31 #include <QSqlDatabase>
34 #include "../../massspectrum/qualifiedmassspectrum.h"
35 #include "../../processing/filters/filterinterface.h"
95 getMassSpectrumCstSPtrByRawIndex(std::size_t raw_index);
101 std::size_t scanNum);
105 std::size_t getTotalNumberOfScans()
const;
109 std::size_t getTotalNumberOfPrecursors()
const;
115 std::vector<std::size_t> getPrecursorsFromMzRtCharge(
int charge,
120 unsigned int getMsLevelBySpectrumIndex(std::size_t spectrum_index);
123 getQualifiedMassSpectrumByRawIndex(std::size_t spectrum_index,
124 bool want_binary_data);
128 std::size_t ms2_index,
129 std::size_t precursor_index,
130 bool want_binary_data);
133 std::size_t ms2_index, std::size_t precursor_index,
bool want_binary_data);
147 void setMs2BuiltinCentroid(
bool centroid);
153 bool getMs2BuiltinCentroid()
const;
156 std::vector<std::size_t> getTimsMS1FrameIdRange(
double rt_begin,
157 double rt_end)
const;
165 std::pair<std::size_t, std::size_t>
166 getScanCoordinateFromRawIndex(std::size_t spectrum_index)
const;
168 std::size_t getRawIndexFromCoordinate(std::size_t frame_id,
169 std::size_t scan_num)
const;
171 QSqlDatabase openDatabaseConnection()
const;
197 std::vector<TimsXicStructure> extractXicListByPrecursorIds(
198 const std::vector<std::size_t> &precursor_id_list,
201 double rtRange)
const;
203 std::vector<std::size_t>
204 getMatchPrecursorIdByKo(std::vector<std::vector<double>> ids,
209 std::vector<std::size_t>
210 getClosestPrecursorIdByMz(std::vector<std::vector<double>> ids,
219 std::size_t m_cacheSize = 60;
228 bool m_builtinMs2Centroid =
true;