com.chemaxon.search

Interface SimpleSearcher

All Known Implementing Classes:

MolSearch, StandardizedMolSearch

@PublicAPI
public interface SimpleSearcher

Search interface for different Molecule-Molecule search types.

Author:

JChem Base team, Robert Wagner

Method Summary

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.

Method Detail

setQuery

void setQuery(Molecule query)

Sets the query structure of the searcher.

Note: If the molecule is changed, it will need to be reset for the searcher.

Parameters:

query - the query structure

setQuery

void setQuery(Molecule query,
              int[] excludedAtoms)

Sets the query structure of the searcher with excluded atoms. Excluded atoms are not used during the search procedure. Atoms connected to excluded ones keep their stereo features.

Note: If the molecule is changed, it will need to be reset for the searcher.

Parameters:

query - the query structure

excludedAtoms - atoms excluded from search

setTarget

void setTarget(Molecule target)

Sets the target structure of the searcher.

Note: If the molecule is changed, it will need to be reset for the searcher.

Parameters:

target - the target structure

setTarget

void setTarget(Molecule target,
               int[] excludedTargetAtoms)

Sets the target structure of the searcher with excluded atoms. Excluded atoms are not used during the search procedure. Atoms connected to excluded ones keep their stereo features.

Note: If the molecule is changed, it will need to be reset for the searcher.

Parameters:

target - the target structure

excludedTargetAtoms - atoms excluded from search

addMatch

void addMatch(int queryAtom,
              int targetAtom)

Adds a fixed matching between the given query and target atoms. That is, the query atom can only match the given target atom. If such a hit is not possible, no hits will be returned. The use of this method makes the search more effective than checking the hits afterwards.

Parameters:

queryAtom - index of the query atom

targetAtom - index of the target atom

findNextHit

SearchHit findNextHit()
               throws SearchException

Searches for the next hit.

Returns:

the next search hit or null if there is no more hit

Throws:

SearchException - in case some error is encountered.

isMatching

boolean isMatching()
            throws SearchException

Determines if there is a matching between the specified query and target.

Returns:

true if there is matching, false if not.

Throws:

SearchException - in case some error is encountered.