public static void PrintBootomHeader(Guid guid, long maxInterations)
{
GICO.WriteLine(guid, String.Format("MC step:{0}", GCPS.McSteps));// maxInterations * GCPS.mcStepsLoop02_LIMITE * GCPS.chain.r.Count);
GICO.WriteLine(guid, String.Format("NumberOfMovementsApplied {0}.", GCPS.chain.contMoves.NumberOfMovementsApplied.ToString()));
GICO.WriteLine(guid, String.Format("NumberOfMovementsRejected {0}.", GCPS.chain.contMoves.NumberOfMovementsRejected.ToString()));
GICO.WriteLine(guid, String.Format("SumOfAcceptedAndRejectedMovement {0}.", GCPS.chain.contMoves.SumOfAcceptedAndRejectedMovement.ToString()));
}
/// <summary>
/// Testa a existencia de um KINK apartir de uma posição do Monomero
/// </summary>
/// <param name="selectNode">Node selecionado</param>
/// <param name="posInit">Retorna por referência o ponto inicial do Kink</param>
/// <param name="posEnd">Retorna por referência o ponto final do Kink</param>
/// <returns>Retorno TRUE se o Kink existir.</returns>
internal static bool ExistKick(int selectNode, ref Structs.BasicStructs.Point posInit, ref Structs.BasicStructs.Point posEnd)
{
try
{
//Ponto Vizinho anterior do Monomero sorteado
posInit = new Structs.BasicStructs.Point()
{
x = GCPS.chain.r[selectNode - 1].x, y = GCPS.chain.r[selectNode - 1].y, z = GCPS.chain.r[selectNode - 1].z
};
//Ponto Vizinho posterior do Monomero sorteado
posEnd = new Structs.BasicStructs.Point()
{
x = GCPS.chain.r[selectNode + 1].x, y = GCPS.chain.r[selectNode + 1].y, z = GCPS.chain.r[selectNode + 1].z
};
//return (GridProteinFolding.Core.Internal.Maths4Simulation.Maths4Simulation.DistanceBetweenPointsWithSqrt(posInit, posEnd) == 1.4142135623730951);
return(Classification.Kink.IsKink(selectNode));
}
catch (System.ArgumentOutOfRangeException ex)
{
GICO.WriteLine(ex);
return(false);
}
}
public static void PrintHeader(Guid guid, long maxInterations)//, int condStop)
{
//GICO.WriteLine(guid, String.Format("Condition to Stop (topological contacts): {0}", condStop.ToString()));
//GICO.WriteLine(guid, String.Format("Max mcStepsLoop01: {0}", maxInterations.ToString()));
GICO.WriteLine(guid, String.Format("MCSteps: {0}", (maxInterations * 5 * GCPS.chain.r.Count)));
//GICO.WriteLine(guid, String.Format("Interations/Max mcStepsLoop01: {0}", GCPS.mcStepsLoop01 + @"/" + maxInterations));
lastNumber = -1;
}
public void Process()
{
GICO.WriteLine(String.Format("ETL Service: Service is up and running!"));
while (true)
{
System.Threading.Thread.Sleep(1000 * timeForConsulting);
AfterSleep();
}
}
public void PrintFormException(Exception ex)
{
ConsoleColor oldColour = Console.ForegroundColor;
GICO.ForegroundColor(ConsoleColor.Red);
GICO.WriteLine(ex);
GICO.ForegroundColor(oldColour);
new FormProtein().DisplayMessage(ex.Message.ToString());
PrintConsole(ex, true);
}
public void Do()
{
GICO.WriteLine(String.Format(" Decrypt..."));
Decrypt();
ConfigIntegrator configIntegrator = new ConfigIntegrator(param, false);
GICO.WriteLine(String.Format(" MoveFile..."));
MoveFile(ref configIntegrator);
GICO.WriteLine(String.Format(" SimulationResults..."));
SimulationResults(ref configIntegrator);
if (param.output.distribution)
{
GICO.WriteLine(String.Format(" Output: Distribution..."));
Distribution(ref configIntegrator);
}
if (param.output.evolution)
{
GICO.WriteLine(String.Format(" Output: EvolutionRadiusGyration..."));
EvolutionRadiusGyration(ref configIntegrator);
GICO.WriteLine(String.Format(" Output: EvolutionValueMediumOfEnergy..."));
