us_analyte.h

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#ifndef US_ANALYTE_H
#define US_ANALYTE_H

#include <QtCore>

#include "us_extern.h"
#include "us_db2.h"

class US_UTIL_EXTERN US_Analyte
{
   public:
      US_Analyte();

      bool operator== ( const US_Analyte& ) const;


      enum analyte_t { PROTEIN, DNA, RNA, CARBOHYDRATE };

      double            vbar20;         
      double            mw;             
      QString           description;    
      QString           analyteGUID;    
      QString           sequence;       
      analyte_t         type;           
      bool              grad_form;      

      // The following values are valid for DNA/RNA only
      bool              doubleStranded; 
      bool              complement;     
      bool              _3prime;        
      bool              _5prime;        
      double            sodium;         
      double            potassium;      
      double            lithium;        
      double            magnesium;      
      double            calcium;        

      QMap< double, double > extinction;

      QMap< double, double > refraction;

      QMap< double, double > fluorescence;

      QString message;
      QString analyteID; 

      int load( bool, const QString&, US_DB2* = 0 );
      
      int  write( bool, const QString&, US_DB2* = 0 );
      
      static bool analyte_path( QString& );

      static QString get_filename( const QString&, const QString& );

      void   dump        ( void );

   private:
      int    load_db     ( const QString&, US_DB2* );
      int    load_disk   ( const QString& );
      int    read_analyte( const QString& );
      void   nucleotide  ( void );
      
      int    write_disk      ( const QString& );
      int    write_db        ( US_DB2* );
      void   set_spectrum    ( US_DB2* );
      void   write_nucleotide( US_DB2* );
};
#endif