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.
Interface for the mappings (mapped objects).
- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- Source code:
- main
- Belongs to CDK module:
- smsd
-
Method Summary
Modifier and TypeMethodDescriptionint
countMaps
(IAtomContainer target) Deprecated.Returns solution map count.int
countMaps
(TargetProperties target) Deprecated.Returns solution map count.getFirstMap
(IAtomContainer target) Deprecated.Returns first solution map.getFirstMap
(TargetProperties target) Deprecated.Returns first solution map.getMaps
(IAtomContainer target) Deprecated.Returns all solution map.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 Details
-
hasMap
Deprecated.checks if a map exits for a molecule.- Parameters:
molecule
- molecule- Returns:
- true/false.
-
countMaps
Deprecated.Returns solution map count.- Parameters:
target
- target molecule.- Returns:
- map count.
-
getMaps
Deprecated.Returns all solution map.- Parameters:
target
- molecule.- Returns:
- get maps.
-
getFirstMap
Deprecated.Returns first solution map.- Parameters:
target
- molecule.- Returns:
- get first map.
-
hasMap
Deprecated.checks if a map exits for a molecule.- Parameters:
molecule
- molecule- Returns:
- true/false.
-
countMaps
Deprecated.Returns solution map count.- Parameters:
target
- target molecule.- Returns:
- map count.
-
getMaps
Deprecated.Returns all solution map.- Parameters:
target
- molecule.- Returns:
- get maps.
-
getFirstMap
Deprecated.Returns first solution map.- Parameters:
target
- molecule.- Returns:
- get first map.
-