#include <QtCore>
#include "us_extern.h"

Include dependency graph for us_constants.h:

This graph shows which files directly or indirectly include this file:

Classes
class	US_Constants
	Fetch preset values. All functions are static. More...

Namespaces
namespace	US_ConstantModels

Macros
#define	AVOGADRO 6.022045e+23
	Avogadro's number. More...

#define	R 8.314472e+07
	Ideal gas constant. More...

#define	K0 273.15
	0 degrees C in Kelvin More...

#define	K20 293.15
	20 degrees C in Kelvin More...

#define	VISC_20W 1.00194
	Viscosity of water at 20 degrees C. More...

#define	DENS_20W 0.998234
	Density of water at 20 degrees C. More...

#define	COMP_25W 4.6e-10
	Compressibility of water at 25 degrees C. More...

#define	WATER_MW 18.01
	Molecular weight of water. More...

#define	WATER_PH 7.0
	pH of water More...

#define	TYPICAL_VBAR 0.7200
	Typical vbar for a protein. More...

#define	NORMAL_TEMP 20.0
	Normal temperature for an experiment. More...

#define	ODLIM_PLFAC 1.2
	ODlimit-exceeded plot scale factor. More...

#define	ALANINE_MW 71.10
	(A)alanine mol. wt. More...

#define	ALANINE_VBAR 0.74
	(A)alanine part. spec. vol. More...

#define	M_OR_D_MW 114.60
	(B)M-or-D mol. wt. More...

#define	M_OR_D_VBAR 0.61
	(B)M-or-D part. spec. vol. More...

#define	CYSTEINE_MW 103.20
	(C)cysteine mol. wt. More...

#define	CYSTEINE_VBAR 0.63
	(C)cysteine part. spec. vol. More...

#define	CYSTEINE_E280 120.00
	(C)cysteine ext. coeff. More...

#define	ASPARTIC_ACID_MW 115.1
	(D)aspartic acid mol. wt. More...

#define	ASPARTIC_ACID_VBAR 0.6
	(D)aspartic acic part. spec. vol. More...

#define	GLUTAMIC_ACID_MW 129.10
	(E)glutamic acid mol. wt. More...

#define	GLUTAMIC_ACID_VBAr 0.66
	(E)glumatic acid part. spec. vol. More...

#define	PHENYLALANINE_MW 147.20
	(F)phenylalanine mol. wt. More...

#define	PHENYLALANINE_VBAR 0.77
	(F)phenylalanine part. spec. vol. More...

#define	GLYCINE_MW 57.10
	(G)glycine mol. wt. More...

#define	GLYCINE_VBAR 0.64
	(G)glycine part. spec. vol. More...

#define	HISTIDINE_MW 137.20
	(H)histidine mol. wt. More...

#define	HISTIDINE_VBAR 0.67
	(H)histidine part. spec. vol. More...

#define	ISOLEUCINE_MW 113.2
	(I)isoleucine mol. wt. More...

#define	ISOLEUCINE_VBAR 0.9
	(I)isoleucine part. spec. vol. More...

#define	HAO_MW 235.2000
	(J)hao mol. wt. More...

#define	HAO_VBAR 0.6497
	(J)hao part. spec. vol. More...

#define	HAO_E280 9850.0000
	(J)hao ext. coeff. More...

#define	LYSINE_MW 128.2
	(K)lysine mol. wt. More...

#define	LYSINE_VBAR 0.82
	(K)lysine part. spec. vol. More...

#define	LEUCINE_MW 113.2
	(L)leucine mol. wt. More...

#define	LEUCINE_VBAR 0.9
	(L)leucine part. spec. vol. More...

#define	METHIONINE_MW 131.20
	(M)methionine mol. wt. More...

#define	METHIONINE_VBAR 0.75
	(M)methionine part. spec. vol. More...

#define	ASPARAGINE_MW 115.1
	(N)asparagine mol. wt. More...

#define	ASPARAGINE_VBAR 0.6
	(N)asparagine part. spec. vol. More...

#define	ORNITHIN_MW 114.2000
	(O)ornithin mol. wt. More...

#define	ORNITHIN_VBAR 0.7795
	(O)ornithin mol. wt. More...

#define	ORNITHIN_E280 0.0000
	(O)ornithin ext. coeff. More...

#define	PROLINE_MW 97.10
	(P)proline mol. wt. More...

#define	PROLINE_VBAR 0.76
	(P)proline part. spec. vol. More...

#define	GLUTAMINE_MW 128.10
	(Q)glutamine mol. wt. More...

