public void Compute(ProteinGraph graph)
{
Graph = graph;
foreach (var node in graph.Nodes)
{
var totalHydrophobicity = Hydrophobicity.GetHydrophobicity(node.Data.Residue.Code);
foreach (var neighbour in node.Neighbours)
{
totalHydrophobicity += Hydrophobicity.GetHydrophobicity(neighbour.Data.Residue.Code);
}
totalHydrophobicity /= (node.Neighbours.Count() + 1);
logic.Values.Add(node.Data.Residue, (totalHydrophobicity + maxEntry) / (2 * maxEntry));
}
}
public void Compute(ProteinGraph graph, IDictionary <Residue, double> rasaValues)
{
Graph = graph;
foreach (var node in graph.Nodes)
{
var rasasum = rasaValues[node.Data.Residue];
var totalHydrophobicity = Hydrophobicity.GetHydrophobicity(node.Data.Residue.Code) * rasaValues[node.Data.Residue];
foreach (var neighbour in node.Neighbours)
{
rasasum += rasaValues[neighbour.Data.Residue];
totalHydrophobicity += Hydrophobicity.GetHydrophobicity(neighbour.Data.Residue.Code) * rasaValues[neighbour.Data.Residue];
}
totalHydrophobicity /= rasasum;
logic.Values.Add(node.Data.Residue, (totalHydrophobicity + maxEntry) / (2 * maxEntry));
}
}