package org.RDKit; import static org.junit.Assert.*; import java.io.File; import org.junit.*; /** * JUnit tests for MolHash wrappers. */ public class MolHashTest extends GraphMolTest { @Test public void testMolHash1() { ROMol m1; m1 = RWMol.MolFromSmiles("C1CCCC(O)C1c1ccnc(OC)c1"); // we just test a few to make sure that the enum works assertEquals("***1****(*2*****2*)*1", RDKFuncs.MolHash(new RWMol(m1),HashFunction.AnonymousGraph)); assertEquals("COc1cc(C2CCCCC2O)ccn1", RDKFuncs.MolHash(new RWMol(m1),HashFunction.CanonicalSmiles)); assertEquals("COC1CC(C2CCCCC2O)CCN1", RDKFuncs.MolHash(new RWMol(m1),HashFunction.ElementGraph)); } public static void main(String args[]) { org.junit.runner.JUnitCore.main("org.RDKit.MolHashTest"); } }