public virtual void TestClone()
{
IChemObject chemObject = NewChemObject();
//chemObject.Flag = CDKConstants.ISALIPHATIC, true;
// test cloning of itself
object clone = chemObject.Clone();
Assert.IsTrue(clone is IChemObject);
// test that everything has been cloned properly
string diff = ChemObjectDiff.Diff(chemObject, (IChemObject)clone);
Assert.IsNotNull(diff);
Assert.AreEqual(0, diff.Length);
}
/// <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 IElectronContainer && second is IElectronContainer))
{
return(null);
}
var firstEC = (IElectronContainer)first;
var secondEC = (IElectronContainer)second;
var totalDiff = new ChemObjectDifference("ElectronContainerDiff");
totalDiff.AddChild(IntegerDifference.Construct("eCount", firstEC.ElectronCount,
secondEC.ElectronCount));
totalDiff.AddChild(ChemObjectDiff.Difference(first, second));
if (totalDiff.ChildCount() > 0)
{
return(totalDiff);
}
else
{
return(null);
}
}
/// <summary>
/// Compare two <see cref="IChemObject"/> classes and return the difference as an <see cref="IDifference"/>.
///
/// <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>
/// </summary>
public static IDifference Difference(IChemObject first, IChemObject second)
{
if (!(first is IElement && second is IElement))
{
return(null);
}
var firstElem = (IElement)first;
var secondElem = (IElement)second;
var coDiff = new ChemObjectDifference("ElementDiff");
coDiff.AddChild(StringDifference.Construct("S", firstElem.Symbol, secondElem.Symbol));
coDiff.AddChild(StringDifference.Construct("ID", firstElem.Id, secondElem.Id));
coDiff.AddChild(IntegerDifference.Construct("AN", firstElem.AtomicNumber, secondElem.AtomicNumber));
coDiff.AddChild(ChemObjectDiff.Difference(first, second));
if (coDiff.ChildCount() > 0)
{
return(coDiff);
}
else
{
return(null);
}
}
