public void TestToString()
{
ChemObjectDifference diff = new ChemObjectDifference("AtomTypeDiff");
string diffString = diff.ToString();
Assert.IsNotNull(diffString);
Assert.AreEqual(0, diffString.Length);
diff.AddChild(StringDifference.Construct("Foo", "bar", "bar1"));
diffString = diff.ToString();
Assert.IsNotNull(diffString);
AssertOneLiner(diffString);
AssertContains(diffString, "AtomTypeDiff");
AssertContains(diffString, "{");
AssertContains(diffString, "}");
}
/// <summary>
/// Compare two <see cref="IChemObject"/> classes and return the difference as an <see cref="IDifference"/>.
/// </summary>
/// <param name="first">the first of the two classes to compare</param>
/// <param name="second">the second of the two classes to compare</param>
/// <returns>an <see cref="IDifference"/> representation of the difference between the first and second <see cref="IChemObject"/>.</returns>
public static IDifference Difference(IChemObject first, IChemObject second)
{
if (!(first is IIsotope && second is IIsotope))
{
return(null);
}
IIsotope firstElem = (IIsotope)first;
IIsotope secondElem = (IIsotope)second;
ChemObjectDifference totalDiff = new ChemObjectDifference("IsotopeDiff");
totalDiff.AddChild(IntegerDifference.Construct("MN", firstElem.MassNumber, secondElem.MassNumber));
totalDiff.AddChild(DoubleDifference.Construct("EM", firstElem.ExactMass, secondElem.ExactMass));
totalDiff.AddChild(DoubleDifference.Construct("AB", firstElem.Abundance,
secondElem.Abundance));
totalDiff.AddChild(ElementDiff.Difference(first, second));
if (totalDiff.ChildCount() > 0)
{
return(totalDiff);
}
else
{
return(null);
}
}
