OpenMS  3.0.0
WeightWrapper.h
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34 
35 #pragma once
36 
39 
40 namespace OpenMS
41 {
42 
49  class OPENMS_DLLAPI WeightWrapper
50  {
51 
52 public:
53 
54  enum WEIGHTMODE {AVERAGE = 0, MONO, SIZE_OF_WEIGHTMODE};
55 
59  WeightWrapper();
60 
64  explicit WeightWrapper(const WEIGHTMODE weight_mode);
65 
69  virtual ~WeightWrapper();
70 
74  WeightWrapper(const WeightWrapper & source);
75 
76 
83  void setWeightMode(const WEIGHTMODE mode);
84 
85 
92  WEIGHTMODE getWeightMode() const;
93 
94 
102  double getWeight(const AASequence & aa) const;
103 
111  double getWeight(const EmpiricalFormula & ef) const;
112 
113 
121  double getWeight(const Residue & r, Residue::ResidueType res_type = Residue::Full) const;
122 
123 
124 private:
125 
127 
128 
129  };
130 }
OpenMS::Residue::Full
with N-terminus and C-terminus
Definition: Residue.h:153
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::Residue
Representation of an amino acid residue.
Definition: Residue.h:62
OpenMS::WeightWrapper
Encapsulated weight queries to simplify mono vs average weight computation.
Definition: WeightWrapper.h:49
OpenMS::Residue::ResidueType
ResidueType
Definition: Residue.h:151
EmpiricalFormula.h
AASequence.h
OpenMS::WeightWrapper::weight_mode_
WEIGHTMODE weight_mode_
one of WeightWrapper::WEIGHTMODE's values
Definition: WeightWrapper.h:126
OpenMS::EmpiricalFormula
Representation of an empirical formula.
Definition: EmpiricalFormula.h:84
OpenMS::IdentificationDataInternal::AVERAGE
Definition: MetaData.h:76
OpenMS::WeightWrapper::WEIGHTMODE
WEIGHTMODE
Definition: WeightWrapper.h:54
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:111