@Test
public void testSortResultsByEnergies() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer target = sp.parseSmiles("C\\C=C/Nc1cccc(c1)N(O)\\C=C\\C\\C=C\\C=C/C");
    IAtomContainer queryac = sp.parseSmiles("Nc1ccccc1");
    Isomorphism smsd = new Isomorphism(Algorithm.DEFAULT, true);
    smsd.init(queryac, target, true, true);
    smsd.setChemFilters(false, false, false);
    assertEquals(4, smsd.getAllAtomMapping().size());
    Isomorphism smsd1 = new Isomorphism(Algorithm.DEFAULT, true);
    smsd1.init(queryac, target, true, true);
    smsd1.setChemFilters(false, false, true);
    assertEquals(2, smsd1.getAllAtomMapping().size());
}