/// <summary>
/// Returns a List of all IChemObject inside a ChemFile.
/// </summary>
/// <returns>A list of all ChemObjects</returns>
public static IEnumerable <IChemObject> GetAllChemObjects(IChemFile file)
{
//list.Add(file); // should not add the original file
foreach (var sequence in file)
{
yield return(sequence);
foreach (var o in ChemSequenceManipulator.GetAllChemObjects(sequence))
{
yield return(o);
}
}
yield break;
}
public void TestGetAllChemObjects_IChemSequence()
{
var list = ChemSequenceManipulator.GetAllChemObjects(chemSequence);
int molCount = 0;
int molSetCount = 0;
int reactionCount = 0;
int reactionSetCount = 0;
int chemModelCount = 0;
foreach (var o in list)
{
//if (o is IAtom) ++atomCount;
//if (o is IBond) ++bondCount;
if (o is IAtomContainer)
{
++molCount;
}
else if (o is IChemObjectSet <IAtomContainer> )
{
++molSetCount;
}
else if (o is IReaction)
{
++reactionCount;
}
else if (o is IReactionSet)
{
++reactionSetCount;
}
else if (o is IChemModel)
{
++chemModelCount;
}
else
{
Assert.Fail("Unexpected Object of type " + o.GetType());
}
}
//Assert.AreEqual(3, atomCount);
//Assert.AreEqual(1, bondCount);
Assert.AreEqual(2, molCount);
Assert.AreEqual(1, molSetCount);
Assert.AreEqual(1, reactionCount);
Assert.AreEqual(1, reactionSetCount);
Assert.AreEqual(2, chemModelCount);
}