EvolutionValueMediumOfEnergy(ref configIntegrator);
}
if (param.output.configuration)
{
GICO.WriteLine(String.Format(" Output: Configuration..."));
ConfigurationOutPut(ref configIntegrator);
}
//Excel
GICO.WriteLine(String.Format(" Excel..."));
Excel(param.output);
if (param.output.configuration)
{
GICO.WriteLine(String.Format(" Output: LoadConfigurationOutPutToOrigin..."));
//LoadConfigurationOutPutToOrigin(ref configIntegrator);
//ORIGIN
GICO.WriteLine(String.Format(" Origin..."));
//Origin();
}
configIntegrator = null;
return;
}
public bool Send(MailAddress to, string subject, string body)
{
SmtpSection settings = (SmtpSection)ConfigurationManager.GetSection("system.net/mailSettings/smtp");
if (settings.Network.Password == null)
{
new Exception("Key (system.net/mailSettings/smtp) not is null!");
}
System.Net.Mail.SmtpClient client = new System.Net.Mail.SmtpClient();
//client.Credentials = new NetworkCredential(settings.Network.UserName, settings.Network.Password);
client.Credentials = new NetworkCredential(settings.Network.UserName, settings.Network.Password);//CryptorEngine.Decrypt(settings.Network.Password, true));
client.Port = settings.Network.Port;
client.Host = settings.Network.Host;
client.EnableSsl = true;
try
{
MailAddress
maFrom = new MailAddress(settings.From, settings.From, Encoding.UTF8),
maTo = new MailAddress(to.Address, to.DisplayName, Encoding.UTF8);
MailMessage mmsg = new MailMessage(maFrom.Address, maTo.Address);
mmsg.Body = body;
mmsg.BodyEncoding = Encoding.UTF8;
mmsg.IsBodyHtml = true;
mmsg.Subject = subject;
mmsg.SubjectEncoding = Encoding.UTF8;
client.SendCompleted += new
SendCompletedEventHandler(SendCompletedCallback);
string userState = "SmtpClient.SendAsync";
client.SendAsync(mmsg, userState);
//client.Send(mmsg);
Console.WriteLine("Sending message....");
return(true);
}
catch (SmtpException ex)
{
GICO.WriteLine(ex);
return(false);
}
}
private bool AfterSleep()
{
bool retRun = false;
try
{
Guid[] guids = Proxy.GetGuidsToApplications();
if (guids != null)
{
foreach (Guid guid in guids)
{
ServiceParamWcf paramWCF = Proxy.GetOneProcessGuiForETL(guid);
if (paramWCF != null)
{
ConsoleColor oldColour = Console.ForegroundColor;
GICO.ForegroundColor(ConsoleColor.Yellow);
GICO.WriteLine(string.Empty);
GICO.WriteLine(String.Format("Guid running: {0}", guid.ToString()));
GICO.ForegroundColor(oldColour);
retRun = Run(paramWCF);
Proxy.SetOneProcessByGuid(paramWCF.param.dataToProcess.Guid, BasicEnums.State.ResultsProcessed);
GICO.WriteLine(String.Format("Finished Guid: {0}", guid.ToString()));
GICO.WriteLine(string.Empty);
}
}
}
return(retRun);
}
catch (EndpointNotFoundException)
{
//new CustomLog().EndpointNotFoundException(ex);
}
return(false);
}
public static void PrintPercentCompleted(Guid guid)
{
long maxInterations = GridProteinFolding.Middle.Helpers.ConfigurationHelpers.AppConfigClient.Param.dataToProcess.maxInterations;
if (GCPS.mcStepsLoop01 != 0)
{
double percent = GCPS.mcStepsLoop01;
percent = ((percent * 100) / maxInterations);
int value = Convert.ToInt32(percent.ToString("00.##").Substring(0, 2));
switch (value)
{
case 10:
case 20:
case 30:
case 40:
case 50:
case 60:
case 70:
case 80:
case 90:
case 100:
if (lastNumber < value)
{
lastNumber = value;
GICO.WriteLine(guid, lastNumber + "%.. ");
// IO.Stream.StreamRecBlob(Marshalling.WriteToBinaryFile<Simulation>(string.Empty, GCPS.chain., false));
}
break;
}
}
else
{
GICO.WriteLine(guid, "0%.. ");
}
}
/// <summary>
/// Aplica TEMPO de passo em MONTE CARLO!
