Exemple #1
0
 @Test
 public void testBondMutation() {
   Fragment frag = new Fragment(mock(Element.class));
   Atom a1 = new Atom(1, ChemEl.C, frag);
   Atom a2 = new Atom(2, ChemEl.C, frag);
   Atom a3 = new Atom(3, ChemEl.C, frag);
   Atom a4 = new Atom(4, ChemEl.C, frag);
   frag.addAtom(a1);
   frag.addAtom(a2);
   frag.addAtom(a3);
   frag.addAtom(a4);
   Bond bond = new Bond(a2, a3, 1);
   bond.setOrder(2);
   assertEquals("Order = 2", 2, bond.getOrder());
   BondStereo bondStereo = new BondStereo(new Atom[] {a1, a2, a3, a4}, BondStereoValue.TRANS);
   bond.setBondStereo(bondStereo);
   assertEquals(bondStereo, bond.getBondStereo());
   bond.setSmilesStereochemistry(SMILES_BOND_DIRECTION.LSLASH);
   assertEquals(SMILES_BOND_DIRECTION.LSLASH, bond.getSmilesStereochemistry());
 }