Matrix Science header

ms_xic.hpp

00001 /*
00002 ##############################################################################
00003 # file: ms_xic.hpp
00004 # 'msparser' toolkit
00005 # An extracted ion chromatogram
00006 ##############################################################################
00007 # COPYRIGHT NOTICE
00008 # Copyright 1998-2014 Matrix Science Limited  All Rights Reserved.
00009 #
00010 ##############################################################################
00011  * @(#)$Source: /vol/cvsroot/parser/inc/ms_xic.hpp,v $
00012  * @(#)$Revision: 1.4 $
00013  * @(#)$Date: 2017/01/31 13:10:16 $
00014 ##############################################################################
00015  */
00016 
00017 #ifndef MS_XIC_HPP
00018 #define MS_XIC_HPP
00019 
00020 #ifdef _WIN32
00021 #pragma warning(disable:4251)   // Don't want all classes to be exported
00022 #pragma warning(disable:4786)   // Debug symbols too long
00023 #   ifndef _MATRIX_USE_STATIC_LIB
00024 #       ifdef MS_MASCOTRESFILE_EXPORTS
00025 #           define MS_MASCOTRESFILE_API __declspec(dllexport)
00026 #       else
00027 #           define MS_MASCOTRESFILE_API __declspec(dllimport)
00028 #       endif
00029 #   else
00030 #       define MS_MASCOTRESFILE_API
00031 #   endif
00032 #else
00033 #   define MS_MASCOTRESFILE_API
00034 #endif
00035 
00036 // Includes from the standard template library
00037 #include <string>
00038 
00039 namespace matrix_science
00040 {
00041     //=========================================================================
00047     class ms_xic_body;
00048     class ms_cache_file;
00049 
00051 
00058     class MS_MASCOTRESFILE_API ms_xic :   
00059         public ms_handle
00060     {
00061         public:
00063 
00066             enum peakState
00067             {
00068                 PEAK_STATE_UNKNOWN = 0, 
00069                 PEAK_STATE_OK = 1,      
00070                 PEAK_STATE_DISCARD =3,  
00071             };
00072 
00074             static std::string getXmlCode(peakState code);
00075 
00077             static peakState getCodeFromXml(std::string text);
00078 
00080             ms_xic();
00081 
00083             explicit ms_xic(const ms_xic_body & body);
00084 
00086             void defaultValues();
00087 
00088 
00089 #ifndef SWIG
00090 
00091             ms_xic_body * body();
00093             const ms_xic_body * body() const;
00095             void setCacheFile(matrix_science::ms_cache_file * cacheFile);
00097             ms_xic(int peakStartIndex,
00098                    int peakEndIndex,
00099                    int regionStartIndex,
00100                    int regionEndIndex,
00101                    int startIndex,
00102                    int endIndex,
00103                    int peakStartScanId,
00104                    int peakEndScanId,
00105                    int regionStartScanId,
00106                    int regionEndScanId,
00107                    int startScanId,
00108                    int endScanId,
00109                    ms_xic::peakState peakState,
00110                    bool useTimeShift,
00111                    double elutionTimeShift,
00112                    double rtPeakStart,
00113                    double rtPeakEnd,
00114                    double rtRegionStart,
00115                    double rtRegionEnd,
00116                    const std::vector<double> & intensities, 
00117                    const std::vector<double> & retentionTimes, 
00118                    const std::vector<int>    & scanIds); 
00119 #endif
00120 
00122             peakState getPeakState() const;
00123 
00125             bool hasIndexes() const;
00126 
00128             unsigned getPeakStartIndex() const;
00129 
00131             unsigned getPeakEndIndex() const;
00132 
00134             unsigned getRegionStartIndex() const;
00135 
00137             unsigned getRegionEndIndex() const;
00138 
00140             unsigned getStartIndex() const;
00141 
00143             unsigned getEndIndex() const;
00144 
00146             int getPeakStartScanId() const;
00147 
00149             int getPeakEndScanId() const;
00150 
00152             int getRegionStartScanId() const;
00153 
00155             int getRegionEndScanId() const;
00156 
00158             int getStartScanId() const;
00159 
00161             int getEndScanId() const;
00162 
00164             bool getUseTimeShift() const;
00165 
00167             double getElutionTimeShift() const;
00168 
00170             double getRtPeakStart() const;
00171 
00173             double getRtPeakEnd() const;
00174 
00176             double getRtRegionStart() const;
00177 
00179             double getRtRegionEnd() const;
00180 
00182             int getNumPoints() const;
00184             void getPoint(int index, double & rt, int & scanId, double & intensity) const;
00185     };
00186  // end of quantitation_group
00188     //=========================================================================
00189 
00190 } // namespace matrix_science
00191 
00192 #endif // MS_XIC_HPP
00193 
00194 /*------------------------------- End of File -------------------------------*/
Copyright © 2016 Matrix Science Ltd.  All Rights Reserved. Generated on Fri Jun 2 2017 01:44:51