gistfile1.java

import com.metamolecular.mx.io.daylight.SMILESReader;
import com.metamolecular.mx.map.DefaultMapper;
import com.metamolecular.mx.map.Mapper;
import junit.framework.TestCase;

public class Test extends TestCase
{
  public void testSaturatedSulfurDoesntMatchUnsaturatedSulfur()
  {
    Mapper mapper = new DefaultMapper(SMILESReader.read("S-C=O")); 
    
    // or should this pass?
    assertFalse(mapper.hasMap(SMILESReader.read("CCS(=O)C(=O)N(C)C1=CC=C(Cl)C=C1")));
  }
}