OpenMS  3.0.0
ChargePair.h
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34 
35 #pragma once
36 
38 #include <OpenMS/CONCEPT/Types.h>
39 #include <OpenMS/OpenMSConfig.h>
40 
41 #include <iosfwd>
42 #include <vector>
43 
44 namespace OpenMS
45 {
46 
57  class OPENMS_DLLAPI ChargePair
58  {
59 
60 public:
62 
63  ChargePair();
65 
67  ChargePair(const Size& index0,
68  const Size& index1,
69  const Int& charge0,
70  const Int& charge1,
71  const Compomer& compomer,
72  const double& mass_diff,
73  const bool active);
74 
76  ChargePair(const ChargePair& rhs);
77 
79  ChargePair& operator=(const ChargePair& rhs);
80 
82  virtual ~ChargePair() = default;
83 
85 
86  //@name Accessors
88  Int getCharge(UInt pairID) const;
90 
92  void setCharge(UInt pairID, Int e);
93 
95  Size getElementIndex(UInt pairID) const;
96 
98  void setElementIndex(UInt pairID, Size e);
99 
101  const Compomer& getCompomer() const;
102 
104  void setCompomer(const Compomer& compomer);
105 
107  double getMassDiff() const;
108 
110  void setMassDiff(double mass_diff);
111 
113  double getEdgeScore() const;
114 
116  void setEdgeScore(double score);
117 
119  bool isActive() const;
120 
121  void setActive(const bool active);
122 
124 
126  virtual bool operator==(const ChargePair& i) const;
127 
129  virtual bool operator!=(const ChargePair& i) const;
130 
131 protected:
132 
144  double mass_diff_;
146  double score_;
149  };
150 
152  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const ChargePair& cons);
153 
154 } // namespace OpenMS
155 
Types.h
OpenMS::ChargePair::feature1_charge_
Int feature1_charge_
Assumed charge of the second feature.
Definition: ChargePair.h:140
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::ChargePair::feature0_charge_
Int feature0_charge_
Assumed charge of the first feature.
Definition: ChargePair.h:138
Compomer.h
OpenMS::Compomer
Holds information on an edge connecting two features from a (putative) charge ladder.
Definition: Compomer.h:58
OpenMS::Int
int Int
Signed integer type.
Definition: Types.h:102
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::ChargePair::feature1_index_
Size feature1_index_
Int of the second element within the FeatureMap.
Definition: ChargePair.h:136
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::UInt
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
OpenMS::Internal::operator==
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
OpenMS::ChargePair::feature0_index_
Size feature0_index_
Int of the first element within the FeatureMap.
Definition: ChargePair.h:134
OpenMS::ChargePair
Representation of a (putative) link between two Features, which stem from the same compound but have ...
Definition: ChargePair.h:57
OpenMS::ChargePair::is_active_
bool is_active_
was this pair realized by ILP?
Definition: ChargePair.h:148
OpenMS::ChargePair::score_
double score_
Score of this edge used in ILP.
Definition: ChargePair.h:146
OpenMS::ChargePair::mass_diff_
double mass_diff_
mass difference (after explanation by compomer)
Definition: ChargePair.h:144
OpenMS::ChargePair::compomer_
Compomer compomer_
Compomer that explains the mass difference.
Definition: ChargePair.h:142