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ChromatogramPeak.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Andreas Bertsch $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/CONCEPT/Types.h>
38 #include <OpenMS/DATASTRUCTURES/DPosition.h>
39
40 #include <ostream>
41 #include <functional>
42
43 namespace OpenMS
44 {
45
54 class OPENMS_DLLAPI ChromatogramPeak
55 {
56 public:
61 enum {DIMENSION = 1};
64 typedef double IntensityType;
66 typedef DPosition<1> PositionType;
68 typedef double CoordinateType;
70
75 inline ChromatogramPeak() :
77 position_(),
78 intensity_(0)
79 {}
80
82 inline ChromatogramPeak(const ChromatogramPeak & p) :
83 position_(p.position_),
84 intensity_(p.intensity_)
85 {}
86
88 inline ChromatogramPeak(const PositionType retention_time, const IntensityType intensity) :
89 position_(retention_time),
90 intensity_(intensity)
91 {}
92
101 ~ChromatogramPeak()
102 {}
104
109
111 inline IntensityType getIntensity() const { return intensity_; }
113 inline void setIntensity(IntensityType intensity) { intensity_ = intensity; }
114
116 inline CoordinateType getRT() const
117 {
118 return position_[0];
119 }
120
122 inline void setRT(CoordinateType rt)
123 {
124 position_[0] = rt;
125 }
126
128 inline CoordinateType getPos() const
129 {
130 return position_[0];
131 }
132
134 inline void setPos(CoordinateType pos)
135 {
136 position_[0] = pos;
137 }
138
140 inline CoordinateType getMZ() const
141 {
142 return position_[0];
143 }
144
146 inline void setMZ(CoordinateType rt)
147 {
148 position_[0] = rt;
149 }
150
152 inline PositionType const & getPosition() const
153 {
154 return position_;
155 }
156
158 inline PositionType & getPosition()
159 {
160 return position_;
161 }
162
164 inline void setPosition(PositionType const & position)
165 {
166 position_ = position;
167 }
168
170
172 inline ChromatogramPeak & operator=(const ChromatogramPeak & rhs)
173 {
174 if (this == &rhs) return *this;
175
176 intensity_ = rhs.intensity_;
177 position_ = rhs.position_;
178
179 return *this;
180 }
181
183 inline bool operator==(const ChromatogramPeak & rhs) const
184 {
185 #pragma clang diagnostic push
186 #pragma clang diagnostic ignored "-Wfloat-equal"
187 return intensity_ == rhs.intensity_ && position_ == rhs.position_;
188 #pragma clang diagnostic pop
189 }
190
192 inline bool operator!=(const ChromatogramPeak & rhs) const
193 {
194 return !(operator==(rhs));
195 }
196
204 struct IntensityLess :
206 std::binary_function<ChromatogramPeak, ChromatogramPeak, bool>
207 {
208 inline bool operator()(ChromatogramPeak const & left, ChromatogramPeak const & right) const
209 {
210 return left.getIntensity() < right.getIntensity();
211 }
212
213 inline bool operator()(ChromatogramPeak const & left, IntensityType right) const
214 {
215 return left.getIntensity() < right;
216 }
217
218 inline bool operator()(IntensityType left, ChromatogramPeak const & right) const
219 {
220 return left < right.getIntensity();
221 }
222
223 inline bool operator()(IntensityType left, IntensityType right) const
224 {
225 return left < right;
226 }
227
228 };
229
231 struct RTLess :
232 public std::binary_function<ChromatogramPeak, ChromatogramPeak, bool>
233 {
234 inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
235 {
236 return left.getRT() < right.getPos();
237 }
238
239 inline bool operator()(ChromatogramPeak const & left, CoordinateType right) const
240 {
241 return left.getRT() < right;
242 }
243
244 inline bool operator()(CoordinateType left, ChromatogramPeak const & right) const
245 {
246 return left < right.getRT();
247 }
248
249 inline bool operator()(CoordinateType left, CoordinateType right) const
250 {
251 return left < right;
252 }
253
254 };
255
257 struct PositionLess :
258 public std::binary_function<ChromatogramPeak, ChromatogramPeak, bool>
259 {
260 inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
261 {
262 return left.getPosition() < right.getPosition();
263 }
264
265 inline bool operator()(const ChromatogramPeak & left, const PositionType & right) const
266 {
267 return left.getPosition() < right;
268 }
269
270 inline bool operator()(const PositionType & left, const ChromatogramPeak & right) const
271 {
272 return left < right.getPosition();
273 }
274
275 inline bool operator()(const PositionType & left, const PositionType & right) const
276 {
277 return left < right;
278 }
279 };
281 protected:
283 PositionType position_;
285 IntensityType intensity_;
286 };
287
289 OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ChromatogramPeak & point);
290
291 } // namespace OpenMS
292
OpenMS::ChromatogramPeak::intensity_
IntensityType intensity_
The data point intensity.
Definition: ChromatogramPeak.h:285
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(const ChromatogramPeak &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:234
OpenMS::ChromatogramPeak::IntensityType
double IntensityType
Intensity type.
