Java TestMoleculeFactory.makeImidazole Examples

Example #1

File: CDKToBeamTest.java Project: jaypat87/cdk

 @Test
 public void imidazole_ignoreAromatic() throws Exception {
   Graph g = convert(TestMoleculeFactory.makeImidazole(), true, true, false, true);
   assertThat(g.toSmiles(), is("C=1NC=NC1"));
 }

Example #2

File: CDKToBeamTest.java Project: jaypat87/cdk

 @Test
 public void imidazole() throws Exception {
   Graph g = convert(TestMoleculeFactory.makeImidazole(), true, true);
   assertThat(g.toSmiles(), is("c1[nH]cnc1"));
 }