us_constants.h

Go to the documentation of this file.

#ifndef US_CONSTANTS_H
#define US_CONSTANTS_H

#include <QtCore>

#include "us_extern.h"

#define AVOGADRO     6.022045e+23 
#define R            8.314472e+07 
#define K0           273.15       
#define K20          293.15       
#define VISC_20W     1.00194      
#define DENS_20W     0.998234     
#define COMP_25W     4.6e-10      
#define WATER_MW     18.01        
#define WATER_PH     7.0          
#define TYPICAL_VBAR 0.7200       
#define NORMAL_TEMP  20.0         
#define ODLIM_PLFAC  1.2          




// A
#define ALANINE_MW                 71.10  
#define ALANINE_VBAR                0.74  

// B
#define M_OR_D_MW                 114.60  
#define M_OR_D_VBAR                 0.61  

// C
#define CYSTEINE_MW               103.20  
#define CYSTEINE_VBAR               0.63  
#define CYSTEINE_E280             120.00  

// D
#define ASPARTIC_ACID_MW           115.1  
#define ASPARTIC_ACID_VBAR           0.6  

// E
#define GLUTAMIC_ACID_MW          129.10  
#define GLUTAMIC_ACID_VBAr          0.66  

// F
#define PHENYLALANINE_MW          147.20  
#define PHENYLALANINE_VBAR          0.77  

// G
#define GLYCINE_MW                 57.10  
#define GLYCINE_VBAR                0.64  

// H
#define HISTIDINE_MW              137.20  
#define HISTIDINE_VBAR              0.67  

// I
#define ISOLEUCINE_MW             113.2   
#define ISOLEUCINE_VBAR             0.9   

// J - James Nowick: Hao
// Std is LEUCINE
#define HAO_MW                    235.2000 
#define HAO_VBAR                    0.6497 
#define HAO_E280                 9850.0000 

// K
#define LYSINE_MW                 128.2   
#define LYSINE_VBAR                 0.82  

// L
#define LEUCINE_MW                113.2   
#define LEUCINE_VBAR                0.9   

// M
#define METHIONINE_MW             131.20  
#define METHIONINE_VBAR             0.75  

// N
#define ASPARAGINE_MW             115.1   
#define ASPARAGINE_VBAR             0.6   

// O - delta-linked ornithin (James Nowick)
// Std is Pyrrolysine
#define ORNITHIN_MW               114.2000 
#define ORNITHIN_VBAR               0.7795 
#define ORNITHIN_E280               0.0000 

// P
#define PROLINE_MW                 97.10  
#define PROLINE_VBAR                0.76  

// Q
#define GLUTAMINE_MW              128.10  
#define GLUTAMINE_VBAR              0.67  

// R
#define ARGININE_MW               156.2   
#define ARGININE_VBAR               0.7   

// S
#define SERINE_MW                  87.10  
#define SERINE_VBAR                 0.63  

// T
#define THREONINE_MW              101.1   
#define THREONINE_VBAR              0.7   

// U - currently unused
#define SELENOCYSTEINE_MW                  
#define SELENOCYSTEINE_VBAR                

// V
#define VALINE_MW                  99.10   
#define VALINE_VBAR                 0.86   

// W
#define TRYPTOPHAN_MW             186.20   
#define TRYPTOPHAN_VBAR             0.74   
#define TRYPTOPHAN_E280          5690.00   

// X -- Use an average
#define UNK_MW                    119.750   
#define UNK_VBAR                    0.722   

// Y
#define TYROSINE_MW               163.20   
#define TYROSINE_VBAR               0.71   
#define TYROSINE_E280            1280.00   

// Z
#define E_OR_Q_MW                 128.600   
#define E_OR_Q_VBAR                 0.665   

// John Kulp: diaminobutyric acid
#define  DIAMINOBUTYRIC_ACID_MW   101.100   
#define  DIAMINOBUTYRIC_ACID_VBAR   0.736   

// John Kulp: diaminopropanoic acid
#define  DIAMINOPROPANOIC_ACID_MW    87.100   
#define  DIAMINOPROPANOIC_ACID_VBAR   0.669   


const QString DEGC   = QString( QChar( 176 ) ) + "C"; 
const QString MLDEGC = QString( "&deg;C" );   


namespace US_ConstantModels
{
   enum models 
   {
      Ideal1Comp, 
      Ideal2Comp, 
      Ideal3Comp, 
      Fixed, 
      MonoDimer, 
      MonoTrimer, 
      MonoTetramer,
      MonoPentamer, 
      MonoHexamer, 
      MonoHeptamer, 
      UserMonoNmer, 
      MonoDiTrimer, 
      MonoDiTetramer, 
      UserMonoNmerNmer, 
      TwoComponent,
      UserHetero, 
      UserMonoIncompMono, 
      UserMonoIncompNmer, 
      UserIrreversible,
      UserMonoPlusContaminant
   };
}

class US_UTIL_EXTERN US_Constants
{
  public:
     
   static QStringList modelStrings( void );

};
#endif