/// <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 IAtomType && second is IAtomType))
{
return(null);
}
var firstElem = (IAtomType)first;
var secondElem = (IAtomType)second;
var totalDiff = new ChemObjectDifference("AtomTypeDiff");
totalDiff.AddChild(StringDifference.Construct("N", firstElem.AtomTypeName, secondElem.AtomTypeName));
totalDiff.AddChild(BondOrderDifference.Construct("MBO", firstElem.MaxBondOrder,
secondElem.MaxBondOrder));
totalDiff
.AddChild(DoubleDifference.Construct("BOS", firstElem.BondOrderSum, secondElem.BondOrderSum));
totalDiff
.AddChild(IntegerDifference.Construct("FC", firstElem.FormalCharge, secondElem.FormalCharge));
totalDiff.AddChild(AtomTypeHybridizationDifference.Construct("H", firstElem.Hybridization,
secondElem.Hybridization));
totalDiff.AddChild(IntegerDifference.Construct("NC", firstElem.FormalNeighbourCount,
secondElem.FormalNeighbourCount));
totalDiff.AddChild(DoubleDifference.Construct("CR", firstElem.CovalentRadius,
secondElem.CovalentRadius));
totalDiff.AddChild(IntegerDifference.Construct("V", firstElem.Valency, secondElem.Valency));
totalDiff.AddChild(IsotopeDiff.Difference(first, second));
if (totalDiff.ChildCount() > 0)
{
return(totalDiff);
}
else
{
return(null);
}
}
public void TestMatchAgainstItself()
{
var m_element1 = new Mock <IIsotope>(); IIsotope element1 = m_element1.Object;
string result = IsotopeDiff.Diff(element1, element1);
AssertZeroLength(result);
}
public void TestDifference()
{
var m_element1 = new Mock <IIsotope>(); IIsotope element1 = m_element1.Object;
var m_element2 = new Mock <IIsotope>(); IIsotope element2 = m_element2.Object;
m_element1.SetupGet(n => n.Symbol).Returns("H");
m_element2.SetupGet(n => n.Symbol).Returns("C");
IDifference difference = IsotopeDiff.Difference(element1, element2);
Assert.IsNotNull(difference);
}
public override void TestClone()
{
IIsotope iso = (IIsotope)NewChemObject();
object clone = iso.Clone();
Assert.IsTrue(clone is IIsotope);
// test that everything has been cloned properly
string diff = IsotopeDiff.Diff(iso, (IIsotope)clone);
Assert.IsNotNull(diff);
Assert.AreEqual(0, diff.Length);
}
public void TestDiff()
{
var m_element1 = new Mock <IIsotope>(); IIsotope element1 = m_element1.Object;
var m_element2 = new Mock <IIsotope>(); IIsotope element2 = m_element2.Object;
m_element1.SetupGet(n => n.Symbol).Returns("H");
m_element2.SetupGet(n => n.Symbol).Returns("C");
string result = IsotopeDiff.Diff(element1, element2);
Assert.IsNotNull(result);
Assert.AreNotSame(0, result.Length);
AssertContains(result, "IsotopeDiff");
AssertContains(result, "H/C");
}