/// </summary>
public static bool Run()
{
LatticeMoves objLatticeMoves = new LatticeMoves();
InitVariables.Do();
#region Criação Movimentação MoveSet
StateControl.condStop = (GCPS.chain.r.Count + 1) * 2;
StateControl.maxInterations = AppConfigClient.Param.dataToProcess.maxInterations; //numero maximo de tentativas
StateControl.recPathEvery = 0;
PrinterMessages.PrintHeader(AppConfigClient.CurrentGuid, StateControl.maxInterations);//, StateControl.condStop);
//Salva a primeira configuração do monomero
Recorder.RecTrajectoryFile(objLatticeMoves, AppConfigClient.Param.dataToProcess.splitFileEvery, true);
//Salva snapshot calculo da "variação de energia" e salva em arquivo o valor de "U"
CalculatingEnergy.existFileForSaveDebug = false;
CalculatingEnergy.SaveValueOfDebugFile();
int maxValConTop = 0;
DateTime startDateTime = DateTime.Now;
Console.WriteLine("Start: {0}", startDateTime.ToString());
for (GCPS.mcStepsLoop01 = 0; GCPS.mcStepsLoop01 < StateControl.maxInterations; GCPS.mcStepsLoop01++)
{
//PRINT %
PrinterMessages.PrintPercentCompleted(AppConfigClient.CurrentGuid);
for (GCPS.mcStepsLoop02 = 0; GCPS.mcStepsLoop02 < GCPS.mcStepsLoop02_LIMITE; GCPS.mcStepsLoop02++) //loop externo de 5 passos
{
for (GCPS.mcStepsLoop03 = 0; GCPS.mcStepsLoop03 < GCPS.chain.r.Count; GCPS.mcStepsLoop03++) //loop para tamanha da cadeia
{
GCPS.chain.CopyToTempMonomero();
//Sorteiro o residuo para a tentativa de movimento
LatticeMoves.SortMoviment();
//var occuredMotion armazena o boleano da ocorrência de movimentos dos três (3) tipos abaixo:
bool occuredMotion = objLatticeMoves.LatticeTryModeSetCrankshaft();
if (!occuredMotion)
{
occuredMotion = objLatticeMoves.LatticeTryModeSetEnds();
if (!occuredMotion)
{
occuredMotion = objLatticeMoves.LatticeTryModeSetKink();
if (!occuredMotion)
{
GCPS.chain.contMoves.othersReject++;
}
}
}
//Verifica se ocorreu um movimento na cadeia temporária
if (occuredMotion)
{
//Excluir valores energia (e) anterior se existentes ao node
//CalculatingEnergy.DelEnergy(GCPS.tempMonomero.selectNode);
//Rotina executa: Processa calculo da "variação de energia" e salva em arquivo o valor de "U" Reclassifica a cadeia TEMPORARIA
//GCPS.tempMonomero.NeighborsUpdatePeerPoint(GCPS.tempMonomero.selectNode);
//Reclassifica TODA A CADEIA
GCPS.tempChain.NeighborsUpdateAll();
#region
//Condição de Teste:
//(1) deltaE <=0 -> "Aceita a nova configuração"
//(2) deltaE >0 -> Então
// - Calcula e^-deltaE*beta (calcE)
