| OpenMS 2.5.0

MassDecompositionAlgorithm.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Andreas Bertsch $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
38 #include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/MassDecomposition.h>
39
40 // ims includes
41 #ifdef OPENMS_COMPILER_MSVC
42 #pragma warning( push )
43 #pragma warning( disable : 4290 4267)
44 #endif
45
46 #include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/RealMassDecomposer.h>
47 #include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/IMSAlphabet.h>
48 #include <OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/Weights.h>
49 #ifdef OPENMS_COMPILER_MSVC
50 #pragma warning( pop )
51 #endif
52
53 #include <vector>
54
55 namespace OpenMS
56 {
68 class OPENMS_DLLAPI MassDecompositionAlgorithm :
69 public DefaultParamHandler
70 {
71 public:
72
77 MassDecompositionAlgorithm();
79
81 ~MassDecompositionAlgorithm() override;
83
88 void getDecompositions(std::vector<MassDecomposition> & decomps, double weight);
91
92 protected:
93
94 void updateMembers_() override;
95
96 ims::IMSAlphabet * alphabet_;
97
98 ims::RealMassDecomposer * decomposer_;
99
100 private:
101
102 // will not be implemented
104 MassDecompositionAlgorithm(const MassDecompositionAlgorithm & deco);
105
107 MassDecompositionAlgorithm & operator=(const MassDecompositionAlgorithm & rhs);
108 };
109
110 } // namespace OpenMS
111
OpenMS::DefaultParamHandler
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
OpenMS::MassDecompositionAlgorithm::decomposer_
ims::RealMassDecomposer * decomposer_
Definition: MassDecompositionAlgorithm.h:98
OpenMS::ims::IMSAlphabet
Holds an indexed list of bio-chemical elements.
Definition: IMSAlphabet.h:81
IMSAlphabet.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Weights.h
MassDecomposition.h
DefaultParamHandler.h
OpenMS::MassDecompositionAlgorithm
Mass decomposition algorithm, given a mass it suggests possible compositions.
Definition: MassDecompositionAlgorithm.h:68
OpenMS::ims::RealMassDecomposer
Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allo...
Definition: RealMassDecomposer.h:67
RealMassDecomposer.h
OpenMS::MassDecompositionAlgorithm::alphabet_
ims::IMSAlphabet * alphabet_
Definition: MassDecompositionAlgorithm.h:96