OpenMS  3.0.0
IMTypes.h
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34 
35 #pragma once
36 
38 #include <OpenMS/OpenMSConfig.h>
39 
40 #include <string>
41 
42 namespace OpenMS
43 {
44  class MSExperiment;
45  class MSSpectrum;
46 
48  enum class DriftTimeUnit
49  {
50  NONE,
51  MILLISECOND,
52  VSSC,
55  };
56 
58  OPENMS_DLLAPI extern const std::string NamesOfDriftTimeUnit[(size_t) DriftTimeUnit::SIZE_OF_DRIFTTIMEUNIT];
59 
62  OPENMS_DLLAPI DriftTimeUnit toDriftTimeUnit(const std::string& dtu_string);
63 
66  OPENMS_DLLAPI const std::string& toString(const DriftTimeUnit value);
67 
69  enum class IMFormat
70  {
71  NONE,
72  CONCATENATED,
74  MIXED,
76  };
78  OPENMS_DLLAPI extern const std::string NamesOfIMFormat[(size_t) IMFormat::SIZE_OF_IMFORMAT];
79 
82  OPENMS_DLLAPI IMFormat toIMFormat(const std::string& IM_format);
85  OPENMS_DLLAPI const std::string& toString(const IMFormat value);
86 
87  class OPENMS_DLLAPI IMTypes
88  {
89  public:
91  inline static constexpr double DRIFTTIME_NOT_SET = -1.0;
92 
97  static IMFormat determineIMFormat(const MSExperiment& exp);
98 
107  static IMFormat determineIMFormat(const MSSpectrum& spec);
108 
115  static DIM_UNIT fromIMUnit(const DriftTimeUnit from);
116  };
117 
118 };
119 
const std::string & toString(const DriftTimeUnit value)
DriftTimeUnit
Drift time unit for ion mobility.
Definition: IMTypes.h:48
const std::string NamesOfIMFormat[(size_t) IMFormat::SIZE_OF_IMFORMAT]
Names of IMFormat.
an MSExperiment contains both CONCATENATED and MULTIPLE_SPECTRA
Definition: IMTypes.h:87
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
DIM_UNIT
Definition: CommonEnums.h:45
DriftTimeUnit toDriftTimeUnit(const std::string &dtu_string)
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
ion mobility is recorded as multiple spectra per frame (i.e. has one IM annotation per spectrum) ...
IMFormat
Different ways to represent ion mobility data in a spectrum.
Definition: IMTypes.h:69
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
const std::string NamesOfDriftTimeUnit[(size_t) DriftTimeUnit::SIZE_OF_DRIFTTIMEUNIT]
Names of IM Units. Should be usable as axis annotation.
ion mobility frame is stacked in a single spectrum (i.e. has an IM float data array) ...
no ion mobility
volt-second per square centimeter (i.e. 1/K_0)
IMFormat toIMFormat(const std::string &IM_format)