cct.modelling
Class AtomGeometry

java.lang.Object
  extended by cct.modelling.AtomGeometry
Direct Known Subclasses:
CCTAtomTypes

public class AtomGeometry
extends java.lang.Object

Title:

Description:

Copyright: Copyright (c) 2006

Company: ANU


Field Summary
protected  int aromaticBonds
           
(package private) static java.lang.String ATOM
           
static javax.swing.ImageIcon ATOM_ICON
           
(package private) static java.util.LinkedHashMap<java.lang.String,AtomGeometry> atomTypes
           
(package private) static java.lang.String BENDED_SINGLE_DOUBLE_ATOM
           
(package private) static javax.swing.ImageIcon BENDED_SINGLE_DOUBLE_ATOM_ICON
           
protected  int coordNumber
           
protected  int doubleBonds
           
protected  int geometry
           
protected  javax.swing.ImageIcon icon
           
static int LINEAR
           
(package private) static java.lang.String LINEAR_DOUBLE_DOUBLE_ATOM
           
(package private) static javax.swing.ImageIcon LINEAR_DOUBLE_DOUBLE_ATOM_ICON
           
(package private) static java.lang.String LINEAR_SINGLE_SINGLE_ATOM
           
(package private) static javax.swing.ImageIcon LINEAR_SINGLE_SINGLE_ATOM_ICON
           
(package private) static java.lang.String LINEAR_SINGLE_TRIPLE_ATOM
           
(package private) static javax.swing.ImageIcon LINEAR_SINGLE_TRIPLE_ATOM_ICON
           
static int OCTAHEDRAL
           
(package private) static java.lang.String OCTAHEDRAL_ATOM
           
(package private) static javax.swing.ImageIcon OCTAHEDRAL_ATOM_ICON
           
(package private) static java.lang.String SEESAW_SHAPED_ATOM
           
(package private) static javax.swing.ImageIcon SEESAW_SHAPED_ATOM_ICON
           
protected  int singleBonds
           
static int SQUARE
           
(package private) static java.lang.String SQUARE_PLANAR_ATOM
           
(package private) static javax.swing.ImageIcon SQUARE_PLANAR_ATOM_ICON
           
(package private) static java.lang.String T_SHAPED_ATOM
           
(package private) static javax.swing.ImageIcon T_SHAPED_ATOM_ICON
           
(package private) static java.lang.String TERMINAL_DOUBLE_ATOM
           
(package private) static javax.swing.ImageIcon TERMINAL_DOUBLE_ATOM_ICON
           
(package private) static java.lang.String TERMINAL_SINGLE_ATOM
           
(package private) static javax.swing.ImageIcon TERMINAL_SINGLE_ATOM_ICON
           
(package private) static java.lang.String TERMINAL_TRIPLE_ATOM
           
(package private) static javax.swing.ImageIcon TERMINAL_TRIPLE_ATOM_ICON
           
static int TETRAHEDRAL
           
(package private) static java.lang.String TETRAHEDRAL_SS_ATOM
           
(package private) static javax.swing.ImageIcon TETRAHEDRAL_SS_ATOM_ICON
           
(package private) static java.lang.String TETRAHEDRAL_SSDD_ATOM
           
(package private) static javax.swing.ImageIcon TETRAHEDRAL_SSDD_ATOM_ICON
           
(package private) static java.lang.String TETRAHEDRAL_SSS_ATOM
           
(package private) static javax.swing.ImageIcon TETRAHEDRAL_SSS_ATOM_ICON
           
(package private) static java.lang.String TETRAHEDRAL_SSSD_ATOM
           
(package private) static javax.swing.ImageIcon TETRAHEDRAL_SSSD_ATOM_ICON
           
(package private) static java.lang.String TETRAHEDRAL_SSSS_ATOM
           
(package private) static javax.swing.ImageIcon TETRAHEDRAL_SSSS_ATOM_ICON
           
static int TRIGONAL
           
static int TRIGONAL_BIPYRAMID
           
(package private) static java.lang.String TRIGONAL_BIPYRAMID_ATOM
           
(package private) static javax.swing.ImageIcon TRIGONAL_BIPYRAMID_ATOM_ICON
           
(package private) static java.lang.String TRIGONAL_PLANAR_DSS_ATOM
           
(package private) static javax.swing.ImageIcon TRIGONAL_PLANAR_DSS_ATOM_ICON
           
(package private) static java.lang.String TRIGONAL_PLANAR_SAA_ATOM
           
(package private) static javax.swing.ImageIcon TRIGONAL_PLANAR_SAA_ATOM_ICON
           
(package private) static java.lang.String TRIGONAL_PLANAR_SSS_ATOM
           
(package private) static javax.swing.ImageIcon TRIGONAL_PLANAR_SSS_ATOM_ICON
           
protected  int tripleBonds
           
protected  java.lang.String type
           
 
Constructor Summary
AtomGeometry()
           
