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MassAnalyzer.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Marc Sturm $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/CONCEPT/Types.h>
38 #include <OpenMS/METADATA/MetaInfoInterface.h>
39
40 namespace OpenMS
41 {
47 class OPENMS_DLLAPI MassAnalyzer :
48 public MetaInfoInterface
49 {
50 public:
52 enum AnalyzerType
53 {
54 ANALYZERNULL,
55 QUADRUPOLE,
56 PAULIONTRAP,
57 RADIALEJECTIONLINEARIONTRAP,
58 AXIALEJECTIONLINEARIONTRAP,
59 TOF,
60 SECTOR,
61 FOURIERTRANSFORM,
62 IONSTORAGE,
63 ESA,
64 IT,
65 SWIFT,
66 CYCLOTRON,
67 ORBITRAP,
68 LIT,
69 SIZE_OF_ANALYZERTYPE
70 };
72 static const std::string NamesOfAnalyzerType[SIZE_OF_ANALYZERTYPE];
73
79 enum ResolutionMethod
80 {
81 RESMETHNULL,
82 FWHM,
83 TENPERCENTVALLEY,
84 BASELINE,
85 SIZE_OF_RESOLUTIONMETHOD
86 };
88 static const std::string NamesOfResolutionMethod[SIZE_OF_RESOLUTIONMETHOD];
89
91 enum ResolutionType
92 {
93 RESTYPENULL,
94 CONSTANT,
95 PROPORTIONAL,
96 SIZE_OF_RESOLUTIONTYPE
97 };
99 static const std::string NamesOfResolutionType[SIZE_OF_RESOLUTIONTYPE];
100
102 enum ScanDirection
103 {
104 SCANDIRNULL,
105 UP,
106 DOWN,
107 SIZE_OF_SCANDIRECTION
108 };
110 static const std::string NamesOfScanDirection[SIZE_OF_SCANDIRECTION];
111
113 enum ScanLaw
114 {
115 SCANLAWNULL,
116 EXPONENTIAL,
117 LINEAR,
118 QUADRATIC,
119 SIZE_OF_SCANLAW
120 };
122 static const std::string NamesOfScanLaw[SIZE_OF_SCANLAW];
123
125 enum ReflectronState
126 {
127 REFLSTATENULL,
128 ON,
129 OFF,
130 NONE,
131 SIZE_OF_REFLECTRONSTATE
132 };
134 static const std::string NamesOfReflectronState[SIZE_OF_REFLECTRONSTATE];
135
137 MassAnalyzer();
139 MassAnalyzer(const MassAnalyzer &) = default;
141 MassAnalyzer(MassAnalyzer&&) = default;
143 ~MassAnalyzer();
144
146 MassAnalyzer & operator=(const MassAnalyzer&) = default;
148 MassAnalyzer& operator=(MassAnalyzer&&) & = default;
149
151 bool operator==(const MassAnalyzer & rhs) const;
153 bool operator!=(const MassAnalyzer & rhs) const;
154
156 AnalyzerType getType() const;
158 void setType(AnalyzerType type);
159
161 ResolutionMethod getResolutionMethod() const;
163 void setResolutionMethod(ResolutionMethod resolution_method);
164
166 ResolutionType getResolutionType() const;
168 void setResolutionType(ResolutionType resolution_type);
169
171 ScanDirection getScanDirection() const;
173 void setScanDirection(ScanDirection scan_direction);
174
176 ScanLaw getScanLaw() const;
178 void setScanLaw(ScanLaw scan_law);
179
181 ReflectronState getReflectronState() const;
183 void setReflectronState(ReflectronState reflecton_state);
184
190 double getResolution() const;
192 void setResolution(double resolution);
193
195 double getAccuracy() const;
197 void setAccuracy(double accuracy);
198
200 double getScanRate() const;
202 void setScanRate(double scan_rate);
203
205 double getScanTime() const;
207 void setScanTime(double scan_time);
208
210 double getTOFTotalPathLength() const;
212 void setTOFTotalPathLength(double TOF_total_path_length);
