Home  · Classes  · Annotated Classes  · Modules  · Members  · Namespaces  · Related Pages
ILPDCWrapper.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2017.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Chris Bielow $
32 // $Authors: Chris Bielow $
33 // --------------------------------------------------------------------------
34 
35 #ifndef OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H
36 #define OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H
37 
40 
41 #include <vector>
42 #include <set>
43 
44 namespace OpenMS
45 {
46 
47  class MassExplainer;
48  class FeatureMap;
49 
50  class OPENMS_DLLAPI ILPDCWrapper
51  {
52 
53 public:
54  typedef std::vector<ChargePair> PairsType;
55  typedef PairsType::size_type PairsIndex;
56 
58  ILPDCWrapper();
59 
61  virtual ~ILPDCWrapper();
62 
67  double compute(const FeatureMap fm, PairsType& pairs, Size verbose_level) const;
68 
69 private:
70 
72  double computeSlice_(const FeatureMap fm,
73  PairsType& pairs,
74  const PairsIndex margin_left,
75  const PairsIndex margin_right,
76  const Size verbose_level) const;
77 
79  double computeSliceOld_(const FeatureMap fm,
80  PairsType& pairs,
81  const PairsIndex margin_left,
82  const PairsIndex margin_right,
83  const Size verbose_level) const;
84 
86  double getLogScore_(const PairsType::value_type& pair, const FeatureMap& fm) const;
87 
89 
90  // add another charge annotation variant for a feature
91  void updateFeatureVariant_(FeatureType_& f_set, const String& rota_l, const Size& v) const;
92 
93 
94 
95  }; // !class
96 
97 } // !namespace
98 
99 #endif // OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H
PairsType::size_type PairsIndex
Definition: ILPDCWrapper.h:55
A more convenient string class.
Definition: String.h:57
Definition: ILPDCWrapper.h:50
A container for features.
Definition: FeatureMap.h:94
Map< String, std::set< Size > > FeatureType_
Definition: ILPDCWrapper.h:88
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
std::vector< ChargePair > PairsType
Definition: ILPDCWrapper.h:54
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:51

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:01 using doxygen 1.8.13