MapQuant: proteome/rpeptide.h Source File

00001 #ifndef _RPEPTIDE_H_ 00002 #define _RPEPTIDE_H_ 00003 00004 struct RPeptide 00005 { 00006 int nIndex; 00007 00008 char* szSequence; 00009 00010 float dMZ; 00011 float dModification; 00012 float dRT; 00013 float dZ; 00014 float dAbundance; 00015 float epsilonMZ; 00016 }; 00017 00018 typedef struct RPeptide RPeptide; 00019 00020 struct RPeptideLoader 00021 { 00022 int nRTColumn; 00023 int nMZColumn; 00024 int nZColumn; 00025 int nSeqColumn; 00026 int nAbundanceColumn; 00027 int nModificationColumn; 00028 double (*string_to_double) (char*); 00029 }; 00030 00031 typedef struct RPeptideLoader RPeptideLoader; 00032 00033 RPeptide* RPeptideArray_create(int size); 00034 RPeptide* MassFilterResult_loadFlatFile(Experiment expmnt, char *filename, int *nRPeptides); 00035 RPeptide* RPeptideArray_loadFromDelimitedFile(RPeptideLoader* loader, char *filename, char* delimiter, int start_row, int *nRPeptides); 00036 void RPeptideArray_fprint(FILE* fp, RPeptide* rpeptide, int npeptides); 00037 void RPeptideArray_calcMZ(RPeptide* rp, int rpeptides, int type); 00038 void RPeptide_calcEpsilonMZ(RPeptide* rp, int type); 00039 00040 Point2i* RPeptideArray_getPoint2iArray(RPeptide* rp, int rpeptides, Experiment* expmnt); 00041 00042 //void RPeptideToFPeak2iArray_fprint(FILE* fp, RPeptide* rp, 00043 // MS2ToFPeak2i* ms2toms1, Experiment* q_expmnt); 00044 //void RPeptideToFPeak2iArrayMultiple_fprint(FILE* fp, RPeptide* rp, int npeptides, 00045 // MS2ToFPeak2i* ms2toms1, Experiment* q_expmnt); 00046 00047 MQStringArray RPeptideArray_getStringArray(RPeptide* RPEPTIDES, int NO_RPEPTIDES); 00048 MQStringArray RPeptideArray_getAbuStringArray(RPeptide* rp, int NO_RPEPTIDES); 00049 MQStringArray RPeptideArray_getRTStringArray(RPeptide* rp, int NO_RPEPTIDES); 00050 MQStringArray RPeptideArray_getEMZStringArray(RPeptide* rp, int NO_RPEPTIDES); 00051 void RPeptideArray_calcEpsilonMZ(RPeptide* rp, int rpeptides, int type); 00052 void RPeptideArray_sortBySequenceAndCharge(RPeptide* rp, int npeptide); 00053 MQStringArray RPeptideArray_getChargeStringArray(RPeptide* rp, int NO_RPEPTIDES); 00054 MQStringArray RPeptideArray_getSequenceArray(RPeptide* RPEPTIDES, int NO_RPEPTIDES); 00055 00056 void RPeptideLoader_init(RPeptideLoader* rpl); 00057 00058 #endif 00059 00060