31 #include <QSqlDatabase>
34 #include "../../massspectrum/qualifiedmassspectrum.h"
35 #include "../../processing/filters/filterinterface.h"
94 getMassSpectrumCstSPtrByRawIndex(std::size_t raw_index);
100 std::size_t scanNum);
104 std::size_t getTotalNumberOfScans()
const;
108 std::size_t getTotalNumberOfPrecursors()
const;
114 std::vector<std::size_t> getPrecursorsFromMzRtCharge(
int charge,
119 unsigned int getMsLevelBySpectrumIndex(std::size_t spectrum_index);
122 getQualifiedMassSpectrumByRawIndex(std::size_t spectrum_index,
123 bool want_binary_data);
127 std::size_t ms2_index,
128 std::size_t precursor_index,
129 bool want_binary_data);
132 std::size_t ms2_index, std::size_t precursor_index,
bool want_binary_data);
146 void setMs2BuiltinCentroid(
bool centroid);
152 bool getMs2BuiltinCentroid()
const;
155 std::vector<std::size_t> getTimsMS1FrameIdRange(
double rt_begin,
156 double rt_end)
const;
164 std::pair<std::size_t, std::size_t>
165 getScanCoordinateFromRawIndex(std::size_t spectrum_index)
const;
167 std::size_t getRawIndexFromCoordinate(std::size_t frame_id,
168 std::size_t scan_num)
const;
170 QSqlDatabase openDatabaseConnection()
const;
196 std::vector<TimsXicStructure> extractXicListByPrecursorIds(
197 const std::vector<std::size_t> &precursor_id_list,
200 double rtRange)
const;
202 std::vector<std::size_t>
203 getMatchPrecursorIdByKo(std::vector<std::vector<double>> ids,
208 std::vector<std::size_t>
209 getClosestPrecursorIdByMz(std::vector<std::vector<double>> ids,
218 std::size_t m_cacheSize = 60;
227 bool m_builtinMs2Centroid =
true;