#include <OpenMS/ANALYSIS/ID/AccurateMassSearchEngine.h>
Private Attributes | |
DoubleReal | adduct_mass_ |
Stored information/results of DB query. More... | |
DoubleReal | query_mass_ |
DoubleReal | found_mass_ |
DoubleReal | charge_ |
DoubleReal | error_ppm_ |
DoubleReal | observed_rt_ |
DoubleReal | observed_intensity_ |
std::vector< DoubleReal > | individual_intensities_ |
Size | matching_index_ |
Size | source_feature_index_ |
String | found_adduct_ |
String | empirical_formula_ |
std::vector< String > | matching_hmdb_ids_ |
DoubleReal | isotopes_sim_score_ |
Default constructor.
Default destructor.
AccurateMassSearchResult | ( | const AccurateMassSearchResult & | ) |
copy constructor
DoubleReal getAdductMass | ( | ) |
getter & setter methods
DoubleReal getAdductMass | ( | ) | const |
DoubleReal getCharge | ( | ) |
DoubleReal getCharge | ( | ) | const |
DoubleReal getErrorPPM | ( | ) |
String getFormulaString | ( | ) |
String getFormulaString | ( | ) | const |
String getFoundAdduct | ( | ) |
String getