36 #ifndef OPENMS_ANALYSIS_ID_PROTONDISTRIBUTIONMODEL_H
37 #define OPENMS_ANALYSIS_ID_PROTONDISTRIBUTIONMODEL_H
129 std::vector<double> & n_term_intensities, std::vector<double> & c_term_intensities, FragmentationType type);
132 void setPeptideProtonDistribution(
const std::vector<double> & bb_charge,
const std::vector<double> & sc_charge);
153 Residue::ResidueType n_term_type, std::vector<double> & n_term_intensities, std::vector<double> & c_term_intensities, FragmentationType type);
156 void calcChargeStateIntensities_(
const AASequence & peptide,
const AASequence & n_term_ion,
const AASequence & c_term_ion,
Int charge,
Residue::ResidueType n_term_type,
double & n_term1,
double & c_term1,
double & n_term2,
double & c_term2, FragmentationType type);
159 void getLeftAndRightGBValues_(
const AASequence & peptide,
double & left_gb,
double & right_gb,
Size position);
175 #endif // OPENMS_ANALYSIS_ID_PROTONDISTRIBUTIONMODEL_H
Definition: Residue.h:372
std::vector< double > bb_charge_full_
Definition: ProtonDistributionModel.h:164
std::vector< double > sc_charge_
Definition: ProtonDistributionModel.h:161
std::vector< double > sc_charge_ion_n_term_
Definition: ProtonDistributionModel.h:165
A proton distribution model to calculate the proton distribution over charged peptides.
Definition: ProtonDistributionModel.h:71
Representation of a peptide/protein sequence.
Definition: AASequence.h:70
std::vector< double > sc_charge_full_
Definition: ProtonDistributionModel.h:163
std::vector< double > sc_charge_ion_c_term_
Definition: ProtonDistributionModel.h:167
std::vector< double > bb_charge_ion_n_term_
Definition: ProtonDistributionModel.h:166
Definition: ProtonDistributionModel.h:99
FragmentationType
the type of fragmentation
Definition: ProtonDistributionModel.h:96
double E_c_term_
Definition: ProtonDistributionModel.h:170
double E_n_term_
Definition: ProtonDistributionModel.h:171
ResidueType
Definition: Residue.h:359
std::vector< double > bb_charge_ion_c_term_
Definition: ProtonDistributionModel.h:168
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
int Int
Signed integer type.
Definition: Types.h:96
double E_
Definition: ProtonDistributionModel.h:169
std::vector< double > bb_charge_
Definition: ProtonDistributionModel.h:162