103 void readExperiment(
MSExperiment & exp,
bool meta_only =
false)
const;
112 void readSpectra(std::vector<MSSpectrum> & exp,
const std::vector<int> & indices,
bool meta_only =
false)
const;
121 void readChromatograms(std::vector<MSChromatogram> & exp,
const std::vector<int> & indices,
bool meta_only =
false)
const;
128 Size getNrSpectra()
const;
135 Size getNrChromatograms()
const;
145 void setConfig(
bool write_full_meta,
bool use_lossy_compression,
double linear_abs_mass_acc,
int sql_batch_size = 500)
147 write_full_meta_ = write_full_meta;
148 use_lossy_compression_ = use_lossy_compression;
149 linear_abs_mass_acc_ = linear_abs_mass_acc;
150 sql_batch_size_ = sql_batch_size;
161 std::vector<size_t> getSpectraIndicesbyRT(
double RT,
double deltaRT,
const std::vector<int> & indices)
const;
165 void populateChromatogramsWithData_(sqlite3 *db, std::vector<MSChromatogram>& chromatograms)
const;
167 void populateChromatogramsWithData_(sqlite3 *db, std::vector<MSChromatogram>& chromatograms,
const std::vector<int> & indices)
const;
169 void populateSpectraWithData_(sqlite3 *db, std::vector<MSSpectrum>& spectra)
const;
171 void populateSpectraWithData_(sqlite3 *db, std::vector<MSSpectrum>& spectra,
const std::vector<int> & indices)
const;
173 void prepareChroms_(sqlite3 *db, std::vector<MSChromatogram>& chromatograms)
const;
175 void prepareSpectra_(sqlite3 *db, std::vector<MSSpectrum>& spectra)
const;
202 void createIndices();
209 void writeSpectra(
const std::vector<MSSpectrum>& spectra);
216 void writeChromatograms(
const std::vector<MSChromatogram>& chroms);
226 void writeRunLevelInformation(
const MSExperiment & exp,
bool write_full_meta,
int run_id);
230 void executeBlobBind_(sqlite3 *db,
String& prepare_statement, std::vector<String>& data);
232 void executeSql_(sqlite3 *db,
const std::stringstream& statement);
234 sqlite3* openDB()
const;
void setConfig(bool write_full_meta, bool use_lossy_compression, double linear_abs_mass_acc, int sql_batch_size=500)
Set file configuration.
Definition: MzMLSqliteHandler.h:145
A more convenient string class.
Definition: String.h:57
Int run_id_
Definition: MzMLSqliteHandler.h:249
bool use_lossy_compression_
Definition: MzMLSqliteHandler.h:251
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
String filename_
Definition: MzMLSqliteHandler.h:237
Int chrom_id_
Definition: MzMLSqliteHandler.h:248
double write_full_meta_
Definition: MzMLSqliteHandler.h:253
Int spec_id_
Definition: MzMLSqliteHandler.h:247
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
double linear_abs_mass_acc_
Definition: MzMLSqliteHandler.h:252
int sql_batch_size_
Definition: MzMLSqliteHandler.h:254
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Sqlite handler for storing spectra and chromatograms in sqMass format.
Definition: MzMLSqliteHandler.h:77
int Int
Signed integer type.
Definition: Types.h:102