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)
128 BinaryDataArrayPtr empty(
new BinaryDataArray);
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)
230 BinaryDataArrayPtr empty(
new BinaryDataArray);
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;
boost::shared_ptr< ChromatogramMeta > ChromatogramMetaPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:95
OSSpectrum()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:217
void setTimeArray(BinaryDataArrayPtr data)
set time array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:141
BinaryDataArrayPtr getIntensityArray() const
get intensity array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:250
std::vector< BinaryDataArrayPtr > & getDataArrays()
mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:165
BinaryDataArrayPtr getTimeArray()
get time array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:135
The datastructures used by the OpenSwath interfaces.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:67
boost::shared_ptr< BinaryDataArray > BinaryDataArrayPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:79
Definition: MRMScoring.h:49
void setMZArray(BinaryDataArrayPtr data)
set m/z array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:244
OSSpectrumMeta()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:187
std::vector< BinaryDataArrayPtr > & getDataArrays()
mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:285
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
OSChromatogramMeta ChromatogramMeta
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:94
OSChromatogramMeta()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:88
const std::vector< BinaryDataArrayPtr > & getDataArrays() const
non-mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:159
std::string id
a unique identifier for this spectrum.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:181
OSChromatogram()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:115
The structure that captures the generation of a peak list (including the underlying acquisitions) ...
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:207
A single chromatogram.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:98
boost::shared_ptr< SpectrumMeta > SpectrumMetaPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:204
std::size_t index
the zero-based, consecutive index of the chromatogram in the ChromatogramList.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:85
void initvec()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:124
std::vector< BinaryDataArrayPtr > binaryDataArrayPtrs
this attribute can optionally reference the 'id' of the appropriate dataProcessing.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:112
void initvec()
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:226
void setIntensityArray(BinaryDataArrayPtr data)
set intensity array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:256
std::vector< BinaryDataArrayPtr > binaryDataArrayPtrs
list of binary data arrays.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:214
std::string id
a unique identifier for this chromatogram.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:87
BinaryDataArrayPtr getIntensityArray()
get intensity array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:147
std::string description
(optional) data description for non-standard arrays.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:76
int ms_level
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:185
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:172
size_t index
the zero-based, consecutive index of the spectrum in the SpectrumList.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:178
OSSpectrum Spectrum
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:291
Comparator for the retention time.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:193
Identifying information for a chromatogram.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:82
bool operator()(const OSSpectrumMeta &a, const OSSpectrumMeta &b) const
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:196
OSChromatogram Chromatogram
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:171
BinaryDataArrayPtr getMZArray() const
get m/z array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:238
OSSpectrumMeta SpectrumMeta
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:203
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:292
BinaryDataArrayPtr getDriftTimeArray() const
get drift time array (may be null)
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:262
std::size_t defaultArrayLength
default length of binary data arrays contained in this element.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:102
Identifying information for a spectrum.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:175
const std::vector< BinaryDataArrayPtr > & getDataArrays() const
non-mutable access to the underlying data arrays
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:279
std::size_t defaultArrayLength
default length of binary data arrays contained in this element.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:211
void setIntensityArray(BinaryDataArrayPtr data)
set intensity array
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:153
double RT
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:183
OSBinaryDataArray BinaryDataArray
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:78