public void ImperfectArbitaryMatching()
{
Matching matching = Matching.WithCapacity(5);
BitArray subset = new BitArray(5);
BitArrays.Flip(subset, 0, 5);
Assert.IsFalse(matching.ArbitaryMatching(new int[][] { new[] { 1 }, new[] { 0, 2 }, new[] { 1, 3 }, new[] { 2, 4 }, new[] { 3 } }, subset));
}
public void PerfectArbitaryMatching()
{
Matching matching = Matching.WithCapacity(4);
BitArray subset = new BitArray(4);
BitArrays.Flip(subset, 0, 4);
Assert.IsTrue(matching.ArbitaryMatching(new int[][] { new[] { 1 }, new[] { 0, 2 }, new[] { 1, 3 }, new[] { 2 } }, subset));
}
public void Fulvelene1()
{
int[][] graph = GraphUtil.ToAdjList(smipar.ParseSmiles("c1cccc1c1cccc1"));
Matching m = Matching.WithCapacity(graph.Length);
BitArray subset = new BitArray(graph.Length);
BitArrays.Flip(subset, 0, graph.Length);
// arbitary matching will assign a perfect matching here
Assert.IsTrue(m.ArbitaryMatching(graph, subset));
}
/// <summary>
/// Create a new multiple stereo encoder from a single list of encoders
/// </summary>
public MultiStereoEncoder(IList <IStereoEncoder> encoders)
{
if (encoders.Count == 0)
{
throw new ArgumentException("no stereo encoders provided");
}
this.encoders = new List <IStereoEncoder>(encoders);
this.unconfigured = new BitArray(encoders.Count);
BitArrays.Flip(unconfigured, encoders.Count);
}
public void Fulvelene2()
{
int[][] graph = GraphUtil.ToAdjList(smipar.ParseSmiles("c1cccc1c1cccc1"));
Matching m = Matching.WithCapacity(graph.Length);
BitArray subset = new BitArray(graph.Length);
BitArrays.Flip(subset, 0, graph.Length);
// induced match - can't be perfected without removing this match
m.Match(1, 2);
// arbitary matching will not be able assign a perfect matching
Assert.IsFalse(m.ArbitaryMatching(graph, subset));
// but Perfect() will
Assert.IsTrue(m.Perfect(graph, subset));
}
private Matching CreateMatching(IAtomContainer container, params int[] xs)
{
BitArray subset = new BitArray(container.Atoms.Count);
if (xs.Length == 0)
{
BitArrays.Flip(subset, 0, container.Atoms.Count);
}
else
{
foreach (var x in xs)
{
subset.Set(x, true);
}
}
Matching m = Matching.WithCapacity(container.Atoms.Count);
return(EdmondsMaximumMatching.Maxamise(m, GraphUtil.ToAdjList(container), subset));
}