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;

    MQExperiment*   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;

} 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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