Package com.actelion.research.chem.descriptor.flexophore

Class PPNode

java.lang.Object

com.actelion.research.chem.descriptor.flexophore.PPNode

All Implemented Interfaces:

IPPNode, java.lang.Comparable<PPNode>

Direct Known Subclasses:

PPNodeRGroup, PPNodeViz

public class PPNode
extends java.lang.Object
implements java.lang.Comparable<PPNode>, IPPNode

Field Summary

Fields

Modifier and Type	Field	Description
static int	DUMMY_INTERACT_ID
static int	INFO_DEFAULT
static java.lang.String	MULT_FREQ
static int	NUM_BYTES_INTERACTION_TYPE
static java.lang.String	SEPARATOR_ATOMS

Constructor Summary

Constructors

Constructor	Description
PPNode()
PPNode(PPNode node)

Method Summary

Modifier and Type	Method	Description
void	add(int interactionType)	Caution! After finishing all adding's realize() has to be called!
void	addAtoms(PPNode node)	Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.
int	compareTo(PPNode o)
boolean	containsInteractionID(int interactid)
void	copy(PPNode node)	Copy of node into this.
boolean	equalAtoms(PPNode node)	realize() may be called first.
boolean	equals(java.lang.Object o)
byte[]	get()
int	getAtomicNo(int i)
static int	getAtomicNoFromInteractionType(int interactionType)
PPNode	getCopy()	node deep copy.
static PPNode	getDummy()
double	getFractionCarbonInteractions()
static PPNode	getHeteroOnlyNode(PPNode node)
int	getInteractionType(int i)
int	getInteractionTypeCount()	realize() may be called first.
protected static int	getInteractionTypeFromByteArray(byte low, byte med, byte high)
byte	getModeFlexophore()
static int	getNumBytesEntry()
boolean	hasHeteroAtom()
boolean	isAromatic(int i)
boolean	isCarbonExclusiveNode()
static PPNode	read(java.lang.String strNode)
void	realize()	May be called after finishing adding new interaction types.
void	set(byte[] arrInteractionType, byte size)	Flat copy from node into this.
void	setModeFlexophore(byte modeFlexophore)
void	sortInteractionTypes()
java.lang.String	toString()
java.lang.String	toStringLong()
java.lang.String	toStringLongHardPPPoint()

Methods inherited from class java.lang.Object

clone, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

NUM_BYTES_INTERACTION_TYPE

public static final int NUM_BYTES_INTERACTION_TYPE

See Also:

Constant Field Values

DUMMY_INTERACT_ID

public static final int DUMMY_INTERACT_ID

See Also:

Constant Field Values

SEPARATOR_ATOMS

public static final java.lang.String SEPARATOR_ATOMS

See Also:

Constant Field Values

MULT_FREQ

public static final java.lang.String MULT_FREQ

See Also:

Constant Field Values

INFO_DEFAULT

public static final int INFO_DEFAULT

See Also:

Constant Field Values

Constructor Detail

PPNode

public PPNode()

PPNode

public PPNode(PPNode node)

Method Detail

add

public void add(int interactionType)

Caution! After finishing all adding's realize() has to be called!

Parameters:

interactionType -

addAtoms

public void addAtoms(PPNode node)

Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.

Parameters:

node -

compareTo

public int compareTo(PPNode o)

Specified by:

compareTo in interface java.lang.Comparable<PPNode>

containsInteractionID

public boolean containsInteractionID(int interactid)

copy

public void copy(PPNode node)

Copy of node into this.

Parameters:

node -

getCopy

public PPNode getCopy()

node deep copy.

equals

public boolean equals(java.lang.Object o)

Overrides:

equals in class java.lang.Object

realize

public void realize()

May be called after finishing adding new interaction types.

equalAtoms

public boolean equalAtoms(PPNode node)

realize() may be called first.

Parameters:

node -

Returns:

get

public byte[] get()

getInteractionTypeCount

public int getInteractionTypeCount()

realize() may be called first.

Specified by:

getInteractionTypeCount in interface IPPNode

Returns:

getInteractionType

public int getInteractionType(int i)

Specified by:

getInteractionType in interface IPPNode

getInteractionTypeFromByteArray

protected static int getInteractionTypeFromByteArray(byte low,
                                                     byte med,
                                                     byte high)

getAtomicNo

public int getAtomicNo(int i)

isAromatic

public boolean isAromatic(int i)

getAtomicNoFromInteractionType

public static int getAtomicNoFromInteractionType(int interactionType)

getDummy

public static PPNode getDummy()

hasHeteroAtom

public boolean hasHeteroAtom()

Specified by:

hasHeteroAtom in interface IPPNode

isCarbonExclusiveNode

public boolean isCarbonExclusiveNode()

set

public void set(byte[] arrInteractionType,
                byte size)

Flat copy from node into this.

Parameters:

arrInteractionType -

size -

getModeFlexophore

public byte getModeFlexophore()

setModeFlexophore

public void setModeFlexophore(byte modeFlexophore)

sortInteractionTypes

public void sortInteractionTypes()

getFractionCarbonInteractions

public double getFractionCarbonInteractions()

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object

getHeteroOnlyNode

public static PPNode getHeteroOnlyNode(PPNode node)

toStringLong

public java.lang.String toStringLong()

toStringLongHardPPPoint

public java.lang.String toStringLongHardPPPoint()

read

public static PPNode read(java.lang.String strNode)

Parameters:

strNode - i.e. 262,392,4358*2,8582,590088,598407

Returns:

getNumBytesEntry

public static int getNumBytesEntry()