sequence/sequest_mapquant_map_file.h

#ifndef _SEQUEST_MAPQUANT_MAP_FILE_H_
#define _SEQUEST_MAPQUANT_MAP_FILE_H_

struct SequestMapQuantMapFileEntry
{
        // Sequest Part

        //char* dta_filename;
        //float MH_plus;
        //float xcorr;

        char*   protein_name;
        char*   peptide_sequence;

        //int   parent_scan_in_q;
        float   mz_expected;
        float   rt_expected;
        int             z_expected;
        int             c_expected;

        int                                     nFPeaks;
        FPeak2i*                        pFPeaks;
};

typedef struct SequestMapQuantMapFileEntry SequestMapQuantMapFileEntry;


struct SequestMapQuantMapFile
{
        int             lc_dimension_unit;
        float   lc_dimension_half_window;
        int             mz_dimension_unit;
        float   mz_dimension_half_window;

        Experiment* qExperiment;
        char* szSession;
        char* szName;

        SequestMapQuantMapFileEntry* pEntries;
        int nEntries;
        int nFPeaks;
};

typedef struct SequestMapQuantMapFile SequestMapQuantMapFile;

int SequestMapQuantMapFile_load(SequestMapQuantMapFile* file, char *filename);
int SequestMapQuantMapFile_load_new(SequestMapQuantMapFile* file, char *filename);
FPeak2i* SequestMapQuantMapFile_getFPeak2iArray(SequestMapQuantMapFile* ssf);

MQString* SequestMapQuantMapFile_getPeptideSequenceArray(SequestMapQuantMapFile* ssf);
MQString* SequestMapQuantMapFile_getXCorrStringArray    (SequestMapQuantMapFile* ssf);
MQString* SequestMapQuantMapFile_getChargeStringArray   (SequestMapQuantMapFile* ssf);

#endif

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