DiffAL.h

/**
 * \copyright
 * Copyright (c) 2020, OpenGeoSys Community (http://www.opengeosys.org)
 *            Distributed under a Modified BSD License.
 *              See accompanying file LICENSE.txt or
 *              http://www.opengeosys.org/project/license
 *
 */

#include <string>
#include <vector>

// using namespace std;

class DiffusionAL
{
private:
public:
    DiffusionAL(void);
    ~DiffusionAL(void);

    /* Data */
    typedef struct
    {
        string N;   // name
        int Z;      // charge
        double A;   // parameter A or C
        double B;   // parameter B
        double R;   // Radii
        double M;   // molecular weight
        double D0;  // Self-Diffusion Coefficient
    } AqData;
    vector<AqData> Ions;

    typedef struct
    {
        string N;  // name of solute
        double C;  // molality of solute
        double D;  // diffusion coefficient(**final result**)
    } Solute;
    vector<Solute> ListS;  // initial input condition

    typedef struct
    {
        string Nc;  // name of cation
        string Na;  // name of anion
        double Lc;  // number of cation
        double La;  // number of anion
        double S;   // number of solvent
        double M;   // molality
    } speciesE;

    typedef struct
    {
        string N;  // name of neutral species
        double L;  // number of neutral species
        double S;  // number of solvent
        double M;  // molality
    } speciesN;

    /* Methods */
    void LoadParameters(void);
    std::vector<string> string2vector(
        string);  // split string line to pieces, and store in a vector

    void SelfDiffCoef(double, double);
    double SingleElectrolytesDiffCoef(double, double, double, string, string,
                                      string);
    // temperature(K),pressure(MPa),molality,name of cation,name of anion,
    // name of diffusive species(destination)(return its diffusion coefficient
    int GreatestCommonDivisor(int, int);
    void DivideSolution(std::vector<Solute>, double&, std::vector<speciesE>&,
                        std::vector<speciesN>&);
    void MultiDiffCoef(double, double);

    void CreateListS(void);

    // void testDS(double, double);
    void Interface(void);

    void entrance(void);
};