSymbolAbbr

  java.lang.String hmSymbolAbbr

• hmSymbolAlternative

  java.lang.String hmSymbolAlternative

• hmSymbolAbbrShort

  java.lang.String hmSymbolAbbrShort

• ambiguityType

  char ambiguityType

• uniqueAxis

  char uniqueAxis

• axisChoice

  char axisChoice

• intlTableNumber

  java.lang.String intlTableNumber

• intlTableNumberFull

  java.lang.String intlTableNumberFull

• intlTableNumberExt

  java.lang.String intlTableNumberExt

• hallInfo

  HallInfo hallInfo

• latticeParameter

  int latticeParameter

• operations

  SymmetryOperation[] operations

• finalOperations

  SymmetryOperation[] finalOperations

• operationCount

  int operationCount

• latticeOp

  int latticeOp

• xyzList

  java.util.Map<java.lang.String,​java.lang.Integer> xyzList

• modDim

  private int modDim

• doNormalize

  boolean doNormalize

• isBio

  boolean isBio

• isBilbao

  boolean isBilbao

• latticeType

  java.lang.String latticeType

• nHallOperators

  private java.lang.Integer nHallOperators

• canonicalSeitzList

  private static java.lang.String[] canonicalSeitzList

• NAME_UNK

  private static final int NAME_UNK

  See Also:

  Constant Field Values

• NAME_HM

  private static final int NAME_HM

  See Also:

  Constant Field Values

• NAME_HALL

  private static final int NAME_HALL

  See Also:

  Constant Field Values

• sgIndex

  private static int sgIndex

• ambiguousNames

  private static java.lang.String ambiguousNames

• lastInfo

  private static java.lang.String lastInfo

• SG

  private static SpaceGroup[] SG

• htByOpCount

  private static java.util.Map<java.lang.Integer,​javajs.util.Lst<SpaceGroup>> htByOpCount

• STR_SG

  private static java.lang.String[] STR_SG

  intlNo:options;nOps;schoenflies;hermannMauguin;Hall;BilbaoFlag

Constructor Detail

• SpaceGroup

  private SpaceGroup​(int index,
                     java.lang.String cifLine,
                     boolean doInit)

Method Detail

• getNull

  static SpaceGroup getNull​(boolean doInit,
                            boolean doNormalize,
                            boolean doFinalize)

• init

  private void init​(boolean addXYZ)

• createSpaceGroup

  static SpaceGroup createSpaceGroup​(int desiredSpaceGroupIndex,
                                     java.lang.String name,
                                     java.lang.Object data)

• createSGFromList

  private static SpaceGroup createSGFromList​(java.lang.String name,
                                             javajs.util.Lst<?> data)

  Parameters:

  name -

  data - Lst or Lst

  Returns:

  a new SpaceGroup if successful or null

• addSymmetry

  int addSymmetry​(java.lang.String xyz,
                  int opId,
                  boolean allowScaling)

• setFinalOperations

  void setFinalOperations​(javajs.util.P3[] atoms,
                          int atomIndex,
                          int count,
                          boolean doNormalize)

• getOperationCount

  int getOperationCount()

• getOperation

  javajs.util.M4 getOperation​(int i)

• getXyz

  java.lang.String getXyz​(int i,
                          boolean doNormalize)

• newPoint

  void newPoint​(int i,
                javajs.util.P3 atom1,
                javajs.util.P3 atom2,
                int transX,
                int transY,
                int transZ)

• getInfo

  static java.lang.String getInfo​(SpaceGroup sg,
                                  java.lang.String spaceGroup,
                                  SymmetryInterface cellInfo)

• dumpInfo

  java.lang.String dumpInfo​(SymmetryInterface cellInfo)

  Parameters:

  cellInfo -

  Returns:

  detailed information

• getName

  java.lang.String getName()

• getLatticeDesignation

  java.lang.String getLatticeDesignation()

• setLatticeParam

  void setLatticeParam​(int latticeParameter)

• dumpCanonicalSeitzList

  private java.lang.Object dumpCanonicalSeitzList()

  Returns:

  either a String or a SpaceGroup, depending on index.

• getDerivedSpaceGroup

  SpaceGroup getDerivedSpaceGroup()

  Returns:

  a known space group or null

• getCanonicalSeitzList

  private java.lang.String getCanonicalSeitzList()

• findSpaceGroup

  private static SpaceGroup findSpaceGroup​(int opCount,
                                           java.lang.String s)

• dumpAll

  private static final java.lang.String dumpAll()

• dumpAllSeitz

  private static final java.lang.String dumpAllSeitz()

• getCanonicalSeitz

  private static java.lang.String getCanonicalSeitz​(int i)

• setLattice

  private void setLattice​(char latticeCode,
                          boolean isCentrosymmetric)

• createSpaceGroupN

  private static final SpaceGroup createSpaceGroupN​(java.lang.String name)

• addOperation

  private int addOperation​(java.lang.String xyz0,
                           int opId,
                           boolean allowScaling)

• checkXYZlist

  private int checkXYZlist​(java.lang.String xyz)

• addOp

  private int addOp​(SymmetryOperation op,
                    java.lang.String xyz0,
                    boolean isSpecial)

• generateOperatorsFromXyzInfo

  private void generateOperatorsFromXyzInfo​(java.lang.String xyzInfo)

• generateAllOperators

  private void generateAllOperators​(HallInfo h)

• addSymmetrySM

  int addSymmetrySM​(java.lang.String xyz,
                    javajs.util.M4 operation)

• determineSpaceGroupN

  private static final SpaceGroup determineSpaceGroupN​(java.lang.String name)

• determineSpaceGroupNS

  private static final SpaceGroup determineSpaceGroupNS​(java.lang.String name,
                                                        SpaceGroup sg)

• determineSpaceGroupNA

  static final SpaceGroup determineSpaceGroupNA​(java.lang.String name,
                                                float[] unitCellParams)

• determineSpaceGroup

  private static final SpaceGroup determineSpaceGroup​(java.lang.String name,
                                                      float a,
                                                      float b,
                                                      float c,
                                                      float alpha,
                                                      float beta,
                                                      float gamma,
                                                      int lastIndex)

• determineSpaceGroupIndex

  private static final int determineSpaceGroupIndex​(java.lang.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​(java.lang.String cifLine)

• toCap

  private static java.lang.String toCap​(java.lang.String s,
                                        int n)

• toString

  public java.lang.String toString()

  Overrides:

  toString in class java.lang.Object

• getSpaceGroups

  private static SpaceGroup[] getSpaceGroups()

• createSpaceGroups

  private static SpaceGroup[] createSpaceGroups()

• addLatticeVectors

  boolean addLatticeVectors​(javajs.util.Lst<float[]> lattvecs)

  Parameters:

  lattvecs - could be magnetic centering, in which case there is an additional lattice parameter that is time reversal

  Returns:

  true if successful

• getSiteMultiplicity

  int getSiteMultiplicity​(javajs.util.P3 pt,
                          UnitCell unitCell)