SSAGES::Logger Class Reference

Base class for logging SSAGES data. More...

#include <Logger.h>

Inheritance diagram for SSAGES::Logger:

Public Member Functions
	Logger (uint 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< uint > &mask)
	Sets the collective variable mask.
void	SetAppend (bool append)
	Set append mode. More...
virtual	~Logger ()
	Destructor.
Public Member Functions inherited from SSAGES::EventListener
	EventListener (uint frequency)
	Constructor. More...
uint	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...

Protected Attributes
mxx::comm	world_
	Global MPI communicator.
mxx::comm	comm_
	Local MPI communicator.
std::vector< uint >	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

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

inline

Constructor.

Parameters

frequency	Frequency of logging.
world	Global MPI communicator.
comm	MPI communicator of walker.

Todo:

wid should be obtainable from somewhere.

Definition at line 68 of file Logger.h.

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

Member Function Documentation

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.

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

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

    {
        ObjectRequirement validator;
        Value schema;
        Reader reader;

        reader.parse(JsonSchema::Logger, schema);
        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";
        
        //TODO walker id should be obtainable in method as
        //     opposed to calculated like this. 
        bool ismulti = mxx::comm(world).size() > mxx::comm(comm).size(); 
        uint wid = mxx::comm(world).rank()/mxx::comm(comm).size();
        if(json["output_file"].isArray())
            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<uint> cvmask; 
        for(auto& v : json["cvs"])
        {
            if(v.isString())
            {
                auto id = CVManager::LookupCV(v.asString());
                if(id == -1)
                    throw std::invalid_argument(path + ": CV mask name \"" + v.asString() + "\" does not exist.");
                
                cvmask.push_back(CVManager::LookupCV(v.asString()));
            }
            else if(v.isIntegral() && v.asInt() >= 0)
                cvmask.push_back(v.asUInt());
            else
                throw std::invalid_argument(path + ": CV mask must contain strings or unsigned integers.");
        }
        l->SetCVMask(cvmask);

        return l;
    }

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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.

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

    {
        // Get necessary info. 
        auto cvs = cvmanager.GetCVs(cvmask_);
        if(comm_.rank() ==0)
        {
            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;
        }
    }

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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.

    {
    }

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.

References SSAGES::CVManager::GetCVs().

    {
        if(comm_.rank() == 0)
        {
            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;
            }
        }
    }

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

inline

Set append mode.

Parameters

append

Whether to enable or disable append mode.

Definition at line 110 of file Logger.h.

References append_.

        {
            append_ = append;
        }

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

• /home/cody/SSAGES/src/Loggers/Logger.h
• /home/cody/SSAGES/src/Loggers/Logger.cpp