org.openscience.cdk.smiles

Class InvPair

java.lang.Object

org.openscience.cdk.smiles.InvPair

All Implemented Interfaces:

Serializable

public class InvPair
extends Object
implements Serializable

This is used to hold the invariance numbers for the canonical labeling of IAtomContainers.

See Also:

Serialized Form

Source code:

master

Belongs to CDK module:

standard

Field Summary

Fields

Modifier and Type	Field and Description
static String	CANONICAL_LABEL
static String	INVARIANCE_PAIR The description used to set the invariance numbers in the atom's property

Constructor Summary

Constructors

Constructor and Description
InvPair()
InvPair(long current, IAtom atom)

Method Summary

Methods

Modifier and Type	Method and Description
void	commit()
boolean	equals(Object object) Check whether this instance equals another instance.
IAtom	getAtom()
long	getCurr() Get the current seed.
long	getLast()
int	getPrime() Get the current prime number.
void	setAtom(IAtom newAtom)
void	setCurr(long newCurr) Set the value of the seed.
void	setLast(long newLast)
void	setPrime() Sets the prime number based on the current seed.
String	toString() String representation.

Methods inherited from class java.lang.Object

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

Field Detail

INVARIANCE_PAIR

public static final String INVARIANCE_PAIR

The description used to set the invariance numbers in the atom's property

See Also:

Constant Field Values

CANONICAL_LABEL

public static final String CANONICAL_LABEL

See Also:

Constant Field Values

Constructor Detail

InvPair

public InvPair()

InvPair

public InvPair(long current,
       IAtom atom)

Method Detail

getLast

public long getLast()

setCurr

public void setCurr(long newCurr)

Set the value of the seed. Note that use of this method implies that a new prime number is desired. If so, make sure to call setPrime() to ensure that a new prime number is obtained using the new seed. Todo make the following robust!

See Also:

getCurr(), setPrime()

getCurr

public long getCurr()

Get the current seed.

Returns:

The seed

See Also:

setCurr(long), setPrime(), getPrime()

equals

public boolean equals(Object object)

Check whether this instance equals another instance.

Overrides:

equals in class Object

Parameters:

object - An instance of InvPair

Returns:

true if they are equal, false otherwise

setLast

public void setLast(long newLast)

setAtom

public void setAtom(IAtom newAtom)

getAtom

public IAtom getAtom()

commit

public void commit()

toString

public String toString()

String representation.

Overrides:

toString in class Object

Returns:

The string representation of the class.

getPrime

public int getPrime()

Get the current prime number.

Returns:

The current prime number

See Also:

setPrime()

setPrime

public void setPrime()

Sets the prime number based on the current seed. Note that if you change the seed via setCurr(long), you should make sure to call this method so that a new prime number is available via getPrime()

See Also:

setCurr(long), getPrime()