OpenMS  3.0.0
ChromatogramPeak.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Andreas Bertsch $
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34 
35 #pragma once
36 
37 #include <OpenMS/CONCEPT/Types.h>
39 
40 #include <iosfwd>
41 #include <functional>
42 
43 namespace OpenMS
44 {
45 
53  class OPENMS_DLLAPI ChromatogramPeak
54  {
55 public:
60  enum {DIMENSION = 1};
63  typedef double IntensityType;
67  typedef double CoordinateType;
69 
74  inline ChromatogramPeak() :
76  position_(),
77  intensity_(0)
78  {}
79 
81  inline ChromatogramPeak(const ChromatogramPeak & p) :
82  position_(p.position_),
83  intensity_(p.intensity_)
84  {}
85 
87  inline ChromatogramPeak(const PositionType retention_time, const IntensityType intensity) :
88  position_(retention_time),
89  intensity_(intensity)
90  {}
91 
101  {}
103 
108 
110  inline IntensityType getIntensity() const { return intensity_; }
112  inline void setIntensity(IntensityType intensity) { intensity_ = intensity; }
113 
115  inline CoordinateType getRT() const
116  {
117  return position_[0];
118  }
119 
121  inline void setRT(CoordinateType rt)
122  {
123  position_[0] = rt;
124  }
125 
127  inline CoordinateType getPos() const
128  {
129  return position_[0];
130  }
131 
133  inline void setPos(CoordinateType pos)
134  {
135  position_[0] = pos;
136  }
137 
139  inline CoordinateType getMZ() const
140  {
141  return position_[0];
142  }
143 
145  inline void setMZ(CoordinateType rt)
146  {
147  position_[0] = rt;
148  }
149 
151  inline PositionType const & getPosition() const
152  {
153  return position_;
154  }
155 
158  {
159  return position_;
160  }
161 
163  inline void setPosition(PositionType const & position)
164  {
165  position_ = position;
166  }
167 
169 
172  {
173  if (this == &rhs) return *this;
174 
175  intensity_ = rhs.intensity_;
176  position_ = rhs.position_;
177 
178  return *this;
179  }
180 
182  inline bool operator==(const ChromatogramPeak & rhs) const
183  {
184 #pragma clang diagnostic push
185 #pragma clang diagnostic ignored "-Wfloat-equal"
186  return intensity_ == rhs.intensity_ && position_ == rhs.position_;
187 #pragma clang diagnostic pop
188  }
189 
191  inline bool operator!=(const ChromatogramPeak & rhs) const
192  {
193  return !(operator==(rhs));
194  }
195 
203  struct IntensityLess
205  {
206  inline bool operator()(ChromatogramPeak const & left, ChromatogramPeak const & right) const
207  {
208  return left.getIntensity() < right.getIntensity();
209  }
210 
211  inline bool operator()(ChromatogramPeak const & left, IntensityType right) const
212  {
213  return left.getIntensity() < right;
214  }
215 
216  inline bool operator()(IntensityType left, ChromatogramPeak const & right) const
217  {
218  return left < right.getIntensity();
219  }
220 
221  inline bool operator()(IntensityType left, IntensityType right) const
222  {
223  return left < right;
224  }
225 
226  };
227 
229  struct RTLess
230  {
231  inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
232  {
233  return left.getRT() < right.getPos();
234  }
235 
236  inline bool operator()(ChromatogramPeak const & left, CoordinateType right) const
237  {
238  return left.getRT() < right;
239  }
240 
241  inline bool operator()(CoordinateType left, ChromatogramPeak const & right) const
242  {
243  return left < right.getRT();
244  }
245 
246  inline bool operator()(CoordinateType left, CoordinateType right) const
247  {
248  return left < right;
249  }
250 
251  };
252 
255  {
256  inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
257  {
258  return left.getPosition() < right.getPosition();
259  }
260 
261  inline bool operator()(const ChromatogramPeak & left, const PositionType & right) const
262  {
263  return left.getPosition() < right;
264  }
265 
266  inline bool operator()(const PositionType & left, const ChromatogramPeak & right) const
267  {
268  return left < right.getPosition();
269  }
270 
271  inline bool operator()(const PositionType & left, const PositionType & right) const
272  {
273  return left < right;
274  }
275  };
277 protected:
282  };
283 
285  OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ChromatogramPeak & point);
286 
287 } // namespace OpenMS
288 
OpenMS::ChromatogramPeak::ChromatogramPeak
ChromatogramPeak(const ChromatogramPeak &p)
Copy constructor.
Definition: ChromatogramPeak.h:81
double
DPosition.h
Types.h
OpenMS::ChromatogramPeak::ChromatogramPeak
ChromatogramPeak(const PositionType retention_time, const IntensityType intensity)
Constructor with position and intensity.