#define	GLUTAMINE_VBAR 0.67
	(Q)glutamine part. spec. vol. More...

#define	ARGININE_MW 156.2
	(R)arginine mol. wt. More...

#define	ARGININE_VBAR 0.7
	(R)arginine part. spec. vol. More...

#define	SERINE_MW 87.10
	(S)serine mol. wt. More...

#define	SERINE_VBAR 0.63
	(S)serine part. spec. vol. More...

#define	THREONINE_MW 101.1
	(T)threonine mol. wt. More...

#define	THREONINE_VBAR 0.7
	(T)threonine part. spec. vol. More...

#define	SELENOCYSTEINE_MW
	(U)selenocysteine mol. wt. More...

#define	SELENOCYSTEINE_VBAR
	(U)selenocysteine part. s. vol. More...

#define	VALINE_MW 99.10
	(V)valine mol. wt. More...

#define	VALINE_VBAR 0.86
	(V)valine part. spec. vol. More...

#define	TRYPTOPHAN_MW 186.20
	(W)tryptophan mol. wt. More...

#define	TRYPTOPHAN_VBAR 0.74
	(W)tryptophan part. spec. vol. More...

#define	TRYPTOPHAN_E280 5690.00
	(W)tryptophan ext. coeff. More...

#define	UNK_MW 119.750
	(X)unknown mol. wt. More...

#define	UNK_VBAR 0.722
	(X)unknown spec. vol. More...

#define	TYROSINE_MW 163.20
	(Y)tyrosine mol. wt. More...

#define	TYROSINE_VBAR 0.71
	(Y)tyrosine part. spec. vol. More...

#define	TYROSINE_E280 1280.00
	(Y)tyrosine ext. coeff. More...

#define	E_OR_Q_MW 128.600
	(Z)E-or-Q mol. wt. More...

#define	E_OR_Q_VBAR 0.665
	(Z)E-or-Q part. spec. vol. More...

#define	DIAMINOBUTYRIC_ACID_MW 101.100
	diaminobutyric mol. wt. More...

#define	DIAMINOBUTYRIC_ACID_VBAR 0.736
	diaminobutyric part.sp.vol. More...

#define	DIAMINOPROPANOIC_ACID_MW 87.100
	diaminopropanoic mol. wt. More...

#define	DIAMINOPROPANOIC_ACID_VBAR 0.669
	diaminopropanoic p.s.vol. More...

Variables
const QString	DEGC = QString( QChar( 176 ) ) + "C"
	Declare miscellaneous constants. More...

const QString	MLDEGC = QString( "°C" )
	HTML degree-symbol + "C". More...

Macro Definition Documentation

#define ALANINE_MW 71.10

(A)alanine mol. wt.

Define constants for amino acids. The data is primarily from: Cohn, E. J., and Edsall, J. T. (1943) Proteins, Amino Acids, and Peptides as Ions and Dipolar Ions. New York, Reinhold. MW values have been reduce by a water molecule (18 daltons) to represent the weight in a peptide chain

Definition at line 32 of file us_constants.h.

#define ALANINE_VBAR 0.74

(A)alanine part. spec. vol.

Definition at line 33 of file us_constants.h.

#define ARGININE_MW 156.2

(R)arginine mol. wt.

Definition at line 105 of file us_constants.h.

#define ARGININE_VBAR 0.7

(R)arginine part. spec. vol.

Definition at line 106 of file us_constants.h.

#define ASPARAGINE_MW 115.1

(N)asparagine mol. wt.

Definition at line 87 of file us_constants.h.

#define ASPARAGINE_VBAR 0.6

(N)asparagine part. spec. vol.

Definition at line 88 of file us_constants.h.

#define ASPARTIC_ACID_MW 115.1

(D)aspartic acid mol. wt.

Definition at line 45 of file us_constants.h.

#define ASPARTIC_ACID_VBAR 0.6

(D)aspartic acic part. spec. vol.

Definition at line 46 of file us_constants.h.

#define AVOGADRO 6.022045e+23

Avogadro's number.

Definition at line 9 of file us_constants.h.

#define COMP_25W 4.6e-10

Compressibility of water at 25 degrees C.

Definition at line 15 of file us_constants.h.

#define CYSTEINE_E280 120.00

(C)cysteine ext. coeff.

Definition at line 42 of file us_constants.h.

#define CYSTEINE_MW 103.20

(C)cysteine mol. wt.

Definition at line 40 of file us_constants.h.

#define CYSTEINE_VBAR 0.63

(C)cysteine part. spec. vol.

