36 #ifndef OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATORXLMS_H 37 #define OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATORXLMS_H 93 virtual void getCommonIonSpectrum(
PeakSpectrum & spectrum,
AASequence peptide,
Size link_pos,
bool frag_alpha,
int charge = 1,
Size link_pos_2 = 0)
const;
116 virtual void getXLinkIonSpectrum(
PeakSpectrum & spectrum,
AASequence peptide,
Size link_pos,
double precursor_mass,
bool frag_alpha,
int mincharge,
int maxcharge,
Size link_pos_2 = 0)
const;
119 void updateMembers_();
206 #endif // THEORETICALSPECTRUMGENERATORXLMS_H
A more convenient string class.
Definition: String.h:57
bool add_y_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:180
double c_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:194
bool add_b_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:179
Representation of a peptide/protein sequence.
Definition: AASequence.h:108
double pre_int_H2O_
Definition: TheoreticalSpectrumGeneratorXLMS.h:201
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double pre_int_NH3_
Definition: TheoreticalSpectrumGeneratorXLMS.h:202
bool add_abundant_immonium_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:190
Integer data array class.
Definition: DataArrays.h:52
double a_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:192
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
Generates theoretical spectra for cross-linked peptides.
Definition: TheoreticalSpectrumGeneratorXLMS.h:56
bool add_first_prefix_ion_
Definition: TheoreticalSpectrumGeneratorXLMS.h:185
bool add_a_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:181
bool add_losses_
Definition: TheoreticalSpectrumGeneratorXLMS.h:186
double x_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:195
double y_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:196
bool add_x_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:183
Int max_isotope_
Definition: TheoreticalSpectrumGeneratorXLMS.h:198
double pre_int_
Definition: TheoreticalSpectrumGeneratorXLMS.h:200
ResidueType
Definition: Residue.h:144
bool multiple_fragmentation_mode_
Definition: TheoreticalSpectrumGeneratorXLMS.h:191
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
double z_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:197
bool add_c_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:182
double rel_loss_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:199
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
String data array class.
Definition: DataArrays.h:58
bool add_precursor_peaks_
Definition: TheoreticalSpectrumGeneratorXLMS.h:189
bool add_isotopes_
Definition: TheoreticalSpectrumGeneratorXLMS.h:188
int Int
Signed integer type.
Definition: Types.h:103
bool add_z_ions_
Definition: TheoreticalSpectrumGeneratorXLMS.h:184
bool add_metainfo_
Definition: TheoreticalSpectrumGeneratorXLMS.h:187
double b_intensity_
Definition: TheoreticalSpectrumGeneratorXLMS.h:193