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

Interface IMapper

All Known Implementing Classes:

VFMapper, VFMCSMapper

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 IMapper

Interface for the mappings (mapped objects).

Author:

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

Source code:

master

Belongs to CDK module:

smsd

Method Summary

Modifier and Type	Method and Description
int	countMaps(IAtomContainer target) Deprecated. Returns solution map count.
int	countMaps(TargetProperties target) Deprecated. Returns solution map count.
Map<INode,IAtom>	getFirstMap(IAtomContainer target) Deprecated. Returns first solution map.
Map<INode,IAtom>	getFirstMap(TargetProperties target) Deprecated. Returns first solution map.
List<Map<INode,IAtom>>	getMaps(IAtomContainer target) Deprecated. Returns all solution map.
List<Map<INode,IAtom>>	getMaps(TargetProperties target) Deprecated. Returns all solution map.
boolean	hasMap(IAtomContainer molecule) Deprecated. checks if a map exits for a molecule.
boolean	hasMap(TargetProperties molecule) Deprecated. checks if a map exits for a molecule.

Method Detail

hasMap

boolean hasMap(IAtomContainer molecule)

Deprecated.

checks if a map exits for a molecule.

Parameters:

molecule - molecule

Returns:

true/false.

countMaps

int countMaps(IAtomContainer target)

Deprecated.

Returns solution map count.

Parameters:

target - target molecule.

Returns:

map count.

getMaps

List<Map<INode,IAtom>> getMaps(IAtomContainer target)

Deprecated.

Returns all solution map.

Parameters:

target - molecule.

Returns:

get maps.

getFirstMap

Map<INode,IAtom> getFirstMap(IAtomContainer target)

Deprecated.

Returns first solution map.

Parameters:

target - molecule.

Returns:

get first map.

hasMap

boolean hasMap(TargetProperties molecule)

Deprecated.

checks if a map exits for a molecule.

Parameters:

molecule - molecule

Returns:

true/false.

countMaps

int countMaps(TargetProperties target)

Deprecated.

Returns solution map count.

Parameters:

target - target molecule.

Returns:

map count.

getMaps

List<Map<INode,IAtom>> getMaps(TargetProperties target)

Deprecated.

Returns all solution map.

Parameters:

target - molecule.

Returns:

get maps.

getFirstMap

Map<INode,IAtom> getFirstMap(TargetProperties target)

Deprecated.

Returns first solution map.

Parameters:

target - molecule.

Returns:

get first map.