hitran.h

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//-----------------------------------------------------------------------bl-
//--------------------------------------------------------------------------
//
// GRINS - General Reacting Incompressible Navier-Stokes
//
// Copyright (C) 2014-2017 Paul T. Bauman, Roy H. Stogner
// Copyright (C) 2010-2013 The PECOS Development Team
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the Version 2.1 GNU Lesser General
// Public License as published by the Free Software Foundation.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public
// License along with this library; if not, write to the Free Software
// Foundation, Inc. 51 Franklin Street, Fifth Floor,
// Boston, MA  02110-1301  USA
//
//-----------------------------------------------------------------------el-

#ifndef GRINS_HITRAN_H
#define GRINS_HITRAN_H


// C++
#include <vector>
#include <string>

// libMesh
#include "libmesh/libmesh.h"

namespace GRINS
{


  class HITRAN
  {
  public:

    HITRAN(const std::string & data_file, const std::string & partition_function_file,
           libMesh::Real T_min, libMesh::Real T_max, libMesh::Real T_step);

    unsigned int isotopologue(unsigned int index);

    libMesh::Real nu0(unsigned int index);

    libMesh::Real sw(unsigned int index);

    libMesh::Real gamma_air(unsigned int index);

    libMesh::Real gamma_self(unsigned int index);

    libMesh::Real elower(unsigned int index);

    libMesh::Real n_air(unsigned int index);

    libMesh::Real delta_air(unsigned int index);

    libMesh::Real partition_function(libMesh::Real T, unsigned int iso);

    unsigned int get_data_size();

    libMesh::Real partition_function_derivative(libMesh::Real T, unsigned int iso);

  protected:
    libMesh::Real _Tmin, _Tmax, _Tstep;

    int _data_size;

    int _q_size;

    libMesh::Real _T0;

    std::vector<libMesh::Real> _qT0;

    // Vectors of data values
    std::vector<unsigned int> _isotop;
    std::vector<libMesh::Real> _nu;
    std::vector<libMesh::Real> _sw;
    std::vector<libMesh::Real> _gamma_air;
    std::vector<libMesh::Real> _gamma_self;
    std::vector<libMesh::Real> _elower;
    std::vector<libMesh::Real> _n;
    std::vector<libMesh::Real> _delta_air;

    std::vector<std::vector<libMesh::Real>> _qT;

    int T_index(libMesh::Real T);

    libMesh::Real get_partition_function_value(libMesh::Real T, unsigned int iso);

    libMesh::Real interpolate_values( int index_r, libMesh::Real T_star, const std::vector<libMesh::Real> & y) const;

    HITRAN();
  };

}

#endif // GRINS_HITRAN_H