Class VFState
java.lang.Object
org.openscience.cdk.smsd.algorithm.vflib.map.VFState
- All Implemented Interfaces:
IState
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 mapping states between query and target
molecules.
- Author:
- Syed Asad Rahman <asad@ebi.ac.uk>
- Source code:
- main
- Belongs to CDK module:
- smsd
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Constructor Summary
ConstructorsConstructorDescriptionVFState
(IQuery query, TargetProperties target) Deprecated.Initialise the VFState with query and target -
Method Summary
Modifier and TypeMethodDescriptionvoid
Deprecated.Returns this IState's atom map to its original condition.getMap()
Deprecated.Returns the current mapping of query atoms onto target atoms.boolean
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.Deprecated.Returns the next candidate match.Deprecated.Returns a state in which the atoms in match have been added to the current mapping.
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Constructor Details
-
VFState
Deprecated.Initialise the VFState with query and target- Parameters:
query
-target
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Method Details
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backTrack
public void backTrack()Deprecated.Returns this IState's atom map to its original condition. -
getMap
Deprecated.Returns the current mapping of query atoms onto target atoms. This map is shared among all states obtained through nextState. -
hasNextCandidate
public boolean hasNextCandidate()Deprecated.Returns true if another candidate match can be found or false otherwise.- Specified by:
hasNextCandidate
in interfaceIState
- Returns:
- true if another candidate mapping can be found or false otherwise.
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isDead
public boolean isDead()Deprecated.Returns true if no match will come from this IState. -
isGoal
public boolean isGoal()Deprecated.Returns true if all atoms in the query molecule have been mapped. -
isMatchFeasible
Deprecated.Returns true if the given match will work with the current map, or false otherwise.- Specified by:
isMatchFeasible
in interfaceIState
- Parameters:
match
- the match to consider- Returns:
- true if the given match will work with the current map, or false otherwise.
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nextCandidate
Deprecated.Returns the next candidate match.- Specified by:
nextCandidate
in interfaceIState
- Returns:
- the next candidate match.
-
nextState
Deprecated.Returns a state in which the atoms in match have been added to the current mapping.
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