/// <summary>
/// Clusters features based on their pairwise distances by finding the minimal spanning tree (MST) via Prim's algorithm.
/// </summary>
/// <param name="distances">Pairwise distances between all features in question.</param>
/// <param name="clusters">Singleton clusters from each feature.</param>
/// <returns>List of features clustered together.</returns>
public override List <U> LinkFeatures(List <Data.PairwiseDistance <T> > potentialDistances, Dictionary <int, U> clusters)
{
var newClusters = new List <U>();
var distances = new List <Data.PairwiseDistance <T> >();
// There is an edge case with this setup that a singleton outside of the range
// of other features made it into the batch of edges, but there is no corresponding edge
// to the rest of the graph(s). So here we hash all features
// then we ask for within the range, pare down that hash to a set of features that
// have no corresponding edge. These guys would ultimately be singletons we want
// to capture...
var clusterMap = new HashSet <T>();
foreach (var cluster in clusters.Values)
{
foreach (var feature in cluster.Features)
{
if (!clusterMap.Contains(feature))
{
clusterMap.Add(feature);
}
}
}
foreach (var distance in potentialDistances)
{
if (AreClustersWithinTolerance(distance.FeatureX, distance.FeatureY))
{
//distances.Add(distance);
if (clusterMap.Contains(distance.FeatureX))
{
clusterMap.Remove(distance.FeatureX);
}
if (clusterMap.Contains(distance.FeatureY))
{
clusterMap.Remove(distance.FeatureY);
}
}
}
// Once we have removed any cluster
foreach (var feature in clusterMap)
{
var cluster = new U();
feature.SetParentFeature(cluster);
cluster.AddChildFeature(feature);
newClusters.Add(cluster);
}
var newDistances = (from element in potentialDistances
orderby element.Distance
select element).ToList();
var queue = new Queue <Edge <T> >();
var graph = new FeatureGraph <T>();
// Sort out the distances so we dont have to recalculate distances.
var id = 0;
var edges = new List <Edge <T> >();
newDistances.ForEach(x => edges.Add(new Edge <T>(id++,
x.Distance,
x.FeatureX,
x.FeatureY)));
graph.CreateGraph(edges);
edges.ForEach(x => queue.Enqueue(x));
// This makes sure we have
var seenEdge = new HashSet <int>();
// Now we start at the MST building
if (DumpLinearRelationship)
{
Console.WriteLine("GraphEdgeLength");
}
while (queue.Count > 0)
{
var startEdge = queue.Dequeue();
// If we have already seen the edge, ignore it...
if (seenEdge.Contains(startEdge.ID))
{
continue;
}
var mstGroup = ConstructSubTree(graph,
seenEdge,
startEdge);
var clusterTree = new MstLrTree <Edge <T> >();
// Get the mst value .
double sum = 0;
double mean = 0;
foreach (var dist in mstGroup.LinearRelationship)
{
seenEdge.Add(dist.ID);
sum += dist.Length;
clusterTree.Insert(dist);
var ppmDist = FeatureLight.ComputeMassPPMDifference(dist.VertexB.MassMonoisotopicAligned,
dist.VertexA.MassMonoisotopicAligned);
if (DumpLinearRelationship)
{
Console.WriteLine("{0}", dist.Length); /*,,{1},{2},{3},{4},{5},{6},{7},{8}", dist.Length,
* dist.VertexA.NetAligned,
* dist.VertexA.MassMonoisotopicAligned,
* dist.VertexA.DriftTime,
* dist.VertexB.NetAligned,
* dist.VertexB.MassMonoisotopicAligned,
* dist.VertexB.DriftTime,
* ppmDist,
* Math.Abs(dist.VertexA.NetAligned - dist.VertexB.NetAligned));
*/
}
}
var N = Convert.ToDouble(mstGroup.LinearRelationship.Count);
// Calculate the standard deviation.
mean = sum / N;
sum = 0;
foreach (var dist in mstGroup.LinearRelationship)
{
var diff = dist.Length - mean;
sum += (diff * diff);
}
var stdev = Math.Sqrt(sum / N);
var cutoff = NSigma; // *stdev; // stdev* NSigma;
var mstClusters = CreateClusters(mstGroup, cutoff);
newClusters.AddRange(mstClusters);
}
return(newClusters);
}
/// <summary>
/// constructs a sub-tree
/// </summary>
/// <param name="graph"></param>
/// <param name="visitedEdges"></param>
/// <param name="startEdge"></param>
/// <returns></returns>
private MinimumSpanningTree <T> ConstructSubTree(FeatureGraph <T> graph,
HashSet <int> visitedEdges,
Edge <T> startEdge)
{
// Manages the tree being constructed.
var tree = new MinimumSpanningTree <T>();
// Manages the list of candidate edges
var tempEdges = new UniqueEdgeList <T>();
// Seed of the breadth first search (BFS)
tempEdges.AddEdge(startEdge);
// Start BFS
while (tempEdges.Count > 0)
{
// Sort the edges based on distace.
tempEdges.Sort();
Edge <T> shortestEdge = null;
var edgesToRemove = new List <Edge <T> >();
// Find the shortest edge...
foreach (var edge in tempEdges.Edges)
{
var edgeSeen = tree.HasEdgeBeenSeen(edge);
var vertexSeen = tree.HasEdgeVerticesBeenSeen(edge);
// Make sure that we havent seen this edge.
if (edgeSeen)
{
continue;
}
if (vertexSeen)
{
visitedEdges.Add(edge.ID);
edgesToRemove.Add(edge);
continue;
}
shortestEdge = edge;
tree.AddEdge(shortestEdge);
break;
}
// Remove any edges that have been used up..
edgesToRemove.ForEach(x => tempEdges.RemoveEdge(x));
edgesToRemove.ForEach(x => graph.RemoveEdge(x));
// We didnt find an edge, so we have nothing else to connect...
if (shortestEdge == null)
{
// Make sure that we assert that there are no edges left...should be the case here!
System.Diagnostics.Debug.Assert(tempEdges.Count == 0);
break;
}
visitedEdges.Add(shortestEdge.ID);
// Removes the shortest edge from the graph...
graph.RemoveEdge(shortestEdge);
var adjacentEdges = graph.GetAdjacentEdgesFromEdgeVertices(shortestEdge);
//adjacentEdges.Sort();
tempEdges.AddEdges(adjacentEdges.Edges);
// Remove the shortest edge from the list of available edges left...
tempEdges.RemoveEdge(shortestEdge);
}
return(tree);
}