domain.h

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#define XMIN    bounds[0]
#define XMAX    bounds[1]

enum BoundaryTypes {
        insideBoundary=0,
        periodicBoundary,
        elasticBoundary,
        openBoundary,
        maxBoundaryTypes
};
struct Boundary {
        int idir,
                iside;
        REAL *xmin,*xmax;
        BoundaryTypes   type; 
        bool adiabatic;
        REAL    
                area, 
                temperature;
        List<Gas> gases;
        Reaction *reactions;

        Boundary() {
                idir=iside=-1;
                xmin=xmax=NULL;
                type=elasticBoundary;
                adiabatic=true;
                temperature=0.0;
                area=0.0;
                reactions=NULL;
        }
        ~Boundary() {
//+             delete reactions;
        }
        inline REAL Area() {return area;}
        inline void Area(REAL a){ area=a; }
        inline REAL Temperature() {return temperature;}
        inline void Temperature(REAL t){ temperature=t; }
        void init(int i, int j, REAL ymin[], REAL ymax[], int nspecies);
        void Inject(
                int specietype, 
                REAL vavx,
                REAL temperature, 
                Collection<Molecule> *molecules 
        );
};
class Bulk {
        REAL temperature,volume,
                xmin[DIM],xmax[DIM];
public:
        List<Gas> gases;
        inline REAL Temperature() {return temperature; }
        inline void Temperature(REAL temp) {temperature=temp;}
        inline REAL Volume() {return volume; }
        inline void Volume(REAL vol) {volume=vol;}
        void init(REAL xmin[], REAL xmax[]);
        Molecule *inject(int specie, REAL velocity, Collection<Molecule> *molecules);
};
class Domain {
        int *distribution;
        REAL bounds[2][DIM]; //xmin[DIM],xmax[DIM];//!< domain bounds
        char boundaryName[maxBoundaryTypes][WORDLENGTH];
        Bulk bulk;
        Boundary boundaries[DIM][2]; 
        Collection<Molecule> molecules; 
        Pool<Molecule> *pool;
        public:
        Domain(char *filename);
        ~Domain();
        inline void BoundaryType(enum BoundaryTypes b, int idir, int inside) {
                if(idir<0||idir>=DIM||inside<0||inside>2) {
                        fprintf(stderr,"ERROR: Invalid boundary index: %d, %d in BoundaryType\n",idir,inside);
                        exit(1);
                } 
                boundaries[idir][inside].type=b; 
        };
        inline enum BoundaryTypes BoundaryType(int idir, int inside) {
                if(idir<0||idir>=DIM||inside<0||inside>2) {
                        fprintf(stderr,"ERROR: Invelid boundary index: %d, %d in BoundaryType\n",idir,inside);
                        exit(1);
                } 
                return boundaries[idir][inside].type; 
        };
        inline void setMinBound(int i, REAL x){ bounds[0][i]=x;};
        inline void setMaxBound(int i, REAL x){ bounds[1][i]=x;};
        inline REAL minBound(int i){ return bounds[0][i];};
        inline REAL maxBound(int i){ return bounds[1][i];};
//-     inline int getBounds(REAL *x0, REAL *x1) { x0=xmin; x1=xmax;};
        int computeBounds(REAL x0[], REAL x1[]);
//?     inline List<Molecule> *Molecules(){ return &molecules; };
        inline Collection<Molecule> *Molecules(){ return &molecules; };
//-     void load(char *filename, List<Molecule> *molecules, REAL xmin[], REAL xmax[]);
        int run(int niter);
        void step(int iter);
        int boundary(Molecule *molecule);
        void injection();
        void interaction();
        void interaction(int icounter);
        Interaction interact(Molecule *a, Molecule *b);
        void init();
        void load(char *filename);
        void save(char *taskname);
};

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