massspec/stdtables.h

#ifndef _TABLES_H_
#define _TABLES_H_

/* Copyright (c) Kyriacos Leptos and the President and Fellows of Harvard University
   Release Date: 2004-11-01
   Part of the MapQuant suite library "massspec.lib" 
*/

extern Byte     AMINOACID_ATOM_COMPOSITION_LOADED       ;
extern Byte     AMINOACID_RELATIVE_MW_LOADED            ;
extern Byte     AMINOACID_ABSOLUTE_MW_LOADED            ;
extern Byte     AMINOACID_HYDROPHOBICITY_LOADED         ;
extern Byte     CARBON_ISOTOPIC_DISTRIBUTION_LOADED ;
extern Byte     CARBON_ISOTOPIC_DISTRIBUTION_NORMALIZED ;

extern const char*      AMINOACID_ATOM_COMPOSITION_FILENAME             ;
extern const char*      AMINOACID_RELATIVE_MW_FILENAME                  ;
extern const char*      AMINOACID_ABSOLUTE_MW_FILENAME                  ;

extern char*    CARBON_ISOTOPIC_DISTRIBUTION_FILENAME   ;

enum
{
        ZERO_CARBON_13,
        ONE_CARBON_13
};

typedef enum 
{

        AMINOACID_ATOM_COMPOSITION, 
        AMINOACID_RELATIVE_MW,
        AMINOACID_ABSOLUTE_MW,
        AMINOACID_PKAS,
        AMINOACID_HYDROPHOBICITY,
        CARBON_ISOTOPIC_DISTRIBUTION

} TABLE_TYPE;

enum {  HYDROPHOBICITY_MODEL_SMQH,
                HYDROPHOBICITY_MODEL_CY_1,
                HYDROPHOBICITY_MODEL_CY_2,
                HYDROPHOBICITY_MODEL_CY_3
};      

enum {  HMODEL_SMQH_H,
                HMODEL_SMQH_h,
                HMODEL_SMQH_s
        };

enum {  HMODEL_CY_a,
                HMODEL_CY_b,
                HMODEL_CY_bo,
                HMODEL_CY_k
};

extern char *AMINOACID_HYDROPHOBICITY_FILENAME[];


FILE* openTableFile(const char* filename, const char* purpose);

int             Tables_load                                     (TABLE_TYPE table);
void    printTable                                      (TABLE_TYPE table);
void    Tables_normalizeCIVDTable       (int nRows);
int             createTable                                     (TABLE_TYPE table);
void    MQStdTables_release();

#define CIVD_TABLE_MAX_NO_ISOTOPIC_VARIANTS     9

extern float**                                  CIVD_TABLE;
extern float**                                  CIVD_TABLE_NORMALIZED;

extern int CIVD_TABLE_NO_ISOTOPIC_VARIANTS;
extern int CIVD_TABLE_NO_CARBONS;





typedef struct 
{
        char filename[100];
} Table;


void Hydrophobicity_setModel(int hmodel);
int  Hydrophobicity_modelToIndex(char* model);

Variant Property_load(char* property_name, char* filename, int type);

#endif

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