@PublicAPI public interface SimpleSearcher
Modifier and Type | Method and Description |
---|---|
void |
addMatch(int queryAtom,
int targetAtom)
Adds a fixed matching between the given query and target atoms.
|
SearchHit |
findNextHit()
Searches for the next hit.
|
boolean |
isMatching()
Determines if there is a matching between the specified query and target.
|
void |
setQuery(Molecule query)
Sets the query structure of the searcher.
|
void |
setQuery(Molecule query,
int[] excludedAtoms)
Sets the query structure of the searcher with excluded atoms.
|
void |
setTarget(Molecule target)
Sets the target structure of the searcher.
|
void |
setTarget(Molecule target,
int[] excludedTargetAtoms)
Sets the target structure of the searcher with excluded atoms.
|
void setQuery(Molecule query)
Note: If the molecule is changed, it will need to be reset for the searcher.
query
- the query structurevoid setQuery(Molecule query, int[] excludedAtoms)
Note: If the molecule is changed, it will need to be reset for the searcher.
query
- the query structureexcludedAtoms
- atoms excluded from searchvoid setTarget(Molecule target)
Note: If the molecule is changed, it will need to be reset for the searcher.
target
- the target structurevoid setTarget(Molecule target, int[] excludedTargetAtoms)
Note: If the molecule is changed, it will need to be reset for the searcher.
target
- the target structureexcludedTargetAtoms
- atoms excluded from searchvoid addMatch(int queryAtom, int targetAtom)
queryAtom
- index of the query atomtargetAtom
- index of the target atomSearchHit findNextHit() throws SearchException
null
if there is no more hitSearchException
- in case some error is encountered.boolean isMatching() throws SearchException
SearchException
- in case some error is encountered.