AtomGeometry(AtomGeometry aType)
           
AtomGeometry(java.lang.String _type, int coordnum, int singles, int doubles, int aromatics, int triples, int geom, javax.swing.ImageIcon _icon)
           
 
Method Summary
static AtomGeometry getAtomGeometry(java.lang.String gName)
           
 int getCoordinationNumber()
           
 int getGeometry()
           
 javax.swing.ImageIcon getIcon()
           
 int getMaxSingleBonds()
           
 void setAtomGeometry(AtomGeometry aType)
           
 void setCoordinationNumber(int n)
           
 void setMaxSingleBonds(int maxH)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

LINEAR

public static final int LINEAR
See Also:
Constant Field Values

TRIGONAL

public static final int TRIGONAL
See Also:
Constant Field Values

SQUARE

public static final int SQUARE
See Also:
Constant Field Values

TETRAHEDRAL

public static final int TETRAHEDRAL
See Also:
Constant Field Values

TRIGONAL_BIPYRAMID

public static final int TRIGONAL_BIPYRAMID
See Also:
Constant Field Values

OCTAHEDRAL

public static final int OCTAHEDRAL
See Also:
Constant Field Values

ATOM

static final java.lang.String ATOM
See Also:
Constant Field Values

TERMINAL_SINGLE_ATOM

static final java.lang.String TERMINAL_SINGLE_ATOM
See Also:
Constant Field Values

TERMINAL_DOUBLE_ATOM

static final java.lang.String TERMINAL_DOUBLE_ATOM
See Also:
Constant Field Values

TERMINAL_TRIPLE_ATOM

static final java.lang.String TERMINAL_TRIPLE_ATOM
See Also:
Constant Field Values

LINEAR_SINGLE_SINGLE_ATOM

static final java.lang.String LINEAR_SINGLE_SINGLE_ATOM
See Also:
Constant Field Values

LINEAR_DOUBLE_DOUBLE_ATOM

static final java.lang.String LINEAR_DOUBLE_DOUBLE_ATOM
See Also:
Constant Field Values

LINEAR_SINGLE_TRIPLE_ATOM

static final java.lang.String LINEAR_SINGLE_TRIPLE_ATOM
See Also:
Constant Field Values

BENDED_SINGLE_DOUBLE_ATOM

static final java.lang.String BENDED_SINGLE_DOUBLE_ATOM
See Also:
Constant Field Values

TRIGONAL_PLANAR_SSS_ATOM

static final java.lang.String TRIGONAL_PLANAR_SSS_ATOM
See Also:
Constant Field Values

TRIGONAL_PLANAR_DSS_ATOM

static final java.lang.String TRIGONAL_PLANAR_DSS_ATOM
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Constant Field Values

TRIGONAL_PLANAR_SAA_ATOM

static final java.lang.String TRIGONAL_PLANAR_SAA_ATOM
See Also:
Constant Field Values

T_SHAPED_ATOM

static final java.lang.String T_SHAPED_ATOM
See Also:
Constant Field Values

SEESAW_SHAPED_ATOM

static final java.lang.String SEESAW_SHAPED_ATOM
See Also:
Constant Field Values

TETRAHEDRAL_SSSS_ATOM

static final java.lang.String TETRAHEDRAL_SSSS_ATOM
See Also:
Constant Field Values

TETRAHEDRAL_SSS_ATOM

static final java.lang.String TETRAHEDRAL_SSS_ATOM
See Also:
Constant Field Values

TETRAHEDRAL_SS_ATOM

static final java.lang.String TETRAHEDRAL_SS_ATOM
See Also:
Constant Field Values

TETRAHEDRAL_SSSD_ATOM

static final java.lang.String TETRAHEDRAL_SSSD_ATOM
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Constant Field Values

TETRAHEDRAL_SSDD_ATOM

static final java.lang.String TETRAHEDRAL_SSDD_ATOM
See Also:
Constant Field Values

SQUARE_PLANAR_ATOM

static final java.lang.String SQUARE_PLANAR_ATOM
See Also:
Constant Field Values

TRIGONAL_BIPYRAMID_ATOM

static final java.lang.String TRIGONAL_BIPYRAMID_ATOM
See Also:
Constant Field Values

