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