35 #ifndef OPENMS_DATASTRUCTURES_CHARGEPAIR_H 36 #define OPENMS_DATASTRUCTURES_CHARGEPAIR_H 40 #include <OpenMS/OpenMSConfig.h> 73 const double& mass_diff,
89 Int getCharge(
UInt pairID)
const;
93 void setCharge(
UInt pairID,
Int e);
96 Size getElementIndex(
UInt pairID)
const;
99 void setElementIndex(
UInt pairID,
Size e);
102 const Compomer& getCompomer()
const;
105 void setCompomer(
const Compomer& compomer);
108 double getMassDiff()
const;
111 void setMassDiff(
double mass_diff);
114 double getEdgeScore()
const;
117 void setEdgeScore(
double score);
120 bool isActive()
const;
122 void setActive(
const bool active);
157 #endif // OPENMS_DATASTRUCTURES_CHARGEPAIR_H bool is_active_
was this pair realized by ILP?
Definition: ChargePair.h:149
Size feature1_index_
Int of the second element within the FeatureMap.
Definition: ChargePair.h:137
unsigned int UInt
Unsigned integer type.
Definition: Types.h:95
double score_
Score of this edge used in ILP.
Definition: ChargePair.h:147
Holds information on an edge connecting two features from a (putative) charge ladder.
Definition: Compomer.h:59
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
Representation of a (putative) link between two Features, which stem from the same compound but have ...
Definition: ChargePair.h:58
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Compomer compomer_
Compomer that explains the mass difference.
Definition: ChargePair.h:143
double mass_diff_
mass difference (after explanation by compomer)
Definition: ChargePair.h:145
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
Int feature1_charge_
Assumed charge of the second feature.
Definition: ChargePair.h:141
Size feature0_index_
Int of the first element within the FeatureMap.
Definition: ChargePair.h:135
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
Int feature0_charge_
Assumed charge of the first feature.
Definition: ChargePair.h:139
int Int
Signed integer type.
Definition: Types.h:103