| OpenMS 2.5.0

WeightWrapper.h
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31 // $Maintainer: Chris Bielow$
32 // $Authors: Chris Bielow $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/CHEMISTRY/EmpiricalFormula.h>
38 #include <OpenMS/CHEMISTRY/AASequence.h>
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
126 WEIGHTMODE weight_mode_;
127
128
129 };
130 }
OpenMS::WeightWrapper::weight_mode_
WEIGHTMODE weight_mode_
one of WeightWrapper::WEIGHTMODE&#39;s values
Definition: WeightWrapper.h:126
AASequence.h
OpenMS::Residue
Representation of a residue.
Definition: Residue.h:61
OpenMS::IdentificationDataInternal::AVERAGE
Definition: MetaData.h:75
OpenMS::WeightWrapper::WEIGHTMODE
WEIGHTMODE
Definition: WeightWrapper.h:54
OpenMS::Residue::Full
with N-terminus and C-terminus
Definition: Residue.h:152
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:113
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::EmpiricalFormula
Representation of an empirical formula.
Definition: EmpiricalFormula.h:82
EmpiricalFormula.h
OpenMS::WeightWrapper
Encapsulated weight queries to simplify mono vs average weight computation.
Definition: WeightWrapper.h:49
OpenMS::Residue::ResidueType
ResidueType
Definition: Residue.h:150