protected override void Run()
{
Console.WriteLine("Fall 2019 One Drive New Mac Matt....");
for (var r = 0; r < NUM_RUNS; r++)
{
Dictionary <string, int> MolSet = new Dictionary <string, int>();
for (var s = 0; s < GEN_SET_SIZE; s++)
{
var cand = GenerateCand();
var atomNum = Evaluation.CountAtoms(cand);
var smi = OBFunctions.moltoSMILES(OBFunctions.designgraphtomol(cand.graph));
if (!MolSet.ContainsKey(smi))
{
MolSet.Add(smi, atomNum);
}
Console.WriteLine("Candidate Found {0}", smi);
Console.WriteLine("Candidate moment {0}", string.Join(", ", Evaluation.CalcMoment(cand)));
}
for (var e = 0; e < NUM_EPOCH; e++)
{
Console.WriteLine("Epoch: {0}", e);
var cand = GenerateCand();
var atomNum = Evaluation.CountAtoms(cand);
var smi = OBFunctions.moltoSMILES(OBFunctions.designgraphtomol(cand.graph));
Console.WriteLine(smi);
if (!MolSet.ContainsKey(smi))
{
MolSet.Add(smi, atomNum);
}
writer.Write("{0} ", MolSet.Values.ToList().Max());
}
writer.WriteLine();
}
writer.Close();
}