cct.modelling
Class CCTAtomTypes

java.lang.Object
  cct.modelling.AtomGeometry
      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