org.openscience.cdk.smsd.algorithm.vflib.interfaces

Interface IState

All Known Implementing Classes:

VFState

Deprecated.

SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

@Deprecated
public interface IState

Interface for the storing the states of the mapping in the VF algorithm.

Author:

Syed Asad Rahman <asad@ebi.ac.uk>

Source code:

master

Belongs to CDK module:

smsd

Method Summary

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

Method Detail

getMap

Map<INode,IAtom> getMap()

Deprecated.

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

Returns:

the current mapping of query atoms onto target atoms

hasNextCandidate

boolean hasNextCandidate()

Deprecated.

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

Returns:

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

nextCandidate

Match nextCandidate()

Deprecated.

Returns the next candidate match.

Returns:

the next candidate match.

isMatchFeasible

boolean isMatchFeasible(Match match)

Deprecated.

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

Parameters:

match - the match to consider

Returns:

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

isGoal

boolean isGoal()

Deprecated.

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

Returns:

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

isDead

boolean isDead()

Deprecated.

Returns true if no match will come from this IState.

Returns:

true if no match will come from this IState

nextState

IState nextState(Match match)

Deprecated.

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

Parameters:

match - the match to consider.

Returns:

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

backTrack

void backTrack()

Deprecated.

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