massspec/isoclusterfile.h

#ifndef _ISOCLUSTERFILE_H_
#define _ISOCLUSTERFILE_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" 
*/

typedef struct
{
        unsigned int state: 2;
        unsigned int merged_file: 1;

        FILE*    pFile;
        fpos_t   datastart;
        fpos_t   curr_pos;

        Experiment*     expmnt;

        char*           pathname;
        char*           procmapname;
        
        int                     curve;

        FPeak2i*        pFPeaks;
        int                     nFPeaks;
        int                     nCurrFPeak;

        IsotopicCluster *isotopicCluster;          //Array of clusters
        int                             nClusters;
        int                             nCurrCluster;
        
        RestrictionStatistics           *pRestr;
        int                                                     nRestr;

        struct FPeakFilter*                             filter;

} ISOTOPIC_CLUSTER_FILE;

int             IsotopicClusterFile_load(char* szFilename, ISOTOPIC_CLUSTER_FILE *file);
void    IsotopicClusterFile_init(ISOTOPIC_CLUSTER_FILE *file);

typedef struct
{
        FPeak2iPointer  fpeak;
        int                             isotopicCluster;
} FPeak2i_IsotopicCluster;

FPeak2i_IsotopicCluster* FPeakFile_getFPeak2iToIsotopicClusterMap(ISOTOPIC_CLUSTER_FILE *file);
void FPeak_IsotopicCluster_sortByFPeak2iPointerSamplingCoordinates(FPeak2i_IsotopicCluster* fpk2isc, int size);
FPeak2i_IsotopicCluster* FPeak_IsotopicCluster_queryBySamplingCoordinates(FPeak2i_IsotopicCluster* fpk2isc, int size, int scan, int bin);

#endif

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