GbMesoStateEnsemble.h

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//
// Created by Nikhil Chandra Admal on 5/17/24.
//
 
#ifndef OILAB_GBMESOSTATES_H
#define OILAB_GBMESOSTATES_H
 
#include <GbShifts.h>
#include <deque>
#include <GbMesoState.h>
#include <GbContinuum.h>
#include <Ensemble.h>
 
namespace gbLAB {
    template<int dim>
    class GbMesoStateEnsemble : public GbShifts<dim>,
                                public Ensemble<XTuplet,GbMesoState<dim>,GbMesoStateEnsemble<dim>>
    {
        using VectorDimD = typename LatticeCore<dim>::VectorDimD;
        using BicrystalLatticeVectors= std::vector<LatticeVector<dim>>;
        //using Constraints= Eigen::Tensor<int,dim>;
        using Constraints= XTuplet;
 
 
        static BicrystalLatticeVectors getBicrystalConfig(const GbShifts<dim>& gbs,
                                                          std::vector<LatticeVector<dim>>& ensembleCslVectors);
                                                          //const Eigen::Vector<int,dim>& scales);
 
        static std::deque<std::tuple<LatticeVector<dim>,VectorDimD,int>> bsPairsFromConstraints(const std::vector<std::pair<LatticeVector<dim>, VectorDimD>>& bShiftPairs,
                                                                                                const Constraints& constraints);
    public:
        std::vector<LatticeVector<dim>> ensembleCslVectors;
 
        BicrystalLatticeVectors bicrystalConfig;
 
 
        GbMesoStateEnsemble(const Gb<dim>& gb,
                            const ReciprocalLatticeVector<dim>& axis,
                            std::vector<LatticeVector<dim>>& ensembleCslVectors,
                            const double& bhalfMax);
 
        std::map<Constraints ,GbMesoState<dim>> collectMesoStates(const std::string& filename="") const;
 
        static std::deque<Constraints> enumerateConstraints(const GbShifts<dim>& gbs);
 
        //std::map<Constraints,GbMesoState<dim>> evolveMesoStates(const double& temperature, const int& resetEvery, const int& maxIterations, const std::string& filename="") const;
 
 
        GbMesoState<dim> constructMesoState(const Constraints& constraints) const;
 
        Constraints sampleNewState(const Constraints& currentConstraints,
                                   const bool& randomize= false) const;
 
        Constraints initializeState() const;
 
    };
 
}
 
#include <GbMesoStateEnsembleImplementation.h>
#endif //OILAB_GBMESOSTATES_H