SSAGES::Logger Class Reference

Base class for logging SSAGES data. More...

#include <Logger.h>

Inheritance diagram for SSAGES::Logger:

Public Member Functions
	Logger (unsigned int frequency, const std::string &filename, const MPI_Comm &world, const MPI_Comm &comm)
	Constructor. More...
virtual void	PreSimulation (Snapshot *snapshot, const class CVManager &cvmanager) override
	Logger call prior to simulation initiation. More...
virtual void	PostIntegration (Snapshot *snapshot, const class CVManager &cvmanager) override
	Logger call post integration. More...
virtual void	PostSimulation (Snapshot *snapshot, const class CVManager &cvmanager) override
	Logger call post simulation. More...
void	SetCVMask (const std::vector< unsigned int > &mask)
	Sets the collective variable mask. More...
void	SetAppend (bool append)
	Set append mode. More...
virtual	~Logger ()
	Destructor.
Public Member Functions inherited from SSAGES::EventListener
	EventListener (unsigned int frequency)
	Constructor. More...
unsigned int	GetFrequency () const
	Get frequency of event listener. More...
virtual	~EventListener ()
	Destructor.

Static Public Member Functions
static Logger *	Build (const Json::Value &json, const MPI_Comm &world, const MPI_Comm &comm, const std::string &path)
	Build a Logger from JSON node. More...
Static Public Member Functions inherited from SSAGES::EventListener
static unsigned int	GetWalkerID (const MPI_Comm &world, const MPI_Comm &comm)
	Get walker ID number of specified communicator. More...
static unsigned int	GetNumWalkers (const MPI_Comm &world, const MPI_Comm &comm)
	Get total number of walkers in the simulation. More...
static bool	IsMasterRank (const MPI_Comm &comm)
	Check if current processor is master. More...

Protected Attributes
mxx::comm	world_
	Global MPI communicator.
mxx::comm	comm_
	Local MPI communicator.
std::vector< unsigned int >	cvmask_
	Mask which identifies which CVs to log.
std::string	filename_
	Name of logfile.
std::ofstream	log_
	Log file stream.
bool	append_
	Append mode?

Detailed Description

Base class for logging SSAGES data.

The base class for logging useful data in SSAGES that is not necessarily written out by methods. Primarily this includes the value(s) of the collective variable(s) on the various walkers over time, the magnitude of the bias if a method supports it, and so on.

Definition at line 41 of file Logger.h.

Constructor & Destructor Documentation

Logger()

SSAGES::Logger::Logger ( unsigned int  frequency, const std::string &  filename, const MPI_Comm &  world, const MPI_Comm &  comm  )

inline

Constructor.

Parameters

frequency	Frequency of logging.
filename	File for logging.
world	Global MPI communicator.
comm	MPI communicator of walker.

Constructs an instance of a logger.

Definition at line 69 of file Logger.h.

                                                                                                               :
        EventListener(frequency), world_(world), comm_(comm), cvmask_(), filename_(filename),
        append_(false)
        {}

Member Function Documentation

Build()

Logger * SSAGES::Logger::Build ( const Json::Value &  json, const MPI_Comm &  world, const MPI_Comm &  comm, const std::string &  path  )

static

Build a Logger from JSON node.

Parameters

json	JSON Value containing all input information.
world	MPI global communicator.
comm	MPI local communicator.
path	Path for JSON path specification.

Returns

Pointer to the Logger built. nullptr if an unknown error occurred.

Note

Object lifetime is the caller's responsibility.

Definition at line 75 of file Logger.cpp.

    {
        ObjectRequirement validator;
        Value schema;
        CharReaderBuilder rbuilder;
        CharReader* reader = rbuilder.newCharReader();
 
        reader->parse(JsonSchema::Logger.c_str(),
                      JsonSchema::Logger.c_str() + JsonSchema::Logger.size(),
                      &schema, nullptr);
        validator.Parse(schema, path);
 
