MettDeamonFeedrateDirector.h

//Calculation of the Fluid Wall interaction by a function
 
#ifndef METTDEAMON_FEEDRATE_DIRECTOR_H_
#define METTDEAMON_FEEDRATE_DIRECTOR_H_
 
#include "plugins/PluginBase.h"
#include "utils/Random.h"
#include "plugins/NEMD/MettDeamon.h"
 
#include <string>
#include <map>
#include <list>
#include <cstdint>
#include <vector>
 
#include "utils/CommVar.h"
 
class ParticleContainer;
class DomainDecompBase;
class Domain;
 
class MettDeamonFeedrateDirector : public PluginBase
{
public:
    // constructor and destructor
    MettDeamonFeedrateDirector();
    ~~MettDeamonFeedrateDirector();
 
    void readXML(XMLfileUnits& xmlconfig) override;
 
    void init(ParticleContainer *particleContainer,
              DomainDecompBase *domainDecomp, Domain *domain) override;
 
    void beforeForces(
            ParticleContainer* particleContainer, DomainDecompBase* domainDecomp,
            unsigned long simstep
    ) override;
 
    void afterForces(
            ParticleContainer* particleContainer, DomainDecompBase* domainDecomp,
            unsigned long simstep
    ) override;
 
    void endStep(
            ParticleContainer *particleContainer,
            DomainDecompBase *domainDecomp, Domain *domain,
            unsigned long simstep) override {}
 
    void finish(ParticleContainer *particleContainer,
                DomainDecompBase *domainDecomp, Domain *domain) override {}
 
    std::string getPluginName() override {return std::string("MettDeamonFeedrateDirector");}
    static PluginBase* createInstance() {return new MettDeamonFeedrateDirector();}
 
private:
    void calcFeedrate(MettDeamon* mettDeamon);
    void resetLocalValues();
    void csv_str2list(const std::string& strCSV, std::list<double>& list);
    void writeRestartfile();
 
private:
    uint32_t _mirror_id;
    struct Feedrate {
        double init;
        double actual;
        double sum;
        std::list<double> list;
        uint32_t numvals;
        double avg;
    } _feedrate;
    struct UpdateControl {
        uint32_t updateFreq;
        uint32_t sampledTimestepCount;
    } _updateControl;
    struct ParticleManipCount {
        CommVar<std::vector<uint64_t> > reflected;
        CommVar<std::vector<uint64_t> > deleted;
    } _particleManipCount;
    struct Restart {
        uint32_t writefreq;
    } _restart;
};
 
#endif /*METTDEAMON_FEEDRATE_DIRECTOR_H_*/