Class VFMapper
- java.lang.Object
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- org.openscience.cdk.smsd.algorithm.vflib.map.VFMapper
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- All Implemented Interfaces:
IMapper
@Deprecated public class VFMapper extends Object implements IMapper
Deprecated.SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.This class finds MCS between query and target molecules using VF2 algorithm.- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
Constructors Constructor Description VFMapper(IAtomContainer queryMolecule, boolean bondMatcher)
Deprecated.VFMapper(IQuery query)
Deprecated.
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description int
countMaps(IAtomContainer target)
Deprecated.Returns solution map count.int
countMaps(TargetProperties targetMolecule)
Deprecated.Returns solution map count.Map<INode,IAtom>
getFirstMap(IAtomContainer target)
Deprecated.Returns first solution map.Map<INode,IAtom>
getFirstMap(TargetProperties targetMolecule)
Deprecated.Returns first solution map.List<Map<INode,IAtom>>
getMaps(IAtomContainer target)
Deprecated.Returns all solution map.List<Map<INode,IAtom>>
getMaps(TargetProperties targetMolecule)
Deprecated.Returns all solution map.protected static TimeManager
getTimeManager()
Deprecated.protected static double
getTimeout()
Deprecated.boolean
hasMap(IAtomContainer targetMolecule)
Deprecated.checks if a map exits for a molecule.boolean
hasMap(TargetProperties targetMolecule)
Deprecated.checks if a map exits for a molecule.static boolean
isTimeOut()
Deprecated.protected static void
setTimeManager(TimeManager aTimeManager)
Deprecated.
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Constructor Detail
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VFMapper
public VFMapper(IQuery query)
Deprecated.- Parameters:
query
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VFMapper
public VFMapper(IAtomContainer queryMolecule, boolean bondMatcher)
Deprecated.- Parameters:
queryMolecule
-bondMatcher
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Method Detail
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getTimeout
protected static double getTimeout()
Deprecated.- Returns:
- the timeout
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getTimeManager
protected static TimeManager getTimeManager()
Deprecated.- Returns:
- the timeManager
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setTimeManager
protected static void setTimeManager(TimeManager aTimeManager)
Deprecated.- Parameters:
aTimeManager
- the timeManager to set
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hasMap
public boolean hasMap(IAtomContainer targetMolecule)
Deprecated.checks if a map exits for a molecule.
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getMaps
public List<Map<INode,IAtom>> getMaps(IAtomContainer target)
Deprecated.Returns all solution map.
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getFirstMap
public Map<INode,IAtom> getFirstMap(IAtomContainer target)
Deprecated.Returns first solution map.- Specified by:
getFirstMap
in interfaceIMapper
- Parameters:
target
-- Returns:
- get first map.
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countMaps
public int countMaps(IAtomContainer target)
Deprecated.Returns solution map count.
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hasMap
public boolean hasMap(TargetProperties targetMolecule)
Deprecated.checks if a map exits for a molecule.
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getMaps
public List<Map<INode,IAtom>> getMaps(TargetProperties targetMolecule)
Deprecated.Returns all solution map.
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getFirstMap
public Map<INode,IAtom> getFirstMap(TargetProperties targetMolecule)
Deprecated.Returns first solution map.- Specified by:
getFirstMap
in interfaceIMapper
- Parameters:
targetMolecule
-- Returns:
- get first map.
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countMaps
public int countMaps(TargetProperties targetMolecule)
Deprecated.Returns solution map count.
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isTimeOut
public static boolean isTimeOut()
Deprecated.
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