OpenMS
MassDecompositionAlgorithm.h
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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Andreas Bertsch $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
13 
14 // ims includes
15 #ifdef OPENMS_COMPILER_MSVC
16 #pragma warning( push )
17 #pragma warning( disable : 4290 4267)
18 #endif
19 
23 #ifdef OPENMS_COMPILER_MSVC
24 #pragma warning( pop )
25 #endif
26 
27 #include <vector>
28 
29 namespace OpenMS
30 {
42  class OPENMS_DLLAPI MassDecompositionAlgorithm :
43  public DefaultParamHandler
44  {
45 public:
46 
53 
57 
63  void getDecompositions(std::vector<MassDecomposition> & decomps, double weight);
65 
66 protected:
67 
68  void updateMembers_() override;
69 
71 
73 
74 private:
75 
76  // will not be implemented
79 
82  };
83 
84 } // namespace OpenMS
85 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
Mass decomposition algorithm, given a mass it suggests possible compositions.
Definition: MassDecompositionAlgorithm.h:44
void getDecompositions(std::vector< MassDecomposition > &decomps, double weight)
returns the possible decompositions given the weight
MassDecompositionAlgorithm(const MassDecompositionAlgorithm &deco)
Copy constructor.
~MassDecompositionAlgorithm() override
Destructor.
ims::IMSAlphabet * alphabet_
Definition: MassDecompositionAlgorithm.h:70
MassDecompositionAlgorithm()
Default constructor.
void updateMembers_() override
This method is used to update extra member variables at the end of the setParameters() method.
MassDecompositionAlgorithm & operator=(const MassDecompositionAlgorithm &rhs)
assignment operator
ims::RealMassDecomposer * decomposer_
Definition: MassDecompositionAlgorithm.h:72
Holds an indexed list of bio-chemical elements.
Definition: IMSAlphabet.h:56
Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allo...
Definition: RealMassDecomposer.h:42
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22