OpenMS  2.5.0
DigestionEnzymeProtein.h
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35 
36 #pragma once
37 
39 
40 namespace OpenMS
41 {
42 
48  class OPENMS_DLLAPI DigestionEnzymeProtein :
49  public DigestionEnzyme
50  {
51  public:
52 
56 
59 
62 
65 
67  explicit DigestionEnzymeProtein(const String& name,
68  const String& cleavage_regex,
69  const std::set<String>& synonyms = std::set<String>(),
70  String regex_description = "",
71  EmpiricalFormula n_term_gain = EmpiricalFormula("H"),
72  EmpiricalFormula c_term_gain = EmpiricalFormula("OH"),
73  String psi_id = "",
74  String xtandem_id = "",
75  Int comet_id = -1,
76  String crux_id = "",
77  Int msgf_id = -1,
78  Int omssa_id = -1);
79 
81  ~DigestionEnzymeProtein() override;
83 
87  DigestionEnzymeProtein& operator=(const DigestionEnzymeProtein&) = default;
89 
91  DigestionEnzymeProtein& operator=(DigestionEnzymeProtein&&) & = default;
93 
97  void setNTermGain(const EmpiricalFormula& value);
99 
101  EmpiricalFormula getNTermGain() const;
102 
104  void setCTermGain(const EmpiricalFormula& value);
105 
107  EmpiricalFormula getCTermGain() const;
108 
110  void setPSIID(const String& value);
111 
113  String getPSIID() const;
114 
116  void setXTandemID(const String& value);
117 
119  String getXTandemID() const;
120 
122  Int getCometID() const;
123 
125  void setCometID(Int value);
126 
128  String getCruxID() const;
129 
131  void setCruxID(const String& value);
132 
134  void setMSGFID(Int value);
135 
137  Int getMSGFID() const;
138 
140  void setOMSSAID(Int value);
141 
143  Int getOMSSAID() const;
144 
146 
150  bool operator==(const DigestionEnzymeProtein& enzyme) const;
152 
154  bool operator!=(const DigestionEnzymeProtein& enzyme) const;
155 
156  // Note: comparison operator is not inherited. TODO rename and make virtual
158  bool operator==(const String& cleavage_regex) const;
159 
161  bool operator!=(const String& cleavage_regex) const;
162 
164  bool operator<(const DigestionEnzymeProtein& enzyme) const;
166 
172  bool setValueFromFile(const String& key, const String& value) override;
173 
175  friend OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const DigestionEnzymeProtein& enzyme);
176 
177  protected:
179 
181 
183 
185 
187 
189 
191 
193 
194  };
195 
196  OPENMS_DLLAPI std::ostream& operator<<(std::ostream& os, const DigestionEnzymeProtein& enzyme);
197 
199 }
200 
OpenMS::DigestionEnzymeProtein::crux_id_
String crux_id_
Definition: DigestionEnzymeProtein.h:188
OpenMS::DigestionEnzymeProtein::psi_id_
String psi_id_
Definition: DigestionEnzymeProtein.h:182
OpenMS::String
A more convenient string class.
Definition: String.h:58
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::DigestionEnzymeProtein::comet_id_
Int comet_id_
Definition: DigestionEnzymeProtein.h:186
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Protease
DigestionEnzymeProtein Protease
Definition: DigestionEnzymeProtein.h:198
int
OpenMS::DigestionEnzymeProtein::c_term_gain_
EmpiricalFormula c_term_gain_
Definition: DigestionEnzymeProtein.h:180
OpenMS::DigestionEnzymeProtein
Representation of a digestion enzyme for proteins (protease)
Definition: DigestionEnzymeProtein.h:48
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::DigestionEnzymeProtein::omssa_id_
Int omssa_id_
Definition: DigestionEnzymeProtein.h:192
OpenMS::DigestionEnzymeProtein::msgf_id_
Int msgf_id_
Definition: DigestionEnzymeProtein.h:190
OpenMS::DigestionEnzymeProtein::xtandem_id_
String xtandem_id_
Definition: DigestionEnzymeProtein.h:184
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
OpenMS::DigestionEnzyme
Abstract base class for digestion enzymes.
Definition: DigestionEnzyme.h:52
OpenMS::EmpiricalFormula
Representation of an empirical formula.
Definition: EmpiricalFormula.h:82
OpenMS::DigestionEnzymeProtein::n_term_gain_
EmpiricalFormula n_term_gain_
Definition: DigestionEnzymeProtein.h:178
DigestionEnzyme.h