@Test public void testGetAllAtomMapping() throws InvalidSmilesException { SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance()); IAtomContainer query = sp.parseSmiles("Nc1cccc(NO)c1"); IAtomContainer target = sp.parseSmiles("Nc1ccccc1"); MCSPlusHandler smsd1 = new MCSPlusHandler(query, target, true, false, false); assertNotNull(smsd1.getFirstAtomMapping()); assertEquals(4, smsd1.getAllAtomMapping().size()); }
@Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); }
MCSPlusHandler implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } }
MCSPlusHandler implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } MCSPlusHandler(IAtomContainer source, IAtomContainer target,
            boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  MCSPlusHandler(IQueryAtomContainer source, IAtomContainer target); }
MCSPlusHandler implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } MCSPlusHandler(IAtomContainer source, IAtomContainer target,
            boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  MCSPlusHandler(IQueryAtomContainer source, IAtomContainer target); @Override synchronized List<AtomAtomMapping> getAllAtomMapping(); @Override synchronized AtomAtomMapping getFirstAtomMapping(); synchronized boolean isTimeout(); }
MCSPlusHandler implements IResults { @Override public synchronized List<AtomAtomMapping> getAllAtomMapping() { return Collections.unmodifiableList(allAtomMCS); } MCSPlusHandler(IAtomContainer source, IAtomContainer target,
            boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType);  MCSPlusHandler(IQueryAtomContainer source, IAtomContainer target); @Override synchronized List<AtomAtomMapping> getAllAtomMapping(); @Override synchronized AtomAtomMapping getFirstAtomMapping(); synchronized boolean isTimeout();  }