35 #ifndef OPENMS_METADATA_PRECURSOR_H
36 #define OPENMS_METADATA_PRECURSOR_H
79 SIZE_OF_ACTIVATIONMETHOD
82 static const std::string NamesOfActivationMethod[SIZE_OF_ACTIVATIONMETHOD];
95 bool operator==(
const Precursor & rhs)
const;
97 bool operator!=(
const Precursor & rhs)
const;
100 const std::set<ActivationMethod> & getActivationMethods()
const;
102 std::set<ActivationMethod> & getActivationMethods();
104 void setActivationMethods(
const std::set<ActivationMethod> & activation_methods);
107 double getActivationEnergy()
const;
109 void setActivationEnergy(
double activation_energy);
120 double getIsolationWindowLowerOffset()
const;
122 void setIsolationWindowLowerOffset(
double bound);
133 double getIsolationWindowUpperOffset()
const;
135 void setIsolationWindowUpperOffset(
double bound);
138 Int getCharge()
const;
140 void setCharge(
Int charge);
143 std::vector<Int> & getPossibleChargeStates();
145 const std::vector<Int> & getPossibleChargeStates()
const;
147 void setPossibleChargeStates(
const std::vector<Int> & possible_charge_states);
153 (c == 0) ? c = 2 : c = charge_;
168 #endif // OPENMS_METADATA_PRECURSOR_H
double getUnchargedMass() const
Returns the uncharged mass of the precursor, if charge is unknown, i.e. 0 best guess is its doubly ch...
Definition: Precursor.h:150
Precursor meta information.
Definition: Precursor.h:56
double activation_energy_
Definition: Precursor.h:160
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
std::vector< Int > possible_charge_states_
Definition: Precursor.h:164
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
const double PROTON_MASS_U
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:55
Int charge_
Definition: Precursor.h:163
double window_low_
Definition: Precursor.h:161
double window_up_
Definition: Precursor.h:162
int Int
Signed integer type.
Definition: Types.h:96
std::set< ActivationMethod > activation_methods_
Definition: Precursor.h:159