Fermeture_Thermo_Systeme_Naire.cpp

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#include <Fermeture_Thermo_Systeme_Naire.h>
 
#include <Param.h>
#include <Table.h>
#include <Fermeture_Thermo_base.h>
 
Implemente_instanciable(Fermeture_Thermo_Systeme_Naire, "Fermeture_Thermo_Systeme_Naire|Thermo_Closure_Nary_System", Fermeture_Thermo_base);
 
Sortie& Fermeture_Thermo_Systeme_Naire::printOn(Sortie& os) const
{
  os << que_suis_je() << finl;
  os << "Number of order parameters = " << nb_parametres_d_ordre_ << finl;
  os << "Mobility factor = " << mult_mobilite_ << finl;
  os << "Kappa has rotation: " << type_kappa_rotation_ << " (0=no, 1=yes)" << finl;
  os << "Kappa = " << kappa_i_ << finl;
  os << "Mobility auto diffusion: " << type_mobilite_auto_diffusion_ << " (0=no, 1=yes)" << finl;
  os << "Mobility = " << mob_i_ << finl;
  os << "Beta = " << beta_ << finl;
  os << "Potential = " << mu_ << finl;
 
  return os;
}
 
Entree& Fermeture_Thermo_Systeme_Naire::readOn(Entree& is)
{
  Cerr << "Reading the " << que_suis_je() << " closures ..." << finl;
 
  Param param(que_suis_je());
  set_param(param);
 
  param.lire_avec_accolades_depuis(is);
 
  return is;
}
 
void Fermeture_Thermo_Systeme_Naire::set_param(Param& param) const
{
  param.ajouter("nb_parametres|nb_equations", &nb_parametres_d_ordre_, Param::REQUIRED);
  param.ajouter("multiplicateur_de_mobilite", &mult_mobilite_, Param::REQUIRED);
  param.ajouter_non_std("kappa_rotation", (this), Param::REQUIRED);
  param.ajouter_non_std("mobilite_auto_diffusion", (this), Param::REQUIRED);
  param.ajouter_non_std("potentiel_chimique", (this), Param::REQUIRED);
  param.ajouter_non_std("beta", (this), Param::REQUIRED);
}
 
int Fermeture_Thermo_Systeme_Naire::lire_motcle_non_standard(const Motcle& mot, Entree& is)
{
  Motcle motlu;
  if (nb_parametres_d_ordre_ < 0)
    {
      Process::exit("Fermeture_Thermo_Systeme_Naire: nb_parametres|nb_equations must be read before any other keyword");
    }
  // KAPPA --------------------------------------------------------------------------------------------
  if (mot == "kappa_rotation")
    {
      Cerr << "1) Reading kappa_rotation " << finl;
 
      assert(nb_parametres_d_ordre_ > -1);
      is >> motlu;
      if (motlu == "oui")
        {
          kappa_i_.resize(nb_parametres_d_ordre_ * nb_parametres_d_ordre_ );
          type_kappa_rotation_ = 1;
 
