ProfileBase.h

//
// Created by Kruegener on 8/19/2018.
//
 
#ifndef MARDYN_TRUNK_PROFILEBASE_H
#define MARDYN_TRUNK_PROFILEBASE_H
 
#include "../../Domain.h"
#include "../../parallel/DomainDecompBase.h"
 
class SpatialProfile;
 
struct SamplingInformation {
    double universalInvProfileUnit[3]; // Inv. Bin Sizes
    double universalProfileUnit[3]; // Bin Sizes
    double globalLength[3]; // Size of Domain
    double segmentVolume; // Size of one Sampling grid bin
    double universalCentre[3]; // Centre coords for cylinder system
    unsigned long globalNumMolecules; // number of molecules in system
    unsigned long numMolFixRegion; // number of molecules in Fix Region
    bool cylinder; // Cartesian or Cylinder output
};
 
class ProfileBase {
 
public:
 
    virtual ~~ProfileBase() {};
 
    virtual void init(SamplingInformation& samplingInformation) { _samplInfo = samplingInformation; };
 
    virtual void record(Molecule& mol, unsigned long uID) = 0;
 
    virtual void collectAppend(DomainDecompBase* domainDecomp, unsigned long uID) = 0;
 
    virtual void collectRetrieve(DomainDecompBase* domainDecomp, unsigned long uID) = 0;
 
    virtual void output(string prefix, long unsigned accumulatedDatasets) = 0;
 
    virtual void reset(unsigned long uID) = 0;
 
    virtual int comms() = 0;
 
protected:
    // output file prefix
    string _profilePrefix;
 
    SamplingInformation _samplInfo;
    long _accumulatedDatasets = -1; // Number of Datasets between output writes / profile resets // -1 if not set properly
 
    virtual void writeDataEntry(unsigned long uID, ofstream& outfile) const = 0;
 
    void writeMatrix(ofstream& outfile);
 
    void writeKartMatrix(ofstream& outfile);
 
    // TODO: implement if needed
    void writeSimpleMatrix(ofstream& outfile);
 
    void writeCylMatrix(ofstream& outfile);
};
 
#endif //MARDYN_TRUNK_PROFILEBASE_H