Example #1
0
 @SuppressWarnings("unchecked")
 @Test
 public void quadrupleBond() throws Exception {
   IAtom u = mock(IAtom.class);
   IAtom v = mock(IAtom.class);
   IBond b = new Bond(u, v, IBond.Order.QUADRUPLE);
   Map<IAtom, Integer> mock = mock(Map.class);
   when(mock.get(u)).thenReturn(0);
   when(mock.get(v)).thenReturn(1);
   CDKToBeam c2g = new CDKToBeam();
   assertThat(c2g.toBeamEdge(b, mock), is(uk.ac.ebi.beam.Bond.QUADRUPLE.edge(0, 1)));
 }
Example #2
0
 @SuppressWarnings("unchecked")
 @Test
 public void aromaticBond() throws Exception {
   IAtom u = mock(IAtom.class);
   IAtom v = mock(IAtom.class);
   IBond b = new Bond(u, v);
   b.setFlag(CDKConstants.ISAROMATIC, true);
   Map<IAtom, Integer> mock = mock(Map.class);
   when(mock.get(u)).thenReturn(0);
   when(mock.get(v)).thenReturn(1);
   CDKToBeam c2g = new CDKToBeam();
   assertThat(c2g.toBeamEdge(b, mock), is(uk.ac.ebi.beam.Bond.AROMATIC.edge(0, 1)));
 }