213
215 double getIsolationWidth() const;
217 void setIsolationWidth(double isolation_width);
218
220 Int getFinalMSExponent() const;
222 void setFinalMSExponent(Int final_MS_exponent);
223
225 double getMagneticFieldStrength() const;
227 void setMagneticFieldStrength(double magnetic_field_strength);
228
239 Int getOrder() const;
241 void setOrder(Int order);
242
243 protected:
244 AnalyzerType type_;
245 ResolutionMethod resolution_method_;
246 ResolutionType resolution_type_;
247 ScanDirection scan_direction_;
248 ScanLaw scan_law_;
249 ReflectronState reflectron_state_;
250 double resolution_;
251 double accuracy_;
252 double scan_rate_;
253 double scan_time_;
254 double TOF_total_path_length_;
255 double isolation_width_;
256 Int final_MS_exponent_;
257 double magnetic_field_strength_;
258 Int order_;
259 };
260 } // namespace OpenMS
261
OpenMS::MassAnalyzer::scan_rate_
double scan_rate_
Definition: MassAnalyzer.h:252
OpenMS::MassAnalyzer::resolution_
double resolution_
Definition: MassAnalyzer.h:250
OpenMS::MassAnalyzer::AXIALEJECTIONLINEARIONTRAP
Axial ejection linear ion trap.
Definition: MassAnalyzer.h:58
OpenMS::MassAnalyzer::CONSTANT
Constant.
Definition: MassAnalyzer.h:94
OpenMS::MassAnalyzer::type_
AnalyzerType type_
Definition: MassAnalyzer.h:244
OpenMS::MassAnalyzer::AnalyzerType
AnalyzerType
analyzer type
Definition: MassAnalyzer.h:52
OpenMS::MassAnalyzer::TOF_total_path_length_
double TOF_total_path_length_
Definition: MassAnalyzer.h:254
OpenMS::MassAnalyzer
Description of a mass analyzer (part of a MS Instrument)
Definition: MassAnalyzer.h:47
OpenMS::MassAnalyzer::scan_law_
ScanLaw scan_law_
Definition: MassAnalyzer.h:248
OpenMS::MassAnalyzer::resolution_type_
ResolutionType resolution_type_
Definition: MassAnalyzer.h:246
OpenMS::MassAnalyzer::QUADRATIC
Quadratic.
Definition: MassAnalyzer.h:118
OpenMS::MassAnalyzer::scan_time_
double scan_time_
Definition: MassAnalyzer.h:253
OpenMS::MassAnalyzer::magnetic_field_strength_
double magnetic_field_strength_
Definition: MassAnalyzer.h:257
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::MassAnalyzer::resolution_method_
ResolutionMethod resolution_method_
Definition: MassAnalyzer.h:245
OpenMS::MassAnalyzer::RESTYPENULL
Unknown.
Definition: MassAnalyzer.h:93
OpenMS::MassAnalyzer::isolation_width_
double isolation_width_
Definition: MassAnalyzer.h:255
OpenMS::MassAnalyzer::PAULIONTRAP
Quadrupole ion trap / Paul ion trap.
Definition: MassAnalyzer.h:56
Types.h
OpenMS::MassAnalyzer::ResolutionMethod
ResolutionMethod
resolution method
Definition: MassAnalyzer.h:79
OpenMS::MassAnalyzer::TENPERCENTVALLEY
Ten percent valley.
Definition: MassAnalyzer.h:83
OpenMS::MassAnalyzer::RADIALEJECTIONLINEARIONTRAP
Radial ejection linear ion trap.
Definition: MassAnalyzer.h:57
OpenMS::MassAnalyzer::SWIFT
Stored waveform inverse fourier transform.
Definition: MassAnalyzer.h:65
OpenMS::MassAnalyzer::ResolutionType
ResolutionType
Resolution type.
Definition: MassAnalyzer.h:91
OpenMS::MassAnalyzer::DOWN
Down.
