DOFProfile.h

//
// Created by Kruegener on 10/22/2018.
//
 
#ifndef MARDYN_DOFPROFILE_H
#define MARDYN_DOFPROFILE_H
 
 
#include "ProfileBase.h"
#include "plugins/SpatialProfile.h"
 
class DOFProfile final : public ProfileBase {
public:
    ~~DOFProfile() final = default;
    void record(Molecule &mol, unsigned long uID) final  {
        _localProfile[uID] += 3.0 + (long double) (mol.component()->getRotationalDegreesOfFreedom());
    }
    void collectAppend(DomainDecompBase *domainDecomp, unsigned long uID) final {
        domainDecomp->collCommAppendInt(_localProfile[uID]);
    }
    void collectRetrieve(DomainDecompBase *domainDecomp, unsigned long uID) final {
        _globalProfile[uID] = domainDecomp->collCommGetInt();
    }
    void output(string prefix, long unsigned accumulatedDatasets) final;
    void reset(unsigned long uID) final  {
        _localProfile[uID] = 0;
        _globalProfile[uID] = 0;
    }
    int comms() final {return 1;}
 
    int getGlobalDOF(unsigned long uid) const {
        return _globalProfile.at(uid);
    }
 
private:
    // Local 1D Profile
    std::map<unsigned, int> _localProfile;
    // Global 1D Profile
    std::map<unsigned, int> _globalProfile;
 
    void writeDataEntry(unsigned long uID, ofstream &outfile) const final;
};
 
 
#endif //MARDYN_DOFPROFILE_H