us_astfem_math.h

Go to the documentation of this file.

#ifndef US_ASTFEM_MATH_H
#define US_ASTFEM_MATH_H

#include "us_model.h"
#include "us_simparms.h"
#include "us_extern.h"

#include <unistd.h>

class US_UTIL_EXTERN US_AstfemMath
{ 
   public:

      class MfemInitial;
      class MfemScan;
      class MfemData;

      static void interpolate_C0( MfemInitial&, MfemInitial& );

      static void interpolate_C0( MfemInitial&, double*, QVector< double >& );

      static void zero_2d      ( int, int, double** );

      static void initialize_2d( int, int, double*** );

      static void clear_2d     ( int, double** );

      static double maxval( const QVector< double >& );

      static double minval( const QVector< double >& );

      static double maxval( const QVector< US_Model::SimulationComponent >& );

      static double minval( const QVector< US_Model::SimulationComponent >& );

      static void   initialize_3d( int, int, int, double**** );
      
      static void   clear_3d     ( int, int, double*** );
   
      static void   tridiag      ( double*, double*, double*, 
                                   double*, double*, int );

      static double cube_root    ( double, double, double );

      static int    GaussElim    ( int, double**, double* );

      static double find_C1_mono_Nmer( int, double, double );

      static int    interpolate  ( MfemData&, MfemData&, bool );  

      static int    interpolate  ( MfemData&, MfemData&, bool, int, int );  

      static void   QuadSolver   ( double*, double*, double*, double*, 
                                   double*, double*, int);
   
      static void   IntQT1       ( double* , double, double,
                                   double**, double );
   
      static void   IntQTm       ( double* , double, double,
                                   double**, double );
   
      static void   IntQTn2      ( double* , double, double,
                                   double**, double );
   
      static void   IntQTn1      ( double* , double, double,
                                   double**, double );
      static void   DefineFkp    ( int, double** );

      static double AreaT        ( double*, double* );

      static void   BasisTS      ( double, double, double*, double*, double*);

      static void   BasisQS      ( double, double, double*, double*, double*);
   
      static void   BasisTR      ( double*, double*,
                                   double, double, double*, double*, double* );
   
      static void   BasisQR      ( double*, double, double,
                                   double*, double*, double*, double );

      static double Integrand    ( double, double, double, double,
                                   double, double, double, double);

      static void   DefineGaussian( int, double** );

      static void   initSimData   ( US_DataIO::RawData&,
                                    US_DataIO::EditedData&, double );

      static double variance      ( US_DataIO::RawData&,
                                    US_DataIO::EditedData& );

      static double variance      ( US_DataIO::RawData&,
                                    US_DataIO::EditedData&,
                                    QList< int > );

      static double calc_bottom   ( double, double, double* );

      class MfemInitial
      {
         public:
         QVector< double > radius;         
         QVector< double > concentration;  
      };

      class MfemScan
      {
         public:
         double            time;        
         double            omega_s_t;   
         double            temperature; 
         double            rpm;         
         QVector< double > conc;        
      };

      class MfemData  
      {
         public:
         QString      id;           
         int          cell;         
         int          channel;      

         double       wavelength; 
         double       rpm;          
   
   
         double       s20w_correction;  
      
      
         double       D20w_correction;  
         double       viscosity;       
         double       density;         
         double       vbar;            
         double       avg_temperature; 
         double       vbar20;          
         double       meniscus;        
         double       bottom;          
         QVector< double>    radius;   
         QVector< MfemScan > scan;     
      };
     
      class ReactionGroup
      {
         public:
         QVector< int > association;    
         QVector< int > GroupComponent; 
      };

      class ComponentRole
      {
         public:
         int            comp_index; 
         QVector< int > assocs;     
         QVector< int > stoichs;    
      };

      class AstFemParameters
      {
         public:
         int    simpoints;        

         QVector< double > s;     
         QVector< double > D;     
         QVector< double > kext;  
         QVector< ComponentRole > role; 
         double pathlength;       
         double dt;               
         int    time_steps;       
         double omega_s;          
         double start_time;       
         double start_om2t;       
         double current_meniscus; 
         double current_bottom;   
         int    first_speed;      
         int    rg_index;         

         QVector< int > local_index;  
         
         QVector< US_Model::Association > association; 
      };

};
#endif