How to use

difference

method

in

org.openscience.cdk.tools.diff.BondDiff

/**
 * Compare two {@link IChemObject} classes and return the difference as a {@link String}.
 *
 * @param first  the first of the two classes to compare
 * @param second the second of the two classes to compare
 * @return a {@link String} representation of the difference between the first and second {@link IChemObject}.
 */
public static String diff(IChemObject first, IChemObject second) {
  IDifference diff = difference(first, second);
  if (diff == null) {
    return "";
  } else {
    return diff.toString();
  }
}

  @Test
  public void testDifference() {
    IAtom carbon = mock(IAtom.class);
    IAtom oxygen = mock(IAtom.class);

    when(carbon.getSymbol()).thenReturn("C");
    when(oxygen.getSymbol()).thenReturn("O");

    IBond bond1 = mock(IBond.class);
    IBond bond2 = mock(IBond.class);

    when(bond1.getOrder()).thenReturn(IBond.Order.SINGLE);
    when(bond2.getOrder()).thenReturn(IBond.Order.DOUBLE);

    when(bond1.getAtomCount()).thenReturn(2);
    when(bond2.getAtomCount()).thenReturn(2);

    when(bond1.getBegin()).thenReturn(carbon);
    when(bond1.getEnd()).thenReturn(carbon);
    when(bond2.getBegin()).thenReturn(carbon);
    when(bond2.getEnd()).thenReturn(oxygen);

    bond1.setOrder(IBond.Order.SINGLE);
    bond2.setOrder(IBond.Order.DOUBLE);

    IDifference difference = BondDiff.difference(bond1, bond2);
    Assert.assertNotNull(difference);
  }
}

  @Test
  public void testDifference() {
    IAtom carbon = mock(IAtom.class);
    IAtom oxygen = mock(IAtom.class);

    when(carbon.getSymbol()).thenReturn("C");
    when(carbon.getSymbol()).thenReturn("H");

    IBond bond1 = mock(IBond.class);
    IBond bond2 = mock(IBond.class);

    when(bond1.getOrder()).thenReturn(IBond.Order.SINGLE);
    when(bond2.getOrder()).thenReturn(IBond.Order.DOUBLE);

    when(bond1.getAtomCount()).thenReturn(2);
    when(bond2.getAtomCount()).thenReturn(2);

    when(bond1.getBegin()).thenReturn(carbon);
    when(bond1.getEnd()).thenReturn(carbon);
    when(bond2.getBegin()).thenReturn(carbon);
    when(bond2.getEnd()).thenReturn(oxygen);

    bond1.setOrder(IBond.Order.SINGLE);
    bond2.setOrder(IBond.Order.DOUBLE);

    IDifference difference = BondDiff.difference(bond1, bond2);
    Assert.assertNotNull(difference);
  }
}

if (firstAC.getElectronContainer(i) instanceof IBond
    && secondAC.getElectronContainer(i) instanceof IBond) {
  totalDiff.addChild(BondDiff.difference(firstAC.getElectronContainer(i),
      secondAC.getElectronContainer(i)));
} else if (firstAC.getElectronContainer(i) instanceof ILonePair