ProteoWizard
MS2Deisotoper.hpp
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1//
2// $Id$
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
12//
13// http://www.apache.org/licenses/LICENSE-2.0
14//
15// Unless required by applicable law or agreed to in writing, software
16// distributed under the License is distributed on an "AS IS" BASIS,
17// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
18// See the License for the specific language governing permissions and
19// limitations under the License.
20//
21
22
23#ifndef _MS2DEISOTOPER_HPP_
24#define _MS2DEISOTOPER_HPP_
25
26
29
30typedef struct {
31 int charge;
32 std::vector <int> indexList;
33} isoChain;
34
35namespace pwiz {
36namespace analysis {
37
38
39using 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;
57 };
58
59 MS2Deisotoper(const MS2Deisotoper::Config params_) : params(params_) {}
60 virtual void operator () (const pwiz::msdata::SpectrumPtr&) const;
62
64};
65
66
67} // namespace analysis
68} // namespace pwiz
69
70
71#endif // _MS2DEISOTOPER_HPP_
#define PWIZ_API_DECL
Definition Export.hpp:32
boost::shared_ptr< Spectrum > SpectrumPtr
Definition MSData.hpp:573
std::vector< int > indexList
PrecursorMassFilter's parameters.
Config(MZTolerance tol=MZTolerance(0.5), bool hires_=false, bool poisson_=false, int maxCharge_=3, int minCharge_=1)
const MS2Deisotoper::Config params
MS2Deisotoper(const MS2Deisotoper::Config params_)
virtual void describe(pwiz::msdata::ProcessingMethod &) const
struct for expressing m/z tolerance in either amu or ppm
Description of the default peak processing method. This element describes the base method used in the...
Definition MSData.hpp:255