Matrix Science header

ms_ms1quant_charge_state.hpp

00001 /*
00002 ##############################################################################
00003 # file: ms_fitexy_result.hpp
00004 # 'msparser' toolkit
00005 # 
00006 ##############################################################################
00007 # COPYRIGHT NOTICE
00008 # Copyright 1998-2014 Matrix Science Limited  All Rights Reserved.
00009 #
00010 ##############################################################################
00011  * @(#)$Source: /vol/cvsroot/parser/inc/ms_ms1quant_charge_state.hpp,v $
00012  * @(#)$Revision: 1.2 $
00013  * @(#)$Date: 2017/01/31 13:10:16 $
00014 ##############################################################################
00015  */
00016 
00017 #ifndef MS_MS1QUANT_CHARGE_STATE_HPP
00018 #define MS_MS1QUANT_CHARGE_STATE_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 namespace matrix_science
00037 {
00038     //=========================================================================
00044     class ms_ms1quant_charge_state_body;
00045 
00047 
00050     class MS_MASCOTRESFILE_API ms_ms1quant_charge_state :
00051         public ms_handle
00052     {
00053         public:
00055             ms_ms1quant_charge_state();
00056 
00058             ms_ms1quant_charge_state(const ms_ms1quant_charge_state_body & body);
00059 
00060 #ifndef SWIG
00061             ms_ms1quant_charge_state_body * body();
00062             const ms_ms1quant_charge_state_body * body() const;
00063 
00065             ms_ms1quant_charge_state(const double correctSppWidthMin,
00066                                      const double correctSppWidthMax,
00067                                      const double correctSppWidth,
00068                                      const double bucketWidth,
00069                                      const double maxAlignment,
00070                                      const double matchedRho,
00071                                      const double matchedFraction,
00072                                      const double totalIntensity,
00073                                      const std::map<int, double> & bucketAreas,  // scanId -> area
00074                                      const std::vector<double>   & calcMzVar);                // row matrix calcmz
00075 #endif
00076 
00078             double getCorrectedMinSPPwidth() const;
00079 
00081             double getCorrectedMaxSPPwidth() const;
00082 
00084             double getCorrectedSPPwidth() const;
00085 
00087             double getBucketWidth() const;
00088 
00090             double getMaxAlignment() const;
00091 
00093             double getMatchedRho() const;
00094 
00096             double getMatchedFraction() const;
00097 
00099             double getTotalIntensity() const;
00100 
00102             int getNumberOfBuckets() const;
00103 
00105             bool getBucket(int index, unsigned & scanId, double & area) const;
00106 
00107             // internal
00108             ms_matrix getCalcMz() const;
00109     };
00110  // end of quantitation_group
00112     //=========================================================================
00113 
00114 } // namespace matrix_science
00115 
00116 #endif // MS_MS1QUANT_CHARGE_STATE_HPP
00117 
00118 /*------------------------------- End of File -------------------------------*/
Copyright © 2016 Matrix Science Ltd.  All Rights Reserved. Generated on Fri Jun 2 2017 01:44:51