12 #ifndef __KOME_IO_MZML_MANAGER_H__
13 #define __KOME_IO_MZML_MANAGER_H__
66 bool exportDataSet(
const char* path,
67 kome::objects::DataSet& dataSet,
68 kome::core::Progress& progress,
69 kome::objects::SettingParameterValues* saveSettings
80 void exportDataSet( FILE* fp,
81 kome::objects::DataSet& dataSet,
82 kome::core::Progress& progress,
83 kome::objects::SettingParameterValues* saveSettings
93 static bool lessSpec( kome::objects::Spectrum* spec0, kome::objects::Spectrum* spec1 );
116 void writeFileContent( FILE* fp, std::vector< kome::objects::Sample* >& samples );
141 void writeSoftwareList( FILE* fp, std::vector< kome::objects::Sample* >& samples );
177 std::vector< kome::objects::Sample* >& samples,
178 std::vector< kome::objects::Spectrum* >& spectra,
179 std::vector< kome::objects::Chromatogram* >& chroms,
180 kome::core::Progress* specPrgs,
181 kome::core::Progress* chromPrgs,
182 kome::objects::SettingParameterValues* saveSettings
193 kome::objects::Spectrum& spec,
194 kome::objects::SettingParameterValues* saveSettings
205 kome::objects::Chromatogram& chrom,
206 kome::objects::SettingParameterValues* saveSettings
222 std::vector< kome::objects::Spectrum* >& spectra,
223 std::vector< kome::objects::Chromatogram* >& chroms
245 static double getMatchScore(
const char* s0,
int idx0,
const char* s1,
int idx1 );
259 #endif // __KOME_IO_MZML_MANAGER_H__
std::map< kome::objects::Chromatogram *, long long > m_chromIdxMap
static double getMatchScore(const char *s0, int idx0, const char *s1, int idx1)
gets match score
static bool lessSpec(kome::objects::Spectrum *spec0, kome::objects::Spectrum *spec1)
compare spectra to sort
void writeRun(FILE *fp, std::vector< kome::objects::Sample * > &samples, std::vector< kome::objects::Spectrum * > &spectra, std::vector< kome::objects::Chromatogram * > &chroms, kome::core::Progress *specPrgs, kome::core::Progress *chromPrgs, kome::objects::SettingParameterValues *saveSettings)
writes run tag
void writeInstrumentList(FILE *fp, std::vector< kome::objects::Sample * > &samples)
writes instrument list
std::map< kome::objects::Spectrum *, long long > m_specIdxMap
void writeChromatogram(FILE *fp, kome::objects::Chromatogram &chrom, kome::objects::SettingParameterValues *saveSettings)
writes chromatogram
void writeSourceFileList(FILE *fp, std::vector< kome::objects::Sample * > &samples)
writes source file list
void writeHeader(FILE *fp)
writes header
void init()
initializes variables
void writeFileContent(FILE *fp, std::vector< kome::objects::Sample * > &samples)
writes file content
virtual ~MzmlManager()
destructor
void writeIndexList(FILE *fp, std::vector< kome::objects::Spectrum * > &spectra, std::vector< kome::objects::Chromatogram * > &chroms)
writes index list
static double getSimilarityScore(const char *s0, const char *s1)
gets similarity score between two character strings
static MzmlManager & getInstance()
gets mzML IO management object
void writeFileDescription(FILE *fp, std::vector< kome::objects::Sample * > &samples)
writes file description
void writeReferenceableParamGroup(FILE *fp, const bool specFlg, const bool chromFlg)
writes referenceable parameters group
void writeSoftwareList(FILE *fp, std::vector< kome::objects::Sample * > &samples)
writes software list
void writeProcessingList(FILE *fp)
writes processing list
void writeSpectrum(FILE *fp, kome::objects::Spectrum &spec, kome::objects::SettingParameterValues *saveSettings)
writes spectrum