35 #ifndef OPENMS_DATASTRUCTURES_CHARGEPAIR_H
36 #define OPENMS_DATASTRUCTURES_CHARGEPAIR_H
84 feature0_index_(index0),
85 feature1_index_(index1),
86 feature0_charge_(charge0),
87 feature1_charge_(charge1),
89 mass_diff_(mass_diff),
97 feature0_index_(rhs.feature0_index_),
98 feature1_index_(rhs.feature1_index_),
99 feature0_charge_(rhs.feature0_charge_),
100 feature1_charge_(rhs.feature1_charge_),
101 compomer_(rhs.compomer_),
102 mass_diff_(rhs.mass_diff_),
104 is_active_(rhs.is_active_)
111 if (&rhs ==
this)
return *
this;
134 Int getCharge(
UInt pairID)
const
137 if (pairID == 0)
return feature0_charge_;
138 else return feature1_charge_;
144 if (pairID == 0) feature0_charge_ = e;
145 else feature1_charge_ = e;
151 if (pairID == 0)
return feature0_index_;
152 else return feature1_index_;
158 if (pairID == 0) feature0_index_ = e;
159 else feature1_index_ = e;
171 compomer_ = compomer;
183 mass_diff_ = mass_diff;
226 return !(this->operator==(i));
254 #endif // OPENMS_DATASTRUCTURES_CHARGEPAIR_H
bool is_active_
was this pair realized by ILP?
Definition: ChargePair.h:246
void setMassDiff(DoubleReal mass_diff)
Sets the mass difference.
Definition: ChargePair.h:181
DoubleReal getMassDiff() const
Returns the mass difference.
Definition: ChargePair.h:175
Size feature1_index_
Int of the second element within the FeatureMap.
Definition: ChargePair.h:234
void setCharge(UInt pairID, Int e)
Set the charge (for element 0 or 1)
Definition: ChargePair.h:142
std::ostream & operator<<(std::ostream &os, const ItraqQuantifier::ItraqQuantifierStats &stats)
Holds information on an edge connecting two features from a (putative) charge ladder.
Definition: Compomer.h:58
ChargePair(const Size &index0, const Size &index1, const Int &charge0, const Int &charge1, const Compomer &compomer, const DoubleReal &mass_diff, const bool active)
Constructor from map index, element index and Feature.
Definition: ChargePair.h:77
Representation of a (putative) link between two Features, which stem from the same compound but have ...
Definition: ChargePair.h:57
const Compomer & getCompomer() const
Returns the Id of the compomer that explains the mass difference.
Definition: ChargePair.h:163
Compomer compomer_
Compomer that explains the mass difference.
Definition: ChargePair.h:240
DoubleReal getEdgeScore() const
Returns the ILP edge score.
Definition: ChargePair.h:187
void setCompomer(const Compomer &compomer)
Set the compomer id.
Definition: ChargePair.h:169
bool isActive() const
is this pair realized?
Definition: ChargePair.h:199
void setActive(const bool active)
Definition: ChargePair.h:204
DoubleReal score_
Score of this edge used in ILP.
Definition: ChargePair.h:244
DoubleReal mass_diff_
mass difference (after explanation by compomer)
Definition: ChargePair.h:242
virtual bool operator!=(const ChargePair &i) const
Equality operator.
Definition: ChargePair.h:224
virtual bool operator==(const ChargePair &i) const
Equality operator.
Definition: ChargePair.h:212
Size getElementIndex(UInt pairID) const
Returns the element index (for element 0 or 1)
Definition: ChargePair.h:149
void setElementIndex(UInt pairID, Size e)
Set the element index (for element 0 or 1)
Definition: ChargePair.h:156
void setEdgeScore(DoubleReal score)
Sets the ILP edge score.
Definition: ChargePair.h:193
Int feature1_charge_
Assumed charge of the second feature.
Definition: ChargePair.h:238
Size feature0_index_
Int of the first element within the FeatureMap.
Definition: ChargePair.h:232
ChargePair & operator=(const ChargePair &rhs)
Assignment operator.
Definition: ChargePair.h:109
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Int feature0_charge_
Assumed charge of the first feature.
Definition: ChargePair.h:236
virtual ~ChargePair()
Destructor.
Definition: ChargePair.h:126
ChargePair(const ChargePair &rhs)
Copy constructor.
Definition: ChargePair.h:96
int Int
Signed integer type.
Definition: Types.h:100