Definition at line 41 of file us_constants.h.

#define DENS_20W 0.998234

Density of water at 20 degrees C.

Definition at line 14 of file us_constants.h.

#define DIAMINOBUTYRIC_ACID_MW 101.100

diaminobutyric mol. wt.

Definition at line 143 of file us_constants.h.

#define DIAMINOBUTYRIC_ACID_VBAR 0.736

diaminobutyric part.sp.vol.

Definition at line 144 of file us_constants.h.

#define DIAMINOPROPANOIC_ACID_MW 87.100

diaminopropanoic mol. wt.

Definition at line 147 of file us_constants.h.

#define DIAMINOPROPANOIC_ACID_VBAR 0.669

diaminopropanoic p.s.vol.

Definition at line 148 of file us_constants.h.

#define E_OR_Q_MW 128.600

(Z)E-or-Q mol. wt.

Definition at line 139 of file us_constants.h.

#define E_OR_Q_VBAR 0.665

(Z)E-or-Q part. spec. vol.

Definition at line 140 of file us_constants.h.

#define GLUTAMIC_ACID_MW 129.10

(E)glutamic acid mol. wt.

Definition at line 49 of file us_constants.h.

#define GLUTAMIC_ACID_VBAr 0.66

(E)glumatic acid part. spec. vol.

Definition at line 50 of file us_constants.h.

#define GLUTAMINE_MW 128.10

(Q)glutamine mol. wt.

Definition at line 101 of file us_constants.h.

#define GLUTAMINE_VBAR 0.67

(Q)glutamine part. spec. vol.

Definition at line 102 of file us_constants.h.

#define GLYCINE_MW 57.10

(G)glycine mol. wt.

Definition at line 57 of file us_constants.h.

#define GLYCINE_VBAR 0.64

(G)glycine part. spec. vol.

Definition at line 58 of file us_constants.h.

#define HAO_E280 9850.0000

(J)hao ext. coeff.

Definition at line 72 of file us_constants.h.

#define HAO_MW 235.2000

(J)hao mol. wt.

Definition at line 70 of file us_constants.h.

#define HAO_VBAR 0.6497

(J)hao part. spec. vol.

Definition at line 71 of file us_constants.h.

#define HISTIDINE_MW 137.20

(H)histidine mol. wt.

Definition at line 61 of file us_constants.h.

#define HISTIDINE_VBAR 0.67

(H)histidine part. spec. vol.

Definition at line 62 of file us_constants.h.

#define ISOLEUCINE_MW 113.2

(I)isoleucine mol. wt.

Definition at line 65 of file us_constants.h.

#define ISOLEUCINE_VBAR 0.9

(I)isoleucine part. spec. vol.

Definition at line 66 of file us_constants.h.

#define K0 273.15

0 degrees C in Kelvin

Definition at line 11 of file us_constants.h.

#define K20 293.15

20 degrees C in Kelvin

Definition at line 12 of file us_constants.h.

#define LEUCINE_MW 113.2

(L)leucine mol. wt.

Definition at line 79 of file us_constants.h.

#define LEUCINE_VBAR 0.9

(L)leucine part. spec. vol.

Definition at line 80 of file us_constants.h.

#define LYSINE_MW 128.2

(K)lysine mol. wt.

Definition at line 75 of file us_constants.h.

#define LYSINE_VBAR 0.82

(K)lysine part. spec. vol.

Definition at line 76 of file us_constants.h.

#define M_OR_D_MW 114.60

(B)M-or-D mol. wt.

Definition at line 36 of file us_constants.h.

#define M_OR_D_VBAR 0.61

(B)M-or-D part. spec. vol.

Definition at line 37 of file us_constants.h.

#define METHIONINE_MW 131.20

(M)methionine mol. wt.

Definition at line 83 of file us_constants.h.

#define METHIONINE_VBAR 0.75

(M)methionine part. spec. vol.

Definition at line 84 of file us_constants.h.

#define NORMAL_TEMP 20.0

Normal temperature for an experiment.

Definition at line 19 of file us_constants.h.

#define ODLIM_PLFAC 1.2

ODlimit-exceeded plot scale factor.

Definition at line 20 of file us_constants.h.

#define ORNITHIN_E280 0.0000

(O)ornithin ext. coeff.

Definition at line 94 of file us_constants.h.

#define ORNITHIN_MW 114.2000

(O)ornithin mol. wt.

Definition at line 92 of file us_constants.h.

#define ORNITHIN_VBAR 0.7795

(O)ornithin mol. wt.

