private void timerSave_Tick(object sender, EventArgs e)
{
if (!SavingDataBase)
{
SavingDataBase = true;
MoleculeGraph molecule = null;
Molecule saved = null;
try
{
if (ResultQueue.Count > 0)
{
lock (queueObjectLock)
{
molecule = ResultQueue.Dequeue();
ShowQueueDataSource();
}
if (molecule != null && _moleculeService.GetByIdStructure(molecule.Nomenclature, molecule.IdStructure) == null)
{
if (!string.IsNullOrEmpty(molecule.IdStructure))
{
saved = _moleculeService.Create(molecule);
}
var emptyMolecule = _moleculeService.GetByIdStructure(molecule.Nomenclature, null);
if (emptyMolecule != null && _moleculeService.GetNotEmptyMoleculeCount(molecule.Nomenclature) > 0)
{
_moleculeService.Delete(emptyMolecule);
}
}
if (saved != null)
{
SearchCount++;
DatabaseCount++;
}
}
DatabaseCount = _moleculeService.GetMoleculeCount();
}
catch (Exception)
{
lock (queueObjectLock)
{
if (molecule != null && saved == null)
{
ResultQueue.Enqueue(molecule);
}
ShowQueueDataSource();
}
}
finally
{
SavingDataBase = false;
}
}
}
public void InitializePopulation()
{
ResultList = new Queue <MoleculeGraph>();
Population = new List <SGChromosome>(_populationSize);
Atoms = MoleculeGraph.ExtractAtomsFromNomenclature(Target);
if (Atoms.Count > 1)
{
for (int i = 0; i < _populationSize; i++)
{
Population.Add(new SGChromosome(new MoleculeGraph(Target, Atoms)));
}
}
}
private void StartSearch()
{
try
{
CancelSearch();
ClearCharts();
var populationSize = Int32.Parse(this.txtPopulationSize.Text);
var maxGenerations = Int32.Parse(this.txtMaxGenerations.Text);
var mutationRate = Double.Parse(this.txtMutationRate.Text);
var nomenclature = this.txtNomenclature.Text;
StartTimer();
this.searchThread = new Thread(() =>
{
SetStatus("Iniciando população...");
ga = new StructureGenerator(nomenclature, populationSize, maxGenerations, mutationRate);
StartWatchers();
SetStatus("Procurando estrutura molecular...");
MoleculeGraph molecule = ga.FindSolution();
SetDataSource(gridResult, molecule.LinkEdges.Select(x => new
{
From = x.From.ToString(),
To = x.To.ToString()
}).ToList());
SetStatus("Fim!");
});
searchThread.Start();
new Task(() =>
{
while (searchThread != null && searchThread.IsAlive)
{
Thread.Sleep(500);
}
SetEnabled(btnCancel, false);
SetEnabled(btnSearch, true);
timer1.Enabled = false;
}).Start();
}
catch (Exception ex)
{
MessageBox.Show("Erro: " + ex.Message);
}
}
public Molecule GetCollectionFromGraph(MoleculeGraph molecule)
{
var collection = new Molecule();
if (molecule.AtomNodes != null && molecule.AtomNodes.Count > 0)
{
collection.AtomsCount = molecule.AtomNodes.Count;
collection.DiferentAtomsCount = molecule.AtomNodes.GroupBy(x => x.Symbol).Count();
collection.SimpleAtoms = string.Join(",", molecule.AtomNodes.Select(x => x.ToString()).ToList());
collection.Atoms = molecule.AtomNodes.Select(x => _atomService.GetCollectionFromNode(x)).ToList();
}
if (molecule.LinkEdges != null && molecule.LinkEdges.Count > 0)
{
collection.SimpleLinks = string.Join(",", molecule.LinkEdges.Select(x => _linkService.GetCollectionFromEdge(x)).Select(x => x.ToString()).ToList());
collection.Links = molecule.LinkEdges.Select(x => _linkService.GetCollectionFromEdge(x)).ToList();
}
collection.Nomenclature = molecule.Nomenclature;
collection.IdStructure = molecule.IdStructure;
collection.Energy = molecule.Energy;
collection.FromDataSet = molecule.FromDataSet;
return(collection);
}
public SGChromosome(MoleculeGraph molecule)
{
this.Molecule = molecule;
this.CalcFitness();
}
public Molecule Create(MoleculeGraph molecule)
{
return(_moleculeRepository.Create(GetCollectionFromGraph(molecule)));
}
