SpatialProfile.h

//
// Created by Kruegener on 8/19/2018.
//
 
#ifndef MARDYN_TRUNK_SPATIALPROFILE_H
#define MARDYN_TRUNK_SPATIALPROFILE_H
 
#include <functional>
#include <optional>
#include <vector>
 
#include <plugins/profiles/ProfileBase.h>
#include "PluginBase.h"
#include "Domain.h"
#include "parallel/DomainDecompBase.h"
#include "particleContainer/ParticleContainer.h"
 
 
class ProfileBase;
 
class DensityProfile;
 
class Velocity3dProfile;
 
class VelocityAbsProfile;
 
class KineticProfile;
 
class DOFProfile;
 
class TemperatureProfile;
 
class VirialProfile;
 
class Virial2DProfile;
 
 
class SpatialProfile : public PluginBase {
 
public:
 
    void init(ParticleContainer* particleContainer, DomainDecompBase* domainDecomp, Domain* domain) override;
 
    void readXML(XMLfileUnits& xmlconfig) override;
 
    void endStep(
            ParticleContainer* particleContainer, DomainDecompBase* domainDecomp,
            Domain* domain, unsigned long simstep) override;
 
    void finish(ParticleContainer* particleContainer,
                DomainDecompBase* domainDecomp, Domain* domain) override {};
 
    unsigned long getCartesianUID(ParticleIterator& thismol);
 
    long getCylUID(ParticleIterator& thismol);
 
    std::string getPluginName() override { return std::string("SpatialProfile"); }
 
    static PluginBase* createInstance() { return new SpatialProfile(); }
 
    SamplingInformation samplInfo;
 
    void accessAllCallbacks(const std::map<std::string, FunctionWrapper>& callbackMap) override {
        // Accesses a callback registered by FixRegion. It returns the number of molecules in the fixregion.
        std::string name{"FixRegion::getMoleculesInRegion"};
        if(callbackMap.find(name) != callbackMap.end()) {
            getNumFixRegion = callbackMap.at(name).get<unsigned long>();
        }
    }
 
private:
 
    // Profile pointers for data reuse
    DensityProfile* _densProfile; 
    VelocityAbsProfile* _velAbsProfile;
    Velocity3dProfile* _vel3dProfile;
    TemperatureProfile* _tempProfile;
    DOFProfile* _dofProfile;
    KineticProfile* _kineticProfile;
    VirialProfile* _virialProfile;
    Virial2DProfile* _virial2DProfile;
 
    unsigned long _writeFrequency; // Write frequency for all profiles -> Length of recording frame before output
    unsigned long _initStatistics; // Timesteps to skip at start of the simulation
    unsigned long _profileRecordingTimesteps; // Record every Nth timestep during recording frame
    long _accumulatedDatasets; // Number of Datasets between output writes / profile resets
    std::string _outputPrefix; // File prefix for all profiles
    std::string _mode;
    std::string _profiledCompString;
    unsigned int _profiledComp;
 
 
    unsigned long _uIDs; 
 
    std::vector<ProfileBase*> _profiles; // vector holding all enabled profiles
    int _comms = 0; // total number of communications per bin needed by all profiles.
 
    // Needed for XML check for enabled profiles.
    bool _ALL = false;
    bool _DENSITY = false;
    bool _VELOCITY = false;
    bool _VELOCITY3D = false;
    bool _TEMPERATURE = false;
    bool _VIRIAL = false;
    bool _VIRIAL2D = false;
 
    void addProfile(ProfileBase* profile);
 
    std::optional<std::function<unsigned long(void)>> getNumFixRegion;
 
};
 
 
#endif //MARDYN_TRUNK_SPATIALPROFILE_H