CubicGridGeneratorInternal.h

/*
 * CubicGridGeneratorInternal.h
 *
 *  Created on: Jun 9, 2017
 *      Author: seckler
 */
 
#pragma once
#include <vector>
#include "InputBase.h"
#include "molecules/Component.h"
#include "utils/Random.h"
 
class ParticleContainer;
class Domain;
class DomainDecompBase;
 
 
class CubicGridGeneratorInternal: public InputBase {
private:
    // use unsigned long long for BG/P
    unsigned long long int _numMolecules;
    bool _binaryMixture;
 
public:
    CubicGridGeneratorInternal();
    virtual ~~CubicGridGeneratorInternal() {
    }
 
    void readPhaseSpaceHeader(Domain* /*domain*/, double /*timestep*/) {
    }
    unsigned long readPhaseSpace(ParticleContainer *particleContainer, Domain *domain, DomainDecompBase *domainDecomp);
 
    void readXML(XMLfileUnits& xmlconfig);
private:
 
    std::array<unsigned long, 3> determineMolsPerDimension(unsigned long targetTotalNumMols, std::array<double, 3> boxLength) const;
 
};