cct.modelling
Class CCTAtomTypes

java.lang.Object
  extended by cct.modelling.AtomGeometry
      extended by cct.modelling.CCTAtomTypes
All Implemented Interfaces:
java.util.Comparator

public class CCTAtomTypes
extends AtomGeometry
implements java.util.Comparator

Title:

Description:

Copyright: Copyright (c) 2006

Company: ANU


Field Summary
(package private) static java.util.HashSet atomProperties
           
(package private) static java.lang.String BASE_ELEMENT_KEY
           
(package private) static java.lang.String COORDINATION_NUMBER_KEY
           
(package private) static java.lang.String DEFAULT_TYPE_KEY
           
(package private) static java.lang.String defaultProperiesFile
           
(package private) static CCTAtomTypes defValues
           
(package private) static javax.swing.ImageIcon emptyIcon
           
(package private) static java.lang.String GEOMETRY_KEY
           
static java.lang.String LINEAR_GEOMETRY
           
(package private) static java.lang.String MAX_SINGLE_BONDS_KEY
           
(package private) static javax.swing.ImageIcon tetrahedral_2_Icon
           
(package private) static javax.swing.ImageIcon tetrahedral_3_Icon
           
(package private) static javax.swing.ImageIcon tetrahedral_4_Icon
           
static java.lang.String TETRAHEDRAL_GEOMETRY
           
(package private) static javax.swing.ImageIcon trigonal_3_Icon
           
static java.lang.String TRIGONAL_GEOMETRY
           
(package private) static float unsetDiValue
           
(package private) static java.lang.String VDW_DI_KEY
           
(package private) static java.lang.String VDW_RI_KEY
           
 
Fields inherited from class cct.modelling.AtomGeometry
aromaticBonds, ATOM, ATOM_ICON, atomTypes, BENDED_SINGLE_DOUBLE_ATOM, BENDED_SINGLE_DOUBLE_ATOM_ICON, coordNumber, doubleBonds, geometry, icon, LINEAR, LINEAR_DOUBLE_DOUBLE_ATOM, LINEAR_DOUBLE_DOUBLE_ATOM_ICON, LINEAR_SINGLE_SINGLE_ATOM, LINEAR_SINGLE_SINGLE_ATOM_ICON, LINEAR_SINGLE_TRIPLE_ATOM, LINEAR_SINGLE_TRIPLE_ATOM_ICON, OCTAHEDRAL, OCTAHEDRAL_ATOM, OCTAHEDRAL_ATOM_ICON, SEESAW_SHAPED_ATOM, SEESAW_SHAPED_ATOM_ICON, singleBonds, SQUARE, SQUARE_PLANAR_ATOM, SQUARE_PLANAR_ATOM_ICON, T_SHAPED_ATOM, T_SHAPED_ATOM_ICON, TERMINAL_DOUBLE_ATOM, TERMINAL_DOUBLE_ATOM_ICON, TERMINAL_SINGLE_ATOM, TERMINAL_SINGLE_ATOM_ICON, TERMINAL_TRIPLE_ATOM, TERMINAL_TRIPLE_ATOM_ICON, TETRAHEDRAL, TETRAHEDRAL_SS_ATOM, TETRAHEDRAL_SS_ATOM_ICON, TETRAHEDRAL_SSDD_ATOM, TETRAHEDRAL_SSDD_ATOM_ICON, TETRAHEDRAL_SSS_ATOM, TETRAHEDRAL_SSS_ATOM_ICON, TETRAHEDRAL_SSSD_ATOM, TETRAHEDRAL_SSSD_ATOM_ICON, TETRAHEDRAL_SSSS_ATOM, TETRAHEDRAL_SSSS_ATOM_ICON, TRIGONAL, TRIGONAL_BIPYRAMID, TRIGONAL_BIPYRAMID_ATOM, TRIGONAL_BIPYRAMID_ATOM_ICON, TRIGONAL_PLANAR_DSS_ATOM, TRIGONAL_PLANAR_DSS_ATOM_ICON, TRIGONAL_PLANAR_SAA_ATOM, TRIGONAL_PLANAR_SAA_ATOM_ICON, TRIGONAL_PLANAR_SSS_ATOM, TRIGONAL_PLANAR_SSS_ATOM_ICON, tripleBonds, type
 
Constructor Summary
CCTAtomTypes()
           
CCTAtomTypes(java.lang.String propertiesName)
           
