Class pmr.cml.CRYSTNode 
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Class pmr.cml.CRYSTNode 

java.lang.Object
   |
   +----pmr.sgml.SGMLNode
           |
           +----pmr.sgml.DrawableSGMLNode
                   |
                   +----pmr.cml.DrawableX_Node
                           |
                           +----pmr.cml.CRYSTNode
public class CRYSTNode
extends DrawableX_Node
holds crystallographic data (cell parameters , spacegroup and symmetry). NOTE: The cell lengths must be given but the angles default to right angles
Author:
(C) P. Murray-Rust, 1996

Constructor Index

o CRYSTNode(String, SGMLTree)

Method Index

o addCellAngles(Angle, Angle, Angle)
add cell angles as a Angle[3] If angles already present, returns false without action.
o addCellLengths(double, double, double)
add cell lengths as a double[3] If cell already present, returns false without action.
o addSpacegroup(String)
adds spacegroup as String; No checks at present, and no defined convention
o addSpacegroupNumber(int)
adds spacegroup as number; No checks at present.
o addSymmetryOperator(RealMatrix)
adds symmetry operator as 4*3 matrix; No checks at present (apart from shape).
o createAndAdd(SGMLTree, int)
o display()
Kicks off a ScrollableTopLevel which contains the object.
o drawIcon(Graphics, int, int)
draw a CML icon
o getAngles()
get cell angles IN DEGREES or null if not present
o getLengths()
get cell lengths IN ANGSTROM or null if not present
o getOrthogonalisationMatrix()
o getSpacegroup()
gets spacegroup as String; No checks at present, and no defined convention null string ("") if not set
o getSpacegroupNumber(int)
gets spacegroup as number; No checks at present.
o getSymmetryOperators()
gets symmetry operators as an array of RealMatrix'es (3 rows, 4 columns)
o mayContain(SGMLNode)
can this node contain others.
o process()
process the data so far.
o showHelp()
display Help

Constructors

o CRYSTNode 
  public CRYSTNode(String giName,
                   SGMLTree tree)

Methods

o createAndAdd 
  public static int createAndAdd(SGMLTree tree,
                                 int parentIndex)
o addCellLengths 
  public boolean addCellLengths(double a,
                                double b,
                                double c)
add cell lengths as a double[3] If cell already present, returns false without action. Arguments MUST BE IN ANGSTROM.
o addCellAngles 
  public boolean addCellAngles(Angle alpha,
                               Angle beta,
                               Angle gamma)
add cell angles as a Angle[3] If angles already present, returns false without action.
o getLengths 
  public double[] getLengths()
get cell lengths IN ANGSTROM or null if not present
o getAngles 
  public double[] getAngles()
get cell angles IN DEGREES or null if not present
o addSpacegroup 
  public void addSpacegroup(String spg)
adds spacegroup as String; No checks at present, and no defined convention
o addSpacegroupNumber 
  public void addSpacegroupNumber(int nsp)
adds spacegroup as number; No checks at present.
o getSpacegroup 
  public String getSpacegroup()
gets spacegroup as String; No checks at present, and no defined convention null string ("") if not set
o getSpacegroupNumber 
  public int getSpacegroupNumber(int nsp)
gets spacegroup as number; No checks at present. 0 if not set;
o addSymmetryOperator 
  public void addSymmetryOperator(RealMatrix m) throws UnconformableMatricesException
adds symmetry operator as 4*3 matrix; No checks at present (apart from shape).
Throws: UnconformableMatricesException
Matrix must be 3 * 4
o getSymmetryOperators 
  public RealMatrix[] getSymmetryOperators()
gets symmetry operators as an array of RealMatrix'es (3 rows, 4 columns)
o showHelp 
  public void showHelp()
display Help
Overrides:
showHelp in class DrawableX_Node
o mayContain 
  public boolean mayContain(SGMLNode n)
can this node contain others.
Overrides:
mayContain in class DrawableX_Node
o process 
  public void process()
process the data so far. A CRYSTNode may not have been supplied with have all lengths or all angles; The lengths will default to NaN; the angles to Math.PI/2
Overrides:
process in class DrawableSGMLNode
o getOrthogonalisationMatrix 
  public RealSquareMatrix getOrthogonalisationMatrix()
o display 
  public void display()
Kicks off a ScrollableTopLevel which contains the object.
Overrides:
display in class DrawableSGMLNode
o drawIcon 
  public int drawIcon(Graphics g,
                      int x,
                      int y)
draw a CML icon
Overrides:
drawIcon in class DrawableX_Node 
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