public static IEnumerable <string> GetAllIDs(IReactionSet set)
{
if (set.Id != null)
{
yield return(set.Id);
}
foreach (var reaction in set)
{
foreach (var e in ReactionManipulator.GetAllIDs(reaction))
{
yield return(e);
}
}
yield break;
}
/// <summary>
/// Get all ID of this IReactionSet.
/// </summary>
/// <param name="scheme">The IReactionScheme to analyze</param>
/// <returns>A List with all ID</returns>
public static IEnumerable <string> GetAllIDs(IReactionScheme scheme)
{
var IDlist = new List <string>();
if (scheme.Id != null)
{
IDlist.Add(scheme.Id);
}
foreach (var reaction in scheme.Reactions)
{
IDlist.AddRange(ReactionManipulator.GetAllIDs(reaction));
}
if (scheme.Schemes.Count != 0)
{
foreach (var rs in scheme.Schemes)
{
IDlist.AddRange(GetAllIDs(rs));
}
}
return(IDlist);
}
public void TestGetAllIDs_IReaction()
{
Reaction reaction = new Reaction()
{
Id = "r1"
};
IAtomContainer water = new AtomContainer {
Id = "m1"
};
Atom oxygen = new Atom("O")
{
Id = "a1"
};
water.Atoms.Add(oxygen);
reaction.Reactants.Add(water);
reaction.Products.Add(water);
var ids = ReactionManipulator.GetAllIDs(reaction);
Assert.IsNotNull(ids);
Assert.AreEqual(5, ids.Count());
}