 
Method Summary
 int compare(java.lang.Object o1, java.lang.Object o2)
           
 boolean equals(java.lang.Object obj)
           
static CCTAtomTypes getAtomTypeInfo(java.lang.String type)
           
 java.lang.String getAtomTypeName()
           
static java.util.LinkedHashMap getAtomTypes()
           
static int getAtomTypesCount()
           
static CCTAtomTypes[] getAtomTypesForElement(int elem)
           
static CCTAtomTypes[] getAtomTypesForElement(java.lang.String elem)
           
 float getCovalentRadius()
           
 int getElement()
           
static java.util.LinkedHashMap getElementMapping()
           
static javax.swing.ImageIcon getImageIcon(CCTAtomTypes atomType)
           
static java.util.LinkedHashMap getPictureMapping(int element)
           
 float getVDWDIstance()
           
 float getVDWWellDepth()
           
 boolean isDefaultType()
           
static boolean isValidCCTType(java.lang.String type)
           
static void main(java.lang.String[] args)
           
 void setCovalentRadius(float radius)
           
 void setDefaultType(boolean enable)
           
 void setElement(int elem)
           
 void setVDWDIstance(float d)
           
 void setVDWWellDepth(float d)
           
 
Methods inherited from class cct.modelling.AtomGeometry
getAtomGeometry, getCoordinationNumber, getGeometry, getIcon, getMaxSingleBonds, setAtomGeometry, setCoordinationNumber, setMaxSingleBonds
 
Methods inherited from class java.lang.Object
clone, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

LINEAR_GEOMETRY

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

TETRAHEDRAL_GEOMETRY

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

TRIGONAL_GEOMETRY

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

BASE_ELEMENT_KEY

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

DEFAULT_TYPE_KEY

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

COORDINATION_NUMBER_KEY

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

GEOMETRY_KEY

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

MAX_SINGLE_BONDS_KEY

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

VDW_DI_KEY

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

VDW_RI_KEY

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

atomProperties

static java.util.HashSet atomProperties

unsetDiValue

static final float unsetDiValue
See Also:
Constant Field Values

defaultProperiesFile

static java.lang.String defaultProperiesFile

emptyIcon

static javax.swing.ImageIcon emptyIcon

tetrahedral_4_Icon

static javax.swing.ImageIcon tetrahedral_4_Icon

tetrahedral_3_Icon

static javax.swing.ImageIcon tetrahedral_3_Icon

tetrahedral_2_Icon

static javax.swing.ImageIcon tetrahedral_2_Icon

trigonal_3_Icon

static javax.swing.ImageIcon trigonal_3_Icon

defValues

static CCTAtomTypes defValues
Constructor Detail

CCTAtomTypes

public CCTAtomTypes()

CCTAtomTypes

public CCTAtomTypes(java.lang.String propertiesName)
Method Detail

isDefaultType

public boolean isDefaultType()

setDefaultType

public void setDefaultType(boolean enable)

getImageIcon

public static javax.swing.ImageIcon getImageIcon(CCTAtomTypes atomType)

getAtomTypesCount

public static int getAtomTypesCount()

isValidCCTType

public static boolean isValidCCTType(java.lang.String type)

getAtomTypeInfo

public static CCTAtomTypes getAtomTypeInfo(java.lang.String type)

getAtomTypesForElement

public static CCTAtomTypes[] getAtomTypesForElement(int elem)

getAtomTypesForElement

public static CCTAtomTypes[] getAtomTypesForElement(java.lang.String elem)

setElement

public void setElement(int elem)

getElement

public int getElement()

getElementMapping

public static java.util.LinkedHashMap getElementMapping()

getAtomTypes

public static java.util.LinkedHashMap getAtomTypes()

getCovalentRadius

public float getCovalentRadius()

setCovalentRadius

public void setCovalentRadius(float radius)

setVDWWellDepth

public void setVDWWellDepth(float d)

getVDWWellDepth

public float getVDWWellDepth()

setVDWDIstance

public void setVDWDIstance(float d)

getVDWDIstance

public float getVDWDIstance()

getAtomTypeName

public java.lang.String getAtomTypeName()

getPictureMapping

public static java.util.LinkedHashMap getPictureMapping(int element)

main

public static void main(java.lang.String[] args)

compare

public int compare(java.lang.Object o1,
                   java.lang.Object o2)
            throws java.lang.ClassCastException
Specified by:
compare in interface java.util.Comparator
Throws:
java.lang.ClassCastException

equals

public boolean equals(java.lang.Object obj)
Specified by:
equals in interface java.util.Comparator
Overrides:
equals in class java.lang.Object