00001 /*
00002 ##############################################################################
00003 # file: ms_ms1quant_match_component.hpp
00004 # 'msparser' toolkit
00005 # 
00006 ##############################################################################
00007 # COPYRIGHT NOTICE
00008 # Copyright 1998-2014 Matrix Science Limited  All Rights Reserved.
00009 #
00010 ##############################################################################
00011  * @(#)$Source: parser/inc/ms_ms1quant_match_component.hpp $
00012  * @(#)$Revision: 1b450440f9c97e1e41d0fc6016a27d68951d4532 | MSPARSER_REL_2_8_1-0-gea32989045 $
00013  * @(#)$Date: 2018-07-30 16:23:53 +0100 $
00014 ##############################################################################
00015  */
00016 
00017 #ifndef MS_MS1QUANT_MATCH_COMPONENT_HPP
00018 #define MS_MS1QUANT_MATCH_COMPONENT_HPP
00019 
00020 
00021 // Includes from the standard template library
00022 #include <string>
00023 
00024 namespace matrix_science
00025 {
00026     //=========================================================================
00032     class ms_ms1quant_match_component_body;
00033 
00035 
00038     class MS_MASCOTRESFILE_API ms_ms1quant_match_component :
00039         public ms_handle
00040     {
00041         public:
00043             ms_ms1quant_match_component();
00044 
00046             ms_ms1quant_match_component(const ms_ms1quant_match_component_body & body);
00047 
00048 #ifndef SWIG
00049 
00050             ms_ms1quant_match_component_body * body();
00052             const ms_ms1quant_match_component_body * body() const;
00054             void removePeptide(const int q, const int p);
00055 #endif
00056 
00058             std::string getComponent() const;
00059 
00061             bool isComponentIdentified() const;
00062 
00064             double getRelativeMass() const;
00065 
00067             double getMoverz() const;
00068 
00070             std::string getVarModsStr() const;
00071 
00073             std::string getSummedModsStr() const;
00074 
00076             bool hasAbsoluteValue() const;
00077 
00079             double getAbsoluteValue() const;
00080 
00082             void setAbsoluteValue(double value);
00083 
00085             ms_xic getXic() const;
00086 
00088             ms_xic * getXicPtr();
00089 
00091             int getNumRanges() const;
00093             ms_ms1quant_match_range getRange(int index) const;
00094 
00095             void setRanges(std::vector<ms_ms1quant_match_range> ranges);
00096 
00098             int getNumPeptides() const;
00099 #ifndef SWIG
00100 
00101             void getPeptideKey(int index, int & q, int & p) const;
00102 #else // SWIG Multiple return values
00103             void getPeptideKey(int index, int & OUTPUT, int & OUTPUT) const;
00104 #endif
00105     };
00106  // end of quantitation_group
00108     //=========================================================================
00109 
00110 } // namespace matrix_science
00111 
00112 #ifndef SWIG
00113 namespace msparser_internal
00114 {
00115     MS_PARSERINTERNAL_API double calcRelMassFromMz(double mz, long charge);
00116     MS_PARSERINTERNAL_API double calcMzFromRelMass(double mr, long charge);
00117 }
00118 #endif
00119 
00120 #endif // MS_MS1QUANT_MATCH_COMPONENT_HPP
00121 
00122 /*------------------------------- End of File -------------------------------*/