35 #ifndef OPENMS_DATASTRUCTURES_COMPOMER_H
36 #define OPENMS_DATASTRUCTURES_COMPOMER_H
62 enum SIDE {LEFT, RIGHT, BOTH};
88 bool isConflicting(
const Compomer & cmp,
UInt side_this,
UInt side_other)
const;
91 void setID(
const Size &
id);
93 const Size & getID()
const;
98 const Int & getNetCharge()
const;
104 const Int & getPositiveCharges()
const;
107 const Int & getNegativeCharges()
const;
116 String getAdductsAsString()
const;
123 bool isSingleAdduct(
Adduct & a,
const UInt side)
const;
154 friend OPENMS_DLLAPI
bool operator<(
const Compomer & c1,
const Compomer & c2);
157 friend OPENMS_DLLAPI std::ostream &
operator<<(std::ostream & os,
const Compomer & cmp);
160 friend OPENMS_DLLAPI
bool operator==(
const Compomer & a,
const Compomer & b);
177 #endif //OPENMS_DATASTRUCTURES_COMPOMER_H
CompomerComponents cmp_
Definition: Compomer.h:164
Int neg_charges_
Definition: Compomer.h:168
A more convenient string class.
Definition: String.h:56
std::vector< CompomerSide > CompomerComponents
adducts and their abundance etc
Definition: Compomer.h:65
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
Int net_charge_
Definition: Compomer.h:165
DoubleReal log_p_
Definition: Compomer.h:169
Map< String, Adduct > CompomerSide
Definition: Compomer.h:64
Size id_
Definition: Compomer.h:171
DoubleReal mass_
Definition: Compomer.h:166
SIDE
side of compomer (LEFT ^ substract; RIGHT ^ add)
Definition: Compomer.h:62
String list.
Definition: StringList.h:56
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Int pos_charges_
Definition: Compomer.h:167
DoubleReal rt_shift_
Definition: Compomer.h:170
int Int
Signed integer type.
Definition: Types.h:100
Map class based on the STL map (containing serveral convenience functions)
Definition: Map.h:50