OpenMS
MassDecompositionAlgorithm.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Andreas Bertsch $
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34 
35 #pragma once
36 
39 
40 // ims includes
41 #ifdef OPENMS_COMPILER_MSVC
42 #pragma warning( push )
43 #pragma warning( disable : 4290 4267)
44 #endif
45 
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 
79 
83 
89  void getDecompositions(std::vector<MassDecomposition> & decomps, double weight);
91 
92 protected:
93 
94  void updateMembers_() override;
95 
97 
99 
100 private:
101 
102  // will not be implemented
105 
108  };
109 
110 } // namespace OpenMS
111 
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
Mass decomposition algorithm, given a mass it suggests possible compositions.
Definition: MassDecompositionAlgorithm.h:70
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:96
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:98
Holds an indexed list of bio-chemical elements.
Definition: IMSAlphabet.h:82
Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allo...
Definition: RealMassDecomposer.h:68
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48