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TheoreticalSpectrumGenerator.h
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34 
35 #ifndef OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATOR_H
36 #define OPENMS_CHEMISTRY_THEORETICALSPECTRUMGENERATOR_H
37 
41 
42 namespace OpenMS
43 {
44  class AASequence;
45 
53  class OPENMS_DLLAPI TheoreticalSpectrumGenerator :
54  public DefaultParamHandler
55  {
56 public:
57 
63 
66 
70 
73 
77  virtual void getSpectrum(RichPeakSpectrum & spec, const AASequence & peptide, Int charge = 1) const;
79 
81  virtual void addPeaks(RichPeakSpectrum & spectrum, const AASequence & peptide, Residue::ResidueType res_type, Int charge = 1) const;
82 
84  virtual void addPrecursorPeaks(RichPeakSpectrum & spec, const AASequence & peptide, Int charge = 1) const;
85 
87  void addAbundantImmoniumIons(RichPeakSpectrum & spec) const;
89  };
90 }
91 
92 #endif
Generates theoretical spectra with various options.
Definition: TheoreticalSpectrumGenerator.h:53
Representation of a peptide/protein sequence.
Definition: AASequence.h:70
ResidueType
Definition: Residue.h:359
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
int Int
Signed integer type.
Definition: Types.h:96

OpenMS / TOPP release 2.0.0 Documentation generated on Wed Mar 30 2016 16:18:42 using doxygen 1.8.5