Definition at line 93 of file us_constants.h.

#define PHENYLALANINE_MW 147.20

(F)phenylalanine mol. wt.

Definition at line 53 of file us_constants.h.

#define PHENYLALANINE_VBAR 0.77

(F)phenylalanine part. spec. vol.

Definition at line 54 of file us_constants.h.

#define PROLINE_MW 97.10

(P)proline mol. wt.

Definition at line 97 of file us_constants.h.

#define PROLINE_VBAR 0.76

(P)proline part. spec. vol.

Definition at line 98 of file us_constants.h.

#define R 8.314472e+07

Ideal gas constant.

Definition at line 10 of file us_constants.h.

#define SELENOCYSTEINE_MW

(U)selenocysteine mol. wt.

Definition at line 117 of file us_constants.h.

#define SELENOCYSTEINE_VBAR

(U)selenocysteine part. s. vol.

Definition at line 118 of file us_constants.h.

#define SERINE_MW 87.10

(S)serine mol. wt.

Definition at line 109 of file us_constants.h.

#define SERINE_VBAR 0.63

(S)serine part. spec. vol.

Definition at line 110 of file us_constants.h.

#define THREONINE_MW 101.1

(T)threonine mol. wt.

Definition at line 113 of file us_constants.h.

#define THREONINE_VBAR 0.7

(T)threonine part. spec. vol.

Definition at line 114 of file us_constants.h.

#define TRYPTOPHAN_E280 5690.00

(W)tryptophan ext. coeff.

Definition at line 127 of file us_constants.h.

#define TRYPTOPHAN_MW 186.20

(W)tryptophan mol. wt.

Definition at line 125 of file us_constants.h.

#define TRYPTOPHAN_VBAR 0.74

(W)tryptophan part. spec. vol.

Definition at line 126 of file us_constants.h.

#define TYPICAL_VBAR 0.7200

Typical vbar for a protein.

Definition at line 18 of file us_constants.h.

#define TYROSINE_E280 1280.00

(Y)tyrosine ext. coeff.

Definition at line 136 of file us_constants.h.

#define TYROSINE_MW 163.20

(Y)tyrosine mol. wt.

Definition at line 134 of file us_constants.h.

#define TYROSINE_VBAR 0.71

(Y)tyrosine part. spec. vol.

Definition at line 135 of file us_constants.h.

#define UNK_MW 119.750

(X)unknown mol. wt.

Definition at line 130 of file us_constants.h.

#define UNK_VBAR 0.722

(X)unknown spec. vol.

Definition at line 131 of file us_constants.h.

#define VALINE_MW 99.10

(V)valine mol. wt.

Definition at line 121 of file us_constants.h.

#define VALINE_VBAR 0.86

(V)valine part. spec. vol.

Definition at line 122 of file us_constants.h.

#define VISC_20W 1.00194

Viscosity of water at 20 degrees C.

Definition at line 13 of file us_constants.h.

#define WATER_MW 18.01

Molecular weight of water.

Definition at line 16 of file us_constants.h.

#define WATER_PH 7.0

pH of water

Definition at line 17 of file us_constants.h.

Variable Documentation

const QString DEGC = QString( QChar( 176 ) ) + "C"

Declare miscellaneous constants.

Degree-symbol + "C"

Definition at line 152 of file us_constants.h.

const QString MLDEGC = QString( "°C" )

HTML degree-symbol + "C".

Definition at line 153 of file us_constants.h.

Enumerations
enum	US_ConstantModels::models { US_ConstantModels::Ideal1Comp, US_ConstantModels::Ideal2Comp, US_ConstantModels::Ideal3Comp, US_ConstantModels::Fixed, US_ConstantModels::MonoDimer, US_ConstantModels::MonoTrimer, US_ConstantModels::MonoTetramer, US_ConstantModels::MonoPentamer, US_ConstantModels::MonoHexamer, US_ConstantModels::MonoHeptamer, US_ConstantModels::UserMonoNmer, US_ConstantModels::MonoDiTrimer, US_ConstantModels::MonoDiTetramer, US_ConstantModels::UserMonoNmerNmer, US_ConstantModels::TwoComponent, US_ConstantModels::UserHetero, US_ConstantModels::UserMonoIncompMono, US_ConstantModels::UserMonoIncompNmer, US_ConstantModels::UserIrreversible, US_ConstantModels::UserMonoPlusContaminant }
	The predefined simulation model types. More...

Classes

Namespaces

Macros

Enumerations

Variables

Macro Definition Documentation

Variable Documentation