COMaligner.h

/*
 * COMaligner.h
 *
 *  Created on: 7 May 2018
 *      Author: kruegener
 */
 
#ifndef MARDYN_TRUNK_COMALIGNER_H
#define MARDYN_TRUNK_COMALIGNER_H
 
class COMalignerTest;
#include "PluginBase.h"
#include "particleContainer/ParticleContainer.h"
#include "Domain.h"
#include "parallel/DomainDecompBase.h"
 
class COMaligner : public PluginBase{
 
private:
    friend COMalignerTest;
 
    // DEFAULT: ALIGN IN ALL DIMENSIONS
    bool _alignX = true;
    bool _alignY = true;
    bool _alignZ = true;
 
    bool _enabled = true;
 
    int _dim_start = 0;
    int _dim_end = 3;
    int _dim_step = 1;
 
    // DEFAULT: EVERY FRAME FULL ALIGNMENT
    int _interval = 1;
    float _alignmentCorrection = 1.0f;
 
    double _motion[3];
    double _balance[3];
    double _mass = 0.0;
    double _boxLength[3];
    double _cutoff;
 
public:
    COMaligner(){
        // SETUP
        for (unsigned d = 0; d < 3; d++) {
            _balance[d] = 0.0;
            _motion[d] = 0.0;
        }
    };
    ~~COMaligner(){};
 
    void init(ParticleContainer* particleContainer, DomainDecompBase* domainDecomp, Domain* domain) override {
        global_log -> debug() << "COM Realignment enabled" << std::endl;
 
        for(unsigned d = 0; d < 3; d++){
            _boxLength[d] = domain->getGlobalLength(d);
        }
 
        _cutoff = .9*particleContainer->getCutoff();
 
    }
 
    void readXML (XMLfileUnits& xmlconfig) override;
 
    void beforeForces(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("COMaligner");}
 
    static PluginBase* createInstance(){return new COMaligner();}
 
};
 
 
#endif //MARDYN_TRUNK_COMALIGNER_H