ProteoWizard
SpectrumList_PrecursorRefine.hpp
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1//
2// $Id: SpectrumList_PrecursorRefine.hpp 1191 2009-08-14 19:33:05Z chambm $
3//
4//
5// Original author: Chris Paulse <cpaulse@systemsbiology.org>
6//
7// Copyright 2008 Spielberg Family Center for Applied Proteomics
8// Cedars-Sinai Medical Center, Los Angeles, California 90048
9//
10// Licensed under the Apache License, Version 2.0 (the "License");
11// you may not use this file except in compliance with the License.
12// You may obtain a copy of the License at
13//
14// http://www.apache.org/licenses/LICENSE-2.0
15//
16// Unless required by applicable law or agreed to in writing, software
17// distributed under the License is distributed on an "AS IS" BASIS,
18// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
19// See the License for the specific language governing permissions and
20// limitations under the License.
21//
22
23
24#ifndef _SPECTRUMLIST_PRECURSORREREFINE_HPP_
25#define _SPECTRUMLIST_PRECURSORREREFINE_HPP_
26
27
30
31
32namespace pwiz {
33namespace analysis {
34
35
36/// SpectrumList wrapper that recalculates precursor info on spectrum() requests
38{
39 public:
40
42 {
43 double mz;
44 double intensity;
45 double charge;
46 double score;
47
48 PrecursorInfo() : mz(0), intensity(0), charge(0), score(0) {}
49 };
50
51 /// constructor needs the full MSData object for instrument info;
52 /// SpectrumList_PrecursorRefine holds a reference to the original SpectrumListPtr
55
56 /// \name SpectrumList interface
57 //@{
58 virtual msdata::SpectrumPtr spectrum(size_t index, bool getBinaryData = false) const;
59 //@}
60
61 private:
62 double RefineMassVal(double initialEstimate, size_t index) const;
63 struct Impl;
64 boost::shared_ptr<Impl> impl_;
67
68mutable int numRefined;
69mutable int numTotal;
70};
71
72
73} // namespace analysis
74} // namespace pwiz
75
76
77#endif // _SPECTRUMLIST_PRECURSORREREFINE_HPP_
78
#define PWIZ_API_DECL
Definition Export.hpp:32
SpectrumList wrapper that recalculates precursor info on spectrum() requests.
SpectrumList_PrecursorRefine & operator=(SpectrumList_PrecursorRefine &)
SpectrumList_PrecursorRefine(SpectrumList_PrecursorRefine &)
SpectrumList_PrecursorRefine(const msdata::MSData &msd)
constructor needs the full MSData object for instrument info; SpectrumList_PrecursorRefine holds a re...
double RefineMassVal(double initialEstimate, size_t index) const
virtual msdata::SpectrumPtr spectrum(size_t index, bool getBinaryData=false) const
retrieve a spectrum by index
Inheritable pass-through implementation for wrapping a SpectrumList.
boost::shared_ptr< Spectrum > SpectrumPtr
Definition MSData.hpp:573
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
Definition MSData.hpp:850