// - Gerar um número randôico (r) entre 0 e 1
// Se r<=calcE então "Aceita a nova configuração"
// Senão "Rejeita a nova configuração"
#endregion
//Efetua calcula das varívais do meio ambiente (deltaE, lastR e lastTransitionProbability, RG, DPP e etc)
Structs.Environment.CalculateEnvironment();
if (AcceptMove())
{
//Salva classificaca da cadeia
GCPS.tempChain.NeighborsSave(GCPS.chain.isem, ref GCPS.chain.numberNeighborTopological);
//Aceita o movimento
GCPS.chain.AcceptMotion();
if (GCPS.chain.ECount() != (GCPS.chain.TotalNeighborTopological() / 2))
{
new GridProteinFolding.Middle.Helpers.LoggingHelpers.Log().ErrorNeighborTopological(new ErrorNeighborTopological("GCPS.chain.ECount() != (GCPS.chain.TotalNeighborTopological() / 2"), Types.ErrorLevel.Warning);
}
//Snapshot(ref objLatticeMoves);
//REC
if (GCPS.chain.numberNeighborTopological >= (GCPS.chain.r.Count - 1))
{
FoundData(startDateTime);
Snapshot(ref objLatticeMoves);
}
//Condição de parada
if (GCPS.chain.numberNeighborTopological >= (GCPS.chain.r.Count))
{
FoundData(startDateTime);
Snapshot(ref objLatticeMoves);
if (Structs.Environment.rg == 1.41)
{
break;
}
}
else
{
if (maxValConTop < GCPS.chain.numberNeighborTopological)
{
maxValConTop = GCPS.chain.numberNeighborTopological;
FoundData(startDateTime);
}
}
}
GCPS.chain.interationEnergy = string.Empty;
GCPS.chain.typeOfLattice = BasicEnums.Lattices.None;
//Se movimento ocorreu, é necessário pré qualificar novamente toda a cadeia
ClassificationMotion.PreClassificationOfMotion();
if (StateControl.condStop == GCPS.chain.TotalNeighborTopological())
{
break;
}
}
GCPS.McStepsDo();
}
}
}
//Salva o movimento da cadeia
Recorder.RecTrajectoryFileCalcSpinningRay(AppConfigClient.CurrentGuid, StateControl.maxInterations, objLatticeMoves);
GICO.WriteLine(AppConfigClient.CurrentGuid, String.Format("MCSteps: {0}", GCPS.McSteps));
//Check Parse do ultimo arquivo valido
if (!LatticeMoves.Parse())
{
new GridProteinFolding.Middle.Helpers.LoggingHelpers.Log().ErroParseMoves(new ErroParseMovesException("ErroParseMoves"), Types.ErrorLevel.None);
}
//MoveSet de saída do movimento do ultimo arquivo valido
Recorder.RecTrajectoryFile(objLatticeMoves, AppConfigClient.Param.dataToProcess.splitFileEvery);
//MoveSet (RESULT)
objLatticeMoves.RecMoveSet(AppConfigClient.CurrentGuid, SimulationResults + Directory.FileExtension);
objLatticeMoves.Disposed();
objLatticeMoves = null;
#endregion
return(true);
}
/// <summary>
/// Aplica TEMPO de passo em MONTE CARLO!
