FixRegion.h

/*
 * FixRegion.h
 *
 *  Created on: 9 July 2020
 *      Author: Marx
 */
 
#pragma once
 
// class DropalignerTest;
#include "Domain.h"
#include "PluginBase.h"
#include "parallel/DomainDecompBase.h"
#include "particleContainer/ParticleContainer.h"
 
//#include "parallel/DomainDecompBase.h"
 
class FixRegion : public PluginBase {
private:
    double _xMin;
    double _yMin;
    double _zMin;
    double _xMax;
    double _yMax;
    double _zMax;
    double _boxLength[3];
    unsigned long _molCount;
 
public:
    void init(ParticleContainer* particleContainer, DomainDecompBase* domainDecomp, Domain* domain) override;
 
    void readXML(XMLfileUnits& xmlconfig) override;
 
    void beforeForces(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("FixRegion"); }
 
    static PluginBase* createInstance() { return new FixRegion(); }
 
    void registerCallbacks(std::map<std::string, FunctionWrapper>& callbackMap) override {
        callbackMap["FixRegion::getMoleculesInRegion"] = [this] { return _molCount; };
    }
};