org.openscience.cdk.smsd.algorithm.vflib.map

Class VFState

java.lang.Object

org.openscience.cdk.smsd.algorithm.vflib.map.VFState

All Implemented Interfaces:

IState

@TestClass(value="org.openscience.cdk.smsd.algorithm.vflib.VFLibTest")
public class VFState
extends Object
implements IState

This class finds mapping states between query and target molecules.

Author:

Syed Asad Rahman

Belongs to CDK module:

smsd

Source code:

master

Constructor Summary

Constructors

Constructor and Description
VFState(IQuery query, TargetProperties target) Initialise the VFState with query and target

Method Summary

Methods

Modifier and Type	Method and Description
void	backTrack() Returns this IState's atom map to its original condition.
Map<INode,IAtom>	getMap() Returns the current mapping of query atoms onto target atoms.
boolean	hasNextCandidate() Returns true if another candidate match can be found or false otherwise.
boolean	isDead() Returns true if no match will come from this IState.
boolean	isGoal() Returns true if all atoms in the query molecule have been mapped.
boolean	isMatchFeasible(Match match) Returns true if the given match will work with the current map, or false otherwise.
Match	nextCandidate() Returns the next candidate match.
IState	nextState(Match match) Returns a state in which the atoms in match have been added to the current mapping.

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

VFState

public VFState(IQuery query,
       TargetProperties target)

Initialise the VFState with query and target

Parameters:

query -

target -

Method Detail

backTrack

public void backTrack()

Returns this IState's atom map to its original condition.

Specified by:

backTrack in interface IState

getMap

public Map<INode,IAtom> getMap()

Returns the current mapping of query atoms onto target atoms. This map is shared among all states obtained through nextState.

Specified by:

getMap in interface IState

Returns:

the current mapping of query atoms onto target atoms

hasNextCandidate

public boolean hasNextCandidate()

Returns true if another candidate match can be found or false otherwise.

Specified by:

hasNextCandidate in interface IState

Returns:

true if another candidate mapping can be found or false otherwise.

isDead

public boolean isDead()

Returns true if no match will come from this IState.

Specified by:

isDead in interface IState

Returns:

true if no match will come from this IState

isGoal

public boolean isGoal()

Returns true if all atoms in the query molecule have been mapped.

Specified by:

isGoal in interface IState

Returns:

true if all atoms in the query molecule have been mapped.

isMatchFeasible

public boolean isMatchFeasible(Match match)

Returns true if the given match will work with the current map, or false otherwise.

Specified by:

isMatchFeasible in interface IState

Parameters:

match - the match to consider

Returns:

true if the given match will work with the current map, or false otherwise.

nextCandidate

public Match nextCandidate()

Returns the next candidate match.

Specified by:

nextCandidate in interface IState

Returns:

the next candidate match.

nextState

public IState nextState(Match match)

Returns a state in which the atoms in match have been added to the current mapping.

Specified by:

nextState in interface IState

Parameters:

match - the match to consider.

Returns:

a state in which the atoms in match have been added to the current mapping.