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OpenMS
2.6.0
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39 #include <boost/shared_ptr.hpp>
41 #include <OpenMS/OPENSWATHALGO/OpenSwathAlgoConfig.h>
66 struct OPENSWATHALGO_DLLAPI OSBinaryDataArray
116 defaultArrayLength(2),
117 binaryDataArrayPtrs(defaultArrayLength)
126 for (std::size_t i = 0; i < defaultArrayLength; ++i)
129 binaryDataArrayPtrs[i] = empty;
137 return binaryDataArrayPtrs[0];
143 binaryDataArrayPtrs[0] = data;
149 return binaryDataArrayPtrs[1];
155 binaryDataArrayPtrs[1] = data;
161 return binaryDataArrayPtrs;
167 return binaryDataArrayPtrs;
194 public std::binary_function<OSSpectrumMeta, OSSpectrumMeta, bool>
218 defaultArrayLength(2),
219 binaryDataArrayPtrs(defaultArrayLength)
228 for (std::size_t i = 0; i < defaultArrayLength; ++i)
231 binaryDataArrayPtrs[i] = empty;
240 return binaryDataArrayPtrs[0];
246 binaryDataArrayPtrs[0] = data;
252 return binaryDataArrayPtrs[1];
258 binaryDataArrayPtrs[1] = data;
268 for (
auto & bda : binaryDataArrayPtrs)
270 if (bda->description.find(
"Ion Mobility") == 0)
281 return binaryDataArrayPtrs;
287 return binaryDataArrayPtrs;
BinaryDataArrayPtr getMZArray() const
get m/z array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:238
boost::shared_ptr< SpectrumMeta > SpectrumMetaPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:204
void initvec()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:124
std::vector< BinaryDataArrayPtr > binaryDataArrayPtrs
list of binary data arrays.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:214
Definition: MRMScoring.h:49
const std::vector< BinaryDataArrayPtr > & getDataArrays() const
non-mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:159
boost::shared_ptr< ChromatogramMeta > ChromatogramMetaPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:95
std::size_t defaultArrayLength
default length of binary data arrays contained in this element.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:211
BinaryDataArrayPtr getDriftTimeArray() const
get drift time array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:262
void setTimeArray(BinaryDataArrayPtr data)
set time array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:141
OSSpectrum()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:217
void setMZArray(BinaryDataArrayPtr data)
set m/z array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:244
The structure that captures the generation of a peak list (including the underlying acquisitions)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:207
OSChromatogram()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:115
void setIntensityArray(BinaryDataArrayPtr data)
set intensity array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:256
std::vector< BinaryDataArrayPtr > binaryDataArrayPtrs
this attribute can optionally reference the 'id' of the appropriate dataProcessing.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:112
std::vector< BinaryDataArrayPtr > & getDataArrays()
mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:285
OSSpectrumMeta SpectrumMeta
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:203
std::vector< BinaryDataArrayPtr > & getDataArrays()
mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:165
void setIntensityArray(BinaryDataArrayPtr data)
set intensity array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:153
std::vector< double > data
this optional attribute may reference the 'id' attribute of the appropriate dataProcessing.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:73
std::string description
(optional) data description for non-standard arrays.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:76
const std::vector< BinaryDataArrayPtr > & getDataArrays() const
non-mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:279
The datastructures used by the OpenSwath interfaces.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:67
OSBinaryDataArray BinaryDataArray
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:78
boost::shared_ptr< BinaryDataArray > BinaryDataArrayPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:79
OSChromatogram Chromatogram
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:171
BinaryDataArrayPtr getIntensityArray()
get intensity array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:147
OSSpectrum Spectrum
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:291
BinaryDataArrayPtr getIntensityArray() const
get intensity array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:250
void initvec()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:226
A single chromatogram.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:98
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:292
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:172
std::size_t defaultArrayLength
default length of binary data arrays contained in this element.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:102
OSChromatogramMeta ChromatogramMeta
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:94
BinaryDataArrayPtr getTimeArray()
get time array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:135