package search;

import chemaxon.jchem.db.JChemSearch;
import chemaxon.sss.SearchConstants;
import chemaxon.sss.search.JChemSearchOptions;

/**
 * Example codes for ordering hits
 * 
 * @author Peter Kovacs
 * @author Tamas Csizmazia
 * @version 5.0.3, 04/26/2008
 * 
 */
public class HitsInSpecificOrder {

    public static void main(String[] args) {
	try {

	    SearchExampleBase.tableSetup();
	    
	    JChemSearchOptions jcSearchOptions = new JChemSearchOptions();

	    // When changing search type, it must be first to set!
	    jcSearchOptions.setSearchType(SearchConstants.SIMILARITY);
	    jcSearchOptions.setDissimilarityThreshold((float) 0.6);

	    String strTable = Util.structureTableName;
	    JChemSearch jChemSearch = InitializingSearch.createJChemSearch(
		    Connection.getConnectionHandler(1), "c1ccccc1N", 
		    strTable, jcSearchOptions);

	    // Change the default which is by similarity and id:
	    jChemSearch.setOrder(JChemSearch.ORDERING_BY_ID);
	    jChemSearch.run();

	    System.out.println(jChemSearch.getResultCount()
		    + " hit(s) found (in ID order)");
	    printOut(jChemSearch);

	    jChemSearch.getSearchOptions().setFilterQuery(
		    "select cd_id from " + strTable 
		    + " order by cd_molweight");
	    jChemSearch.run();
	    System.out.println();
	    System.out.println(jChemSearch.getResultCount()
		    + " hit(s) found (in molweight order)");
	    printOut(jChemSearch);
	} catch (Throwable throwable) {
	    throwable.printStackTrace();
	    System.exit(1);
	}
    }

    private static void printOut(JChemSearch jcs) {
	int[] cdIds = jcs.getResults();
	for (int i = 0; i < cdIds.length; i++) {
	    int cdId = cdIds[i];
	    float dissim = jcs.getDissimilarity(i);
	    System.out.println("cd_id: " + cdId 
		    + " dissimilarity: " + dissim);
	}
    }

}