/// </summary>
public static bool Run()
{
LatticeMoves objLatticeMoves = new LatticeMoves();
InitVariables.Do();
#region Criação Movimentação MoveSet
//StateControl.condStop = (GCPS.chain.r.Count + 1) * 2;
StateControl.maxInterations = AppConfigClient.Param.dataToProcess.maxInterations; //numero maximo de tentativas
StateControl.recPathEvery = 0;
PrinterMessages.PrintHeader(AppConfigClient.CurrentGuid, StateControl.maxInterations);//, StateControl.condStop);
//Salva a primeira configuração do monomero
Recorder.RecTrajectoryFile(objLatticeMoves, AppConfigClient.Param.dataToProcess.splitFileEvery, true);
//Salva snapshot calculo da "variação de energia" e salva em arquivo o valor de "U"
CalculatingEnergy.existFileForSaveDebug = false;
CalculatingEnergy.SaveValueOfDebugFile();
//int maxValConTop = 0;
bool stoped = false;
DateTime startDateTime = DateTime.Now;
Console.WriteLine("Start: {0}", startDateTime.ToString());
while (!stoped)
{
GCPS.chain.CopyToTempMonomero();
//Sorteiro o residuo para a tentativa de movimento
LatticeMoves.SortMoviment();
//var occuredMotion armazena o boleano da ocorrência de movimentos dos três (3) tipos abaixo:
bool occuredMotion = objLatticeMoves.LatticeTryModeSetCrankshaft();
if (!occuredMotion)
{
occuredMotion = objLatticeMoves.LatticeTryModeSetEnds();
if (!occuredMotion)
{
occuredMotion = objLatticeMoves.LatticeTryModeSetKink();
if (!occuredMotion)
{
GCPS.chain.contMoves.othersReject++;
}
}
}
//Verifica se ocorreu um movimento na cadeia temporária
if (occuredMotion)
{
//Reclassifica TODA A CADEIA
GCPS.tempChain.NeighborsUpdateAll();
//Efetua calcula das varívais do meio ambiente (deltaE, lastR e lastTransitionProbability, RG, DPP e etc)
Structs.Environment.CalculateEnvironment();
if (AcceptMove())
{
//Salva classificaca da cadeia
GCPS.tempChain.NeighborsSave(GCPS.chain.isem, ref GCPS.chain.numberNeighborTopological);
//Aceita o movimento
GCPS.chain.AcceptMotion();
if (GCPS.chain.ECount() != (GCPS.chain.TotalNeighborTopological() / 2))
{
new GridProteinFolding.Middle.Helpers.LoggingHelpers.Log().ErrorNeighborTopological(new ErrorNeighborTopological("GCPS.chain.ECount() != (GCPS.chain.TotalNeighborTopological() / 2"), Types.ErrorLevel.Warning);
}
//Condição de parada
if (GCPS.chain.numberNeighborTopological >= (GCPS.chain.r.Count))
{
FoundData(startDateTime);
Snapshot(ref objLatticeMoves);
if (CheckStruct())
{
stoped = true;
}
}
}
GCPS.chain.interationEnergy = string.Empty;
GCPS.chain.typeOfLattice = BasicEnums.Lattices.None;
//Se movimento ocorreu, é necessário pré qualificar novamente toda a cadeia
ClassificationMotion.PreClassificationOfMotion();
}
GCPS.McStepsDo();
}
//Salva o movimento da cadeia
Recorder.RecTrajectoryFileCalcSpinningRay(AppConfigClient.CurrentGuid, StateControl.maxInterations, objLatticeMoves);
GICO.WriteLine(AppConfigClient.CurrentGuid, String.Format("MCSteps: {0}", GCPS.McSteps));
//Check Parse do ultimo arquivo valido
if (!LatticeMoves.Parse())
{
new GridProteinFolding.Middle.Helpers.LoggingHelpers.Log().ErroParseMoves(new ErroParseMovesException("ErroParseMoves"), Types.ErrorLevel.None);
}
//MoveSet de saída do movimento do ultimo arquivo valido
Recorder.RecTrajectoryFile(objLatticeMoves, AppConfigClient.Param.dataToProcess.splitFileEvery);