OCTAHEDRAL_ATOM

static final java.lang.String OCTAHEDRAL_ATOM
See Also:
Constant Field Values

ATOM_ICON

public static javax.swing.ImageIcon ATOM_ICON

TERMINAL_SINGLE_ATOM_ICON

static javax.swing.ImageIcon TERMINAL_SINGLE_ATOM_ICON

TERMINAL_DOUBLE_ATOM_ICON

static javax.swing.ImageIcon TERMINAL_DOUBLE_ATOM_ICON

TERMINAL_TRIPLE_ATOM_ICON

static javax.swing.ImageIcon TERMINAL_TRIPLE_ATOM_ICON

LINEAR_SINGLE_SINGLE_ATOM_ICON

static javax.swing.ImageIcon LINEAR_SINGLE_SINGLE_ATOM_ICON

LINEAR_SINGLE_TRIPLE_ATOM_ICON

static javax.swing.ImageIcon LINEAR_SINGLE_TRIPLE_ATOM_ICON

LINEAR_DOUBLE_DOUBLE_ATOM_ICON

static javax.swing.ImageIcon LINEAR_DOUBLE_DOUBLE_ATOM_ICON

BENDED_SINGLE_DOUBLE_ATOM_ICON

static javax.swing.ImageIcon BENDED_SINGLE_DOUBLE_ATOM_ICON

TRIGONAL_PLANAR_SSS_ATOM_ICON

static javax.swing.ImageIcon TRIGONAL_PLANAR_SSS_ATOM_ICON

TRIGONAL_PLANAR_DSS_ATOM_ICON

static javax.swing.ImageIcon TRIGONAL_PLANAR_DSS_ATOM_ICON

TRIGONAL_PLANAR_SAA_ATOM_ICON

static javax.swing.ImageIcon TRIGONAL_PLANAR_SAA_ATOM_ICON

TRIGONAL_BIPYRAMID_ATOM_ICON

static javax.swing.ImageIcon TRIGONAL_BIPYRAMID_ATOM_ICON

T_SHAPED_ATOM_ICON

static javax.swing.ImageIcon T_SHAPED_ATOM_ICON

SQUARE_PLANAR_ATOM_ICON

static javax.swing.ImageIcon SQUARE_PLANAR_ATOM_ICON

SEESAW_SHAPED_ATOM_ICON

static javax.swing.ImageIcon SEESAW_SHAPED_ATOM_ICON

OCTAHEDRAL_ATOM_ICON

static javax.swing.ImageIcon OCTAHEDRAL_ATOM_ICON

TETRAHEDRAL_SSSS_ATOM_ICON

static javax.swing.ImageIcon TETRAHEDRAL_SSSS_ATOM_ICON

TETRAHEDRAL_SSS_ATOM_ICON

static javax.swing.ImageIcon TETRAHEDRAL_SSS_ATOM_ICON

TETRAHEDRAL_SS_ATOM_ICON

static javax.swing.ImageIcon TETRAHEDRAL_SS_ATOM_ICON

TETRAHEDRAL_SSSD_ATOM_ICON

static javax.swing.ImageIcon TETRAHEDRAL_SSSD_ATOM_ICON

TETRAHEDRAL_SSDD_ATOM_ICON

static javax.swing.ImageIcon TETRAHEDRAL_SSDD_ATOM_ICON

atomTypes

static java.util.LinkedHashMap<java.lang.String,AtomGeometry> atomTypes

type

protected java.lang.String type

geometry

protected int geometry

coordNumber

protected int coordNumber

singleBonds

protected int singleBonds

doubleBonds

protected int doubleBonds

aromaticBonds

protected int aromaticBonds

tripleBonds

protected int tripleBonds

icon

protected javax.swing.ImageIcon icon
Constructor Detail

AtomGeometry

public AtomGeometry()

AtomGeometry

public AtomGeometry(java.lang.String _type,
                    int coordnum,
                    int singles,
                    int doubles,
                    int aromatics,
                    int triples,
                    int geom,
                    javax.swing.ImageIcon _icon)

AtomGeometry

public AtomGeometry(AtomGeometry aType)
Method Detail

getIcon

public javax.swing.ImageIcon getIcon()

setAtomGeometry

public void setAtomGeometry(AtomGeometry aType)

getGeometry

public int getGeometry()

getAtomGeometry

public static AtomGeometry getAtomGeometry(java.lang.String gName)

setCoordinationNumber

public void setCoordinationNumber(int n)

getCoordinationNumber

public int getCoordinationNumber()

getMaxSingleBonds

public int getMaxSingleBonds()

setMaxSingleBonds

public void setMaxSingleBonds(int maxH)