Bloch_McConnell_CV_Model.h

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/*
 *  JEMRIS Copyright (C)
 *                        2006-2025  Tony Stoecker
 *                        2007-2018  Kaveh Vahedipour
 *                        2009-2019  Daniel Pflugfelder
 *
 *  This program is free software; you can redistribute it and/or modify
 *  it under the terms of the GNU General Public License as published by
 *  the Free Software Foundation; either version 2 of the License, or
 *  (at your option) any later version.
 *
 *  This program 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 General Public License for more details.
 *
 *  You should have received a copy of the GNU General Public License
 *  along with this program; if not, write to the Free Software
 *  Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
 */
 
#ifndef BLOCH_MCCONNELL_CV_MODEL_H_
#define BLOCH_MCCONNELL_CV_MODEL_H_
 
#include "Model.h"
#include "config.h"
 
struct BMAux {
 
        double*   exrates;
        bool      single;
 
        BMAux () {
                
                exrates = 0;
                single  = false;
 
        };
 
        void Init (int npools) {
                
                exrates = (double*) malloc (npools * npools * sizeof(double));
                
        };
 
};
 
 
 
//CVODE includes:
#ifdef HAVE_CVODE_CVODE_H
    #include "cvode/cvode.h"
#endif
#ifdef HAVE_NVECTOR_NVECTOR_SERIAL_H
    #include "nvector/nvector_serial.h"
#endif
#ifdef HAVE_CVODE_CVODE_DIAG_H
    #include "cvode/cvode_diag.h"         /* prototypes for CVODE diagonal solver (required since CVODE 5.x) */
#endif
 
#define NEQ   3                   // number of equations
#ifndef RTOL
        #define RTOL  1e-6                // scalar relative tolerance
#endif
#ifndef ATOL1
        #define ATOL1 1e-8                // vector absolute tolerance components
#endif
#ifndef ATOL2
        #define ATOL2 1e-8
#endif
#ifndef ATOL3
        #define ATOL3 1e-8
#endif
 
 
struct bmnvec {
    N_Vector y;      
    N_Vector abstol; 
};
 
class Bloch_McConnell_CV_Model : public Model {
 
 public:
 
    virtual ~Bloch_McConnell_CV_Model      () {
        CVodeFree(&m_cvode_mem);
    };
 
    Bloch_McConnell_CV_Model               ();
 
 
 protected:
 
    virtual void InitSolver      ();
 
    virtual void FreeSolver      ();
 
    void         PrintFinalStats ();
 
 
    virtual bool Calculate       (double next_tStop);
 
 private:
 
    void*    m_cvode_mem;
    double   m_tpoint;
    double   m_reltol;
 
        int      m_nprops;
        int      m_ncomp ;
        BMAux    m_bmaux;      
        
};
 
#endif //BLOCH_MCCONNELL_CV_MODEL_H_