          if (nb_parametres_d_ordre_ == 2)
            {
              Param param("lire_kappa_rotation");
              param.ajouter("kappa_ref", &kappa_ref_, Param::REQUIRED);
              param.ajouter("rotation_angle", &angle_kappa_, Param::REQUIRED);
              param.ajouter("diagonal_coefficient", &diagonal_coeff_, Param::REQUIRED);
              param.lire_avec_accolades_depuis(is);
              using Kokkos::numbers::pi;
              constexpr auto pi_s_180 = pi / 180.;
              const double cos_kappa = cos(angle_kappa_ * pi_s_180);
              const double sin_kappa = sin(angle_kappa_ * pi_s_180);
              double coeff_mult = kappa_ref_ / (2 * pow(cos_kappa, 2) + diagonal_coeff_ * pow(sin_kappa, 2));
              kappa_i_(0) = 2 * pow(cos_kappa, 2) + diagonal_coeff_ * pow(sin_kappa, 2);
              kappa_i_(1) = 2 * cos_kappa * sin_kappa
                            - diagonal_coeff_ * sin_kappa * cos_kappa;
              kappa_i_(2) = kappa_i_(1);
              kappa_i_(3) = 2 * pow(sin_kappa, 2) + diagonal_coeff_ * pow(cos_kappa, 2);
              kappa_i_ *= coeff_mult;
            }
          else
            {
              Cerr << "kappa rotation not yet implemented for nb_phases /= 2" << finl;
              Process::exit();
            }
        }
      else if (motlu == "non")
        {
          type_kappa_rotation_ = 0;
          is >> motlu;
          if (motlu != "{")
            {
              Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting { after 'non' instead of " << motlu << finl;
              Process::exit();
            }
          is >> motlu;
          if (motlu == "kappa")
            {
              kappa_i_.resize(nb_parametres_d_ordre_ * nb_parametres_d_ordre_);
              for (int i = 0; i < kappa_i_.size(); i++)
                is >> kappa_i_(i);
            }
          else
            {
              Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: Error while reading kappa_rotation " << finl;
              Cerr << motlu << " is not understood. We are expecting the keyword kappa !! " << finl;
              Process::exit();
            }
 
          is >> motlu;
          if (motlu != "}")
            {
              Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting } instead of " << motlu << finl;
              Process::exit();
            }
        }
      return 1;
    }
  // MOBILITE -----------------------------------------------------------------------------------------
  else if (mot == "mobilite_auto_diffusion")
    {
      Cerr << "2) Reading mobilite_auto_diffusion " << finl;
 
      assert(nb_parametres_d_ordre_ > -1);
      mob_i_.resize(nb_parametres_d_ordre_*nb_parametres_d_ordre_);
      is >> motlu;
      Cout << "Auto diffusion ? " << motlu << finl;
      // Avec auto-diffusion
      if (motlu == "oui")
        {
          type_mobilite_auto_diffusion_ = 1;
          // Cas binaire
          if (nb_parametres_d_ordre_ == 1)
            {
              is >> motlu;
              if (motlu != "{")
                {
                  Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting { after 'oui' instead of " << motlu << finl;
                  exit();
                }
              is >> motlu;
              while (motlu != "}")
                {
                  if (motlu == "mobilite")
                    is >> mob_i_;
                  else if (motlu == "fonction")
                    {
                      mobilite_forme_expr_.lire_f(is, 1);
                      mobilite_func_c = &Fermeture_Thermo_base::mobilite_func_c_general;
                      mob_i_ = 0;
                    }
                  else
                    Process::exit("Problem in mobilite_auto_diffusion readOn : Only mobilite & fonction keywords are known !");
                  is >> motlu;
                }
            }
          // Cas n-aire
          else
            {
              is >> motlu;
              if (motlu != "{")
                {
                  Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting { after 'oui' instead of " << motlu << finl;
                  exit();
                }
              mob_i_ = 0;
              is >> motlu;
              int cpt1 = 0;
              Motcles param_mobilite(3);
              param_mobilite[0] = "coefficient_auto_diffusion";
              param_mobilite[1] = "temperature";
              param_mobilite[2] = "volume_molaire";
              while (motlu != "}")
                {
                  int rang0 = param_mobilite.search(motlu);
                  switch(rang0)
                    {
                    case 0:
                      {
                        cpt1++;
                        coeff_auto_diffusion_.resize(nb_parametres_d_ordre_ + 1);
                        for (int i = 0; i < coeff_auto_diffusion_.size(); i++)
                          is >> coeff_auto_diffusion_(i);
                        break;
                      }
                    case 1:
                      {
                        cpt1++;
                        is >> temperature_; //temperature en Kelvin
                        break;
                      }
                    case 2:
                      {
                        cpt1++;
                        is >> molarVolume_;
                        break;
                      }
                    default:
                      {
                        Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: Error while reading mobilite_auto_diffusion " << finl;
                        Cerr << motlu << " is not understood." << finl;
                        Cerr << "We are expecting a keyword among " << param_mobilite << finl;
                        exit();
                      }
 
