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);
109 void setActivationEnergy(
DoubleReal activation_energy);
112 DoubleReal getIsolationWindowLowerOffset()
const;
114 void setIsolationWindowLowerOffset(
DoubleReal bound);
117 DoubleReal getIsolationWindowUpperOffset()
const;
119 void setIsolationWindowUpperOffset(
DoubleReal bound);
122 Int getCharge()
const;
124 void setCharge(
Int charge);
127 std::vector<Int> & getPossibleChargeStates();
129 const std::vector<Int> & getPossibleChargeStates()
const;
131 void setPossibleChargeStates(
const std::vector<Int> & possible_charge_states);
137 (c == 0) ? c = 2 : c = charge_;
152 #endif // OPENMS_METADATA_PRECURSOR_H
Plasma desorption.
Definition: Precursor.h:68
DoubleReal 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:134
DoubleReal window_low_
Definition: Precursor.h:145
Precursor meta information.
Definition: Precursor.h:56
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
std::vector< Int > possible_charge_states_
Definition: Precursor.h:148
High-energy collision-induced dissociation.
Definition: Precursor.h:74
Surface-induced dissociation.
Definition: Precursor.h:69
Blackbody infrared radiative dissociation.
Definition: Precursor.h:70
const double PROTON_MASS_U
Electron transfer dissociation.
Definition: Precursor.h:77
Collision-induced dissociation.
Definition: Precursor.h:66
Pulsed q dissociation.
Definition: Precursor.h:78
DoubleReal window_up_
Definition: Precursor.h:146
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:55
Photodissociation.
Definition: Precursor.h:76
Low-energy collision-induced dissociation.
Definition: Precursor.h:75
Infrared multiphoton dissociation.
Definition: Precursor.h:72
DoubleReal activation_energy_
Definition: Precursor.h:144
Int charge_
Definition: Precursor.h:147
Post-source decay.
Definition: Precursor.h:67
ActivationMethod
Method of activation.
Definition: Precursor.h:64
Sustained off-resonance irradiation.
Definition: Precursor.h:73
int Int
Signed integer type.
Definition: Types.h:100
std::set< ActivationMethod > activation_methods_
Definition: Precursor.h:143
Electron capture dissociation.
Definition: Precursor.h:71