Definition: ChromatogramPeak.h:87
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const ChromatogramPeak &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:256
OpenMS::ChromatogramPeak::operator=
ChromatogramPeak & operator=(const ChromatogramPeak &rhs)
Assignment operator.
Definition: ChromatogramPeak.h:171
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const PositionType &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:266
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(IntensityType left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:216
OpenMS::ChromatogramPeak::setPos
void setPos(CoordinateType pos)
Alias for setRT()
Definition: ChromatogramPeak.h:133
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(const ChromatogramPeak &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:231
OpenMS::ChromatogramPeak::getMZ
CoordinateType getMZ() const
Alias for getRT()
Definition: ChromatogramPeak.h:139
OpenMS::ChromatogramPeak::setIntensity
void setIntensity(IntensityType intensity)
Mutable access to the data point intensity (height)
Definition: ChromatogramPeak.h:112
OpenMS::ChromatogramPeak::position_
PositionType position_
The data point position.
Definition: ChromatogramPeak.h:279
OpenMS::ChromatogramPeak::getPosition
const PositionType & getPosition() const
Non-mutable access to the position.
Definition: ChromatogramPeak.h:151
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::ChromatogramPeak::~ChromatogramPeak
~ChromatogramPeak()
Destructor.
Definition: ChromatogramPeak.h:100
OpenMS::ChromatogramPeak::RTLess
Comparator by RT position.
Definition: ChromatogramPeak.h:229
OpenMS::ChromatogramPeak::getPos
CoordinateType getPos() const
Alias for getRT()
Definition: ChromatogramPeak.h:127
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(ChromatogramPeak const &left, CoordinateType right) const
Definition: ChromatogramPeak.h:236
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(CoordinateType left, CoordinateType right) const
Definition: ChromatogramPeak.h:246
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(IntensityType left, IntensityType right) const
Definition: ChromatogramPeak.h:221
OpenMS::ChromatogramPeak::PositionLess
Comparator by position. As this class has dimension 1, this is basically an alias for RTLess.
Definition: ChromatogramPeak.h:254
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const ChromatogramPeak &left, const PositionType &right) const
Definition: ChromatogramPeak.h:261
OpenMS::ChromatogramPeak
A 1-dimensional raw data point or peak for chromatograms.
Definition: ChromatogramPeak.h:53
OpenMS::ChromatogramPeak::PositionType
DPosition< 1 > PositionType
Position type.
Definition: ChromatogramPeak.h:65
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const PositionType &left, const PositionType &right) const
Definition: ChromatogramPeak.h:271
OpenMS::ChromatogramPeak::operator==
bool operator==(const ChromatogramPeak &rhs) const
Equality operator.
Definition: ChromatogramPeak.h:182
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS::DPosition< 1 >
OpenMS::ChromatogramPeak::getRT
CoordinateType getRT() const
Non-mutable access to RT.
Definition: ChromatogramPeak.h:115
OpenMS::ChromatogramPeak::setMZ
void setMZ(CoordinateType rt)
Alias for setRT()
Definition: ChromatogramPeak.h:145
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(ChromatogramPeak const &left, IntensityType right) const
Definition: ChromatogramPeak.h:211
OpenMS::Internal::operator==
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
OpenMS::ChromatogramPeak::intensity_
IntensityType intensity_
The data point intensity.
Definition: ChromatogramPeak.h:281
OpenMS::ChromatogramPeak::getIntensity
IntensityType getIntensity() const
Non-mutable access to the data point intensity (height)
Definition: ChromatogramPeak.h:110
OpenMS::ChromatogramPeak::setRT
void setRT(CoordinateType rt)
Mutable access to RT.
Definition: ChromatogramPeak.h:121
OpenMS::ChromatogramPeak::operator!=
bool operator!=(const ChromatogramPeak &rhs) const
Equality operator.
Definition: ChromatogramPeak.h:191
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(ChromatogramPeak const &left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:206
OpenMS::ChromatogramPeak::CoordinateType
double CoordinateType
Coordinate type.
Definition: ChromatogramPeak.h:67
OpenMS::ChromatogramPeak::getPosition
PositionType & getPosition()
Mutable access to the position.
Definition: ChromatogramPeak.h:157
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(CoordinateType left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:241
OpenMS::ChromatogramPeak::setPosition
void setPosition(PositionType const &position)
Mutable access to the position.
Definition: ChromatogramPeak.h:163
OpenMS::ChromatogramPeak::IntensityType
double IntensityType
Intensity type.
Definition: ChromatogramPeak.h:63