Definition: ChromatogramPeak.h:64
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(CoordinateType left, CoordinateType right) const
Definition: ChromatogramPeak.h:249
OpenMS::ChromatogramPeak
A 1-dimensional raw data point or peak for chromatograms.
Definition: ChromatogramPeak.h:54
OpenMS::ChromatogramPeak::getPos
CoordinateType getPos() const
Alias for getRT()
Definition: ChromatogramPeak.h:128
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(ChromatogramPeak const &left, CoordinateType right) const
Definition: ChromatogramPeak.h:239
OpenMS::ChromatogramPeak::position_
PositionType position_
The data point position.
Definition: ChromatogramPeak.h:283
OpenMS::ChromatogramPeak::PositionType
DPosition< 1 > PositionType
Position type.
Definition: ChromatogramPeak.h:66
OpenMS::ChromatogramPeak::getPosition
PositionType & getPosition()
Mutable access to the position.
Definition: ChromatogramPeak.h:158
seqan::position
Size< TNeedle >::Type position(const PatternAuxData< TNeedle > &dh)
Definition: AhoCorasickAmbiguous.h:561
OpenMS::ChromatogramPeak::setRT
void setRT(CoordinateType rt)
Mutable access to RT.
Definition: ChromatogramPeak.h:122
OpenMS::ChromatogramPeak::getRT
CoordinateType getRT() const
Non-mutable access to RT.
Definition: ChromatogramPeak.h:116
Types.h
OpenMS::ChromatogramPeak::~ChromatogramPeak
~ChromatogramPeak()
Destructor.
Definition: ChromatogramPeak.h:101
OpenMS::ChromatogramPeak::getPosition
PositionType const & getPosition() const
Non-mutable access to the position.
Definition: ChromatogramPeak.h:152
OpenMS::ChromatogramPeak::RTLess
Comparator by RT position.
Definition: ChromatogramPeak.h:231
OpenMS::ChromatogramPeak::ChromatogramPeak
ChromatogramPeak(const PositionType retention_time, const IntensityType intensity)
Constructor with position and intensity.
Definition: ChromatogramPeak.h:88
OpenMS::ChromatogramPeak::getMZ
CoordinateType getMZ() const
Alias for getRT()
Definition: ChromatogramPeak.h:140
OpenMS::ChromatogramPeak::operator=
ChromatogramPeak & operator=(const ChromatogramPeak &rhs)
Assignment operator.
Definition: ChromatogramPeak.h:172
OpenMS::ChromatogramPeak::ChromatogramPeak
ChromatogramPeak(const ChromatogramPeak &p)
Copy constructor.
Definition: ChromatogramPeak.h:82
OpenMS::ChromatogramPeak::setIntensity
void setIntensity(IntensityType intensity)
Mutable access to the data point intensity (height)
Definition: ChromatogramPeak.h:113
OpenMS::ChromatogramPeak::CoordinateType
double CoordinateType
Coordinate type.
Definition: ChromatogramPeak.h:68
DPosition.h
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const PositionType &left, const PositionType &right) const
Definition: ChromatogramPeak.h:275
OpenMS::operator<<
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(IntensityType left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:218
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(IntensityType left, IntensityType right) const
Definition: ChromatogramPeak.h:223
OpenMS::ChromatogramPeak::operator!=
bool operator!=(const ChromatogramPeak &rhs) const
Equality operator.
Definition: ChromatogramPeak.h:192
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(ChromatogramPeak const &left, IntensityType right) const
Definition: ChromatogramPeak.h:213
OpenMS::ChromatogramPeak::PositionLess
Comparator by position. As this class has dimension 1, this is basically an alias for RTLess...
Definition: ChromatogramPeak.h:257
OpenMS::ChromatogramPeak::setPos
void setPos(CoordinateType pos)
Alias for setRT()
Definition: ChromatogramPeak.h:134
OpenMS::DPosition< 1 >
double
OpenMS::ChromatogramPeak::setMZ
void setMZ(CoordinateType rt)
Alias for setRT()
Definition: ChromatogramPeak.h:146
OpenMS::ChromatogramPeak::getIntensity
IntensityType getIntensity() const
Non-mutable access to the data point intensity (height)
Definition: ChromatogramPeak.h:111
OpenMS::ChromatogramPeak::setPosition
void setPosition(PositionType const &position)
Mutable access to the position.
Definition: ChromatogramPeak.h:164
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const ChromatogramPeak &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:260
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const PositionType &left, const ChromatogramPeak &right) const
Definition: ChromatogramPeak.h:270
OpenMS::ChromatogramPeak::PositionLess::operator()
bool operator()(const ChromatogramPeak &left, const PositionType &right) const
Definition: ChromatogramPeak.h:265
OpenMS::ChromatogramPeak::operator==
bool operator==(const ChromatogramPeak &rhs) const
Equality operator.
Definition: ChromatogramPeak.h:183
OpenMS::ChromatogramPeak::RTLess::operator()
bool operator()(CoordinateType left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:244
OpenMS::ChromatogramPeak::IntensityLess::operator()
bool operator()(ChromatogramPeak const &left, ChromatogramPeak const &right) const
Definition: ChromatogramPeak.h:208
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806