MaxCheck.h

/*
 * MaxCheck.h
 *
 *  Created on: 28.05.2018
 *      Author: mheinen
 */
 
#ifndef MAXCHECK_H_
#define MAXCHECK_H_
 
#include "PluginBase.h"
 
#include <string>
#include <map>
#include <unordered_map>
#include <list>
#include <cstdint>
#include <vector>
#include <array>
 
#include "molecules/MoleculeForwardDeclaration.h"
 
class MaxCheck : public PluginBase
{
private:
    enum MaxCheckMethods
    {
        MCM_UNKNOWN = 0,
        MCM_LIMIT_TO_MAX_VALUE = 1,
        MCM_LIMIT_TO_MAX_VALUE_OVERLAPS = 2,
        MCM_DELETE_PARTICLES = 3
    };
 
    struct TimestepControl
    {
        uint64_t start;
        uint64_t freq;
        uint64_t stop;
    };
 
    struct MaxVals
    {
        double F;
        double F2;
        double v;
        double v2;
        double M;
        double M2;
        double L;
        double L2;
        uint32_t method;
    };
    typedef std::unordered_map<uint32_t, MaxVals> maxvals_map;
 
public:
    // constructor and destructor
    MaxCheck();
    ~~MaxCheck();
 
    void readXML(XMLfileUnits& xmlconfig) override;
 
    void init(ParticleContainer *particleContainer,
              DomainDecompBase *domainDecomp, Domain *domain) override;
 
    void beforeEventNewTimestep(
            ParticleContainer* particleContainer, DomainDecompBase* domainDecomp,
            unsigned long simstep
    ) override;
 
    void siteWiseForces(
            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("MaxCheck");}
    static PluginBase* createInstance() {return new MaxCheck();}
 
private:
    double calcSquaredVectorLength(std::array<double,3>& vec) {return (vec[0]*vec[0] + vec[1]*vec[1] + vec[2]*vec[2]);}
    void checkMaxVals(ParticleContainer* particleContainer, DomainDecompBase* domainDecomp, unsigned long simstep);
    bool moleculeInsideRange(std::array<double,3>& r);
 
private:
    TimestepControl _control;
    maxvals_map _maxVals;
    std::vector<Molecule*> _deletions;
    struct Range {double xmin, xmax, ymin, ymax, zmin, zmax; bool inclusive;} _range;
};
 
#endif /*MAXCHECK_H_*/