@TestClass(value="org.openscience.cdk.smsd.algorithm.vflib.VFLibTest") public class VFMapper extends Object implements IMapper
Constructor and Description |
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VFMapper(IAtomContainer queryMolecule,
boolean bondMatcher) |
VFMapper(IQuery query) |
Modifier and Type | Method and Description |
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int |
countMaps(IAtomContainer target)
Returns solution map count.
|
int |
countMaps(TargetProperties targetMolecule)
Returns solution map count.
|
Map<INode,IAtom> |
getFirstMap(IAtomContainer target)
Returns first solution map.
|
Map<INode,IAtom> |
getFirstMap(TargetProperties targetMolecule)
Returns first solution map.
|
List<Map<INode,IAtom>> |
getMaps(IAtomContainer target)
Returns all solution map.
|
List<Map<INode,IAtom>> |
getMaps(TargetProperties targetMolecule)
Returns all solution map.
|
boolean |
hasMap(IAtomContainer targetMolecule)
checks if a map exits for a molecule.
|
boolean |
hasMap(TargetProperties targetMolecule)
checks if a map exits for a molecule.
|
static boolean |
isTimeOut() |
public VFMapper(IQuery query)
query
- public VFMapper(IAtomContainer queryMolecule, boolean bondMatcher)
queryMolecule
- bondMatcher
- public boolean hasMap(IAtomContainer targetMolecule)
public List<Map<INode,IAtom>> getMaps(IAtomContainer target)
public Map<INode,IAtom> getFirstMap(IAtomContainer target)
getFirstMap
in interface IMapper
target
- public int countMaps(IAtomContainer target)
public boolean hasMap(TargetProperties targetMolecule)
public List<Map<INode,IAtom>> getMaps(TargetProperties targetMolecule)
public Map<INode,IAtom> getFirstMap(TargetProperties targetMolecule)
getFirstMap
in interface IMapper
targetMolecule
- public int countMaps(TargetProperties targetMolecule)
public static boolean isTimeOut()