ProteoWizard
MS2Deisotoper.hpp
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1 //
2 // $Id: MS2Deisotoper.hpp 6389 2014-06-13 19:46:19Z frenchwr $
3 //
4 //
5 // Original author: Chris Paulse <cpaulse <a.t> systemsbiology.org>
6 //
7 // Copyright 2009 Institute for Systems Biology, Seattle, WA
8 //
9 // Licensed under the Apache License, Version 2.0 (the "License");
10 // you may not use this file except in compliance with the License.
11 // You may obtain a copy of the License at
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13 // http://www.apache.org/licenses/LICENSE-2.0
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21 
22 
23 #ifndef _MS2DEISOTOPER_HPP_
24 #define _MS2DEISOTOPER_HPP_
25 
26 
29 
30 typedef struct {
31  int charge;
32  std::vector <int> indexList;
33 } isoChain;
34 
35 namespace pwiz {
36 namespace analysis {
37 
38 
39 using chemistry::MZTolerance;
40 
41 
42 // Deisotope high resolution ms2 spectra
43 
45 {
46  /// PrecursorMassFilter's parameters
48  {
49  Config(MZTolerance tol = MZTolerance(0.5), bool hires_ = false, bool poisson_ = false, int maxCharge_ = 3, int minCharge_ = 1)
50  : matchingTolerance(tol), hires(hires_), poisson(poisson_), maxCharge(maxCharge_), minCharge(minCharge_) {}
51 
53  bool hires;
54  bool poisson;
55  int maxCharge;
56  int minCharge;
57  };
58 
59  MS2Deisotoper(const MS2Deisotoper::Config params_) : params(params_) {}
60  virtual void operator () (const pwiz::msdata::SpectrumPtr) const;
61  virtual void describe(pwiz::msdata::ProcessingMethod&) const;
62 
64 };
65 
66 
67 } // namespace analysis
68 } // namespace pwiz
69 
70 
71 #endif // _MS2DEISOTOPER_HPP_
Config(MZTolerance tol=MZTolerance(0.5), bool hires_=false, bool poisson_=false, int maxCharge_=3, int minCharge_=1)
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: MSData.hpp:569
MS2Deisotoper(const MS2Deisotoper::Config params_)
std::vector< int > indexList
PrecursorMassFilter&#39;s parameters.
Description of the default peak processing method. This element describes the base method used in the...
Definition: MSData.hpp:253
#define PWIZ_API_DECL
Definition: Export.hpp:32
struct for expressing m/z tolerance in either amu or ppm
Definition: MZTolerance.hpp:38
const MS2Deisotoper::Config params