//MoveSet (RESULT)
objLatticeMoves.RecMoveSet(AppConfigClient.CurrentGuid, SimulationResults + Directory.FileExtension);
//Compara estruturas com as TARGETS
//ComparerTargets(GCPS.chain.r);
#endregion
//MoveSet de saída do movimento para SANDBOX
Recorder.RecTrajectoryFileSandBox(objLatticeMoves);
objLatticeMoves.Disposed();
objLatticeMoves = null;
return(true);
}
static void Main(string[] args)
{
//Check Folders
GridProteinFolding.WCF.ServiceDistributed.Service.CheckWorkFolders();
//Run Hosts
ServiceHost hostService = new ServiceHost(typeof(Service));
ServiceHost hostDocumentManagment = new ServiceHost(typeof(DocumentManagment));
//ServiceHost hostGeneratingResults = new ServiceHost(typeof(GeneratingResults));
try
{
#region hostService
hostService.Open();
ServiceDescription serviceDesciption = hostService.Description;
foreach (ServiceEndpoint endpoint in serviceDesciption.Endpoints)
{
ConsoleColor oldColour = Console.ForegroundColor;
GICO.ForegroundColor(ConsoleColor.Red);
GICO.WriteLine(ExtendedString.Format("Endpoint - address: {0}", endpoint.Address));
GICO.WriteLine(ExtendedString.Format(" - binding name:\t\t{0}", endpoint.Binding.Name));
GICO.WriteLine(ExtendedString.Format(" - contract name:\t\t{0}", endpoint.Contract.Name));
GICO.ForegroundColor(oldColour);
}
#endregion
#region hostDocumentManagment
hostDocumentManagment.Open();
serviceDesciption = hostDocumentManagment.Description;
foreach (ServiceEndpoint endpoint in serviceDesciption.Endpoints)
{
ConsoleColor oldColour = Console.ForegroundColor;
GICO.ForegroundColor(ConsoleColor.Red);
GICO.WriteLine(ExtendedString.Format("Endpoint - address: {0}", endpoint.Address));
GICO.WriteLine(ExtendedString.Format(" - binding name:\t\t{0}", endpoint.Binding.Name));
GICO.WriteLine(ExtendedString.Format(" - contract name:\t\t{0}", endpoint.Contract.Name));
GICO.WriteLine();
GICO.ForegroundColor(oldColour);
}
#endregion
//#region hostGeneratingResults
//hostGeneratingResults.Open();
//serviceDesciption = hostGeneratingResults.Description;
//foreach (ServiceEndpoint endpoint in serviceDesciption.Endpoints)
//{
// ConsoleColor oldColour = Console.ForegroundColor;
// GICO.ForegroundColor(ConsoleColor.Red);
// GICO.WriteLine(String.Format("Endpoint - address: {0}", endpoint.Address));
// GICO.WriteLine(String.Format(" - binding name:\t\t{0}", endpoint.Binding.Name));
// GICO.WriteLine(String.Format(" - contract name:\t\t{0}", endpoint.Contract.Name));
// GICO.WriteLine();
// GICO.ForegroundColor(oldColour);
//}
//#endregion
GICO.WriteLine("Service Distributed: Service is up and running!");
GICO.WriteLine();
ConsoleKeyInfo key;
Console.WriteLine("Press the Escape (Esc) key to quit: \n");
do
{
key = Console.ReadKey();
} while (key.Key != ConsoleKey.Escape);
}
catch (Exception ex)
{
GICO.WriteLine(ex.Message.ToString());
GICO.WriteLine(ex.InnerException.ToString());
Console.ReadKey();
}
finally
{
if (hostService.State != CommunicationState.Closed && hostService.State != CommunicationState.Faulted)
{
hostService.Close();
}
hostService = null;
if (hostDocumentManagment.State != CommunicationState.Closed && hostDocumentManagment.State != CommunicationState.Faulted)
{
hostDocumentManagment.Close();
}
hostDocumentManagment = null;
}
}
