@Test public void testGetAllAtomMapping() throws InvalidSmilesException { 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 query = sp.parseSmiles("Nc1ccccc1"); Isomorphism smsd = new Isomorphism(query, target, Algorithm.VFLibMCS, true, false, false); assertNotNull(smsd.getFirstAtomMapping()); assertEquals(7, smsd.getFirstAtomMapping().getCount()); assertEquals(4, smsd.getAllAtomMapping().size()); }
@Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); }
VF2MCS extends BaseMCS implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } }
VF2MCS extends BaseMCS implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } VF2MCS(IAtomContainer source, IAtomContainer target, boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  VF2MCS(IQueryAtomContainer source, IAtomContainer target);  VF2MCS(IQueryAtomContainer source, IQueryAtomContainer target); }
VF2MCS extends BaseMCS implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } VF2MCS(IAtomContainer source, IAtomContainer target, boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  VF2MCS(IQueryAtomContainer source, IAtomContainer target);  VF2MCS(IQueryAtomContainer source, IQueryAtomContainer target); @Override synchronized List<AtomAtomMapping> getAllAtomMapping(); @Override synchronized AtomAtomMapping getFirstAtomMapping(); }
VF2MCS extends BaseMCS implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } VF2MCS(IAtomContainer source, IAtomContainer target, boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  VF2MCS(IQueryAtomContainer source, IAtomContainer target);  VF2MCS(IQueryAtomContainer source, IQueryAtomContainer target); @Override synchronized List<AtomAtomMapping> getAllAtomMapping(); @Override synchronized AtomAtomMapping getFirstAtomMapping();  }