        // Validate inputs.
        validator.Validate(json, path);
        if(validator.HasErrors())
            throw BuildException(validator.GetErrors());
 
        auto freq = json.get("frequency", 1).asInt();
        std::string name = "cvlog.dat";
 
        bool ismulti = GetNumWalkers(world, comm) > 1;
        unsigned int wid = GetWalkerID(world, comm);
 
        if(json["output_file"].isArray())
        {
            if(json["output_file"].size() != GetNumWalkers(world, comm))
            {
                throw BuildException({path + ": Multi-walker simulations require a separate output file for each walker."});
            }
            name = json["output_file"][wid].asString();
        }
        else if(ismulti)
            throw std::invalid_argument(path + ": Multi-walker simulations require a separate output file for each.");
        else
            name = json["output_file"].asString();
 
        auto* l = new Logger(freq, name, world, comm);
        l->SetAppend(json.get("append", false).asBool());
 
        // Load CV mask.
        std::vector<unsigned int> cvmask;
        for(auto& cv : json["cvs"])
        {
            cvmask.push_back(CVManager::LookupCV(cv, path));
        }
        l->SetCVMask(cvmask);
 
        return l;
    }

References Json::Requirement::GetErrors(), Json::Requirement::HasErrors(), Json::ObjectRequirement::Parse(), and Json::ObjectRequirement::Validate().

Referenced by SSAGES::ResourceHandler::Build().

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PostIntegration()

void SSAGES::Logger::PostIntegration ( Snapshot *  snapshot, const class CVManager &  cvmanager  )

overridevirtual

Logger call post integration.

Parameters

snapshot	Pointer to the simulation snapshot.
cvmanager	Collective variable manager.

This function will be called after each integration step.

Implements SSAGES::EventListener.

Definition at line 55 of file Logger.cpp.

    {
        // Get necessary info. 
        auto cvs = cvmanager.GetCVs(cvmask_);
        if(IsMasterRank(comm_))
        {
            log_.precision(8);
            log_ << snapshot->GetIteration() << " ";
 
            // Print out CV values.
            for(size_t i = 0; i < cvs.size() - 1; ++i)
                log_ << cvs[i]->GetValue() << " ";
            log_ << cvs.back()->GetValue() << std::endl;
        }
    }

References SSAGES::CVManager::GetCVs(), and SSAGES::Snapshot::GetIteration().

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PostSimulation()

void SSAGES::Logger::PostSimulation ( Snapshot *  snapshot, const class CVManager &  cvmanager  )

overridevirtual

Logger call post simulation.

Parameters

snapshot	Pointer to the simulation snapshot.
cvmanager	Collective variable manager.

This function will be called after the end of the simulation run.

Implements SSAGES::EventListener.

Definition at line 71 of file Logger.cpp.

    {
    }

PreSimulation()

void SSAGES::Logger::PreSimulation ( Snapshot *  snapshot, const class CVManager &  cvmanager  )

overridevirtual

Logger call prior to simulation initiation.

Parameters

snapshot	Pointer to the simulation snapshot.
cvmanager	Collective variable manager.

This function will be called before the simulation is started.

Implements SSAGES::EventListener.

Definition at line 34 of file Logger.cpp.

    {
        if(IsMasterRank(comm_))
        {
            if(append_)
                log_.open(filename_.c_str(), std::ofstream::out | std::ofstream::app);
            else
            {
                // Write out header.
                log_.open(filename_.c_str(), std::ofstream::out);
                log_ << "#"; 
                log_ << "Iteration "; 
 
                auto cvs = cvmanager.GetCVs(cvmask_);
                for(size_t i = 0; i < cvs.size() - 1; ++i)
                    log_ << "cv_" + std::to_string(i) << " ";
                log_ << "cv_" + std::to_string(cvs.size() - 1) << std::endl;
            }
        }
    }

References SSAGES::CVManager::GetCVs().

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SetAppend()

void SSAGES::Logger::SetAppend ( bool  append )

inline

Set append mode.

Parameters

append

Whether to enable or disable append mode.

Definition at line 112 of file Logger.h.

        {
            append_ = append;
        }

References append_.

SetCVMask()

void SSAGES::Logger::SetCVMask ( const std::vector< unsigned int > &  mask )

inline

Sets the collective variable mask.

Sets the collective variable mask.

Parameters

mask	Vector mask which contains the indices of which CV to include in the container.

This function sets the Snapshot's CV mask.

Definition at line 103 of file Logger.h.

        {
            cvmask_ = mask;
        }

References cvmask_.

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The documentation for this class was generated from the following files:

• /home/michael/development/SSAGES/src/Loggers/Logger.h
• /home/michael/development/SSAGES/src/Loggers/Logger.cpp