Definition: MassAnalyzer.h:106
OpenMS::MassAnalyzer::UP
Up.
Definition: MassAnalyzer.h:105
OpenMS::MassAnalyzer::ANALYZERNULL
Unknown.
Definition: MassAnalyzer.h:54
OpenMS::MassAnalyzer::ESA
Electrostatic energy analyzer.
Definition: MassAnalyzer.h:63
OpenMS::MassAnalyzer::LIT
Linear ion trap.
Definition: MassAnalyzer.h:68
OpenMS::MassAnalyzer::scan_direction_
ScanDirection scan_direction_
Definition: MassAnalyzer.h:247
OpenMS::MassAnalyzer::RESMETHNULL
Unknown.
Definition: MassAnalyzer.h:81
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::MassAnalyzer::ScanDirection
ScanDirection
direction of scanning
Definition: MassAnalyzer.h:102
OpenMS::MassAnalyzer::order_
Int order_
Definition: MassAnalyzer.h:258
OpenMS::MassAnalyzer::LINEAR
Linear.
Definition: MassAnalyzer.h:117
OpenMS::MassAnalyzer::SECTOR
Magnetic sector.
Definition: MassAnalyzer.h:60
OpenMS::MassAnalyzer::ScanLaw
ScanLaw
Scan law.
Definition: MassAnalyzer.h:113
OpenMS::MassAnalyzer::FWHM
Full width at half max.
Definition: MassAnalyzer.h:82
OpenMS::MassAnalyzer::BASELINE
Baseline.
Definition: MassAnalyzer.h:84
OpenMS::MassAnalyzer::QUADRUPOLE
Quadrupole.
Definition: MassAnalyzer.h:55
OpenMS::MassAnalyzer::NONE
None.
Definition: MassAnalyzer.h:130
OpenMS::MassAnalyzer::CYCLOTRON
Cyclotron.
Definition: MassAnalyzer.h:66
OpenMS::MassAnalyzer::ORBITRAP
Orbitrap.
Definition: MassAnalyzer.h:67
OpenMS::MassAnalyzer::accuracy_
double accuracy_
Definition: MassAnalyzer.h:251
OpenMS::MassAnalyzer::SCANDIRNULL
Unknown.
Definition: MassAnalyzer.h:104
OpenMS::MassAnalyzer::EXPONENTIAL
Unknown.
Definition: MassAnalyzer.h:116
int
OpenMS::MassAnalyzer::IONSTORAGE
Ion storage.
Definition: MassAnalyzer.h:62
OpenMS::MassAnalyzer::ReflectronState
ReflectronState
Reflectron state.
Definition: MassAnalyzer.h:125
OpenMS::MassAnalyzer::FOURIERTRANSFORM
Fourier transform ion cyclotron resonance mass spectrometer.
Definition: MassAnalyzer.h:61
MetaInfoInterface.h
OpenMS::MassAnalyzer::final_MS_exponent_
Int final_MS_exponent_
Definition: MassAnalyzer.h:256
OpenMS::MassAnalyzer::IT
Ion trap.
Definition: MassAnalyzer.h:64
OpenMS::MassAnalyzer::PROPORTIONAL
Proportional.
Definition: MassAnalyzer.h:95
OpenMS::MassAnalyzer::reflectron_state_
ReflectronState reflectron_state_
Definition: MassAnalyzer.h:249
OpenMS::MassAnalyzer::SCANLAWNULL
Unknown.
Definition: MassAnalyzer.h:115
OpenMS::MetaInfoInterface
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition: MetaInfoInterface.h:60
OpenMS::MassAnalyzer::ON
On.
Definition: MassAnalyzer.h:128
OpenMS::MassAnalyzer::OFF
Off.
Definition: MassAnalyzer.h:129
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
OpenMS::MassAnalyzer::TOF
Time-of-flight.
Definition: MassAnalyzer.h:59
OpenMS::MassAnalyzer::REFLSTATENULL
Unknown.
Definition: MassAnalyzer.h:127