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 "../MonteCarlo/Ensemble.h"
 
namespace oILAB {
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;
 
    };
 
    } // namespace oILAB
 
#include "GbMesoStateEnsembleImplementation.h"
#endif //OILAB_GBMESOSTATES_H