                    }
                  is >> motlu;
                }
              if (cpt1 != 3)
                {
                  Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: Error while reading Fermeture_Thermo_Systeme_Naire: wrong number of parameters" << finl;
                  Cerr << "You should specify all these parameters: " << param_mobilite << finl;
                  exit();
                }
              mobilite_func_c = &Fermeture_Thermo_base::mobilite_func_auto_diffusion;
            }
 
        }
      // Pas d'auto-diffusion : mobilité constante
      else if (motlu == "non")
        {
          type_mobilite_auto_diffusion_ = 0;
          is >> motlu;
          if (motlu != "{")
            {
              Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting { after 'non' instead of " << motlu << finl;
              Process::exit();
            }
          is >> motlu;
          while (motlu != "}")
            {
              if (motlu == "mobilite")
                {
                  for (int i = 0; i < mob_i_.size(); i++)
                    is >> mob_i_(i);
                }
              else
                {
                  Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: Error while reading mobilite_auto_diffusion " << finl;
                  Cerr << motlu << " is not understood. We are expecting the keyword mobilite !!" << finl;
                  Process::exit();
                }
              is >> motlu;
            }
          mobilite_func_c = &Fermeture_Thermo_base::mobilite_func_c_cst;
        }
      // Mobilité par défaut : cas binaire c(1-c)
      else if (motlu == "defaut")
        {
          type_mobilite_auto_diffusion_ = 1;
 
          Cout << "Default case..." << finl;
          is >> motlu;
          Cout << "Word: " << motlu << finl;
          if (motlu != "{")
            {
              Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: We are expecting { after 'defaut' instead of " << motlu << finl;
              exit();
            }
          is >> motlu;
          Cout << "Second word: " << motlu << finl;
          while (motlu != "}")
            {
              Cout << "In the loop: " << motlu << finl;
              if (motlu == "mobilite")
                {
                  for (int i = 0; i < mob_i_.size(); i++)
                    is >> mob_i_(i);
                  Cout << "We have read 'mobilite', then it is the value of mobility : " << mob_i_ << finl;
                }
              else
                {
                  Cerr << "Fermeture_Thermo_Systeme_Naire::readOn: Error while reading defaut option. " << finl;
                  Cerr << motlu << " is not understood. We are expecting the keyword mobilite !!" << finl;
                  Process::exit();
                }
              is >> motlu;
              Cout << "Another word after: " << motlu << finl;
            }
          mobilite_func_c = &Fermeture_Thermo_base::mobilite_func_c_defaut;
        }
      return 1;
    }
  else if (mot == "potentiel_chimique")
    {
      Cerr << "3) Reading potentiel_chimique " << finl;
 
      assert(nb_parametres_d_ordre_ > -1);
      // IMPORTANT : Il faut absolument initialiser le nombre de parametres d'ordre
      Cerr << "Nombre de paramètres d'ordre lu = " << nb_parametres_d_ordre_<< finl;
      is >> mu_;
      mu_->check_compatibility(nb_parametres_d_ordre_);
      return 1;
    }
  else if (mot == "beta")
    {
      Cerr << "4) Reading beta" << finl;
 
      assert(nb_parametres_d_ordre_ > -1);
      beta_.resize(nb_parametres_d_ordre_);
      for (int i = 0; i < nb_parametres_d_ordre_; i++)
        is >> beta_(i);
      return 1;
    }
  else
    {
      Cerr << "Fermeture_Thermo_Systeme_Naire::readOn -- Problem while reading parameters..." << finl;
      exit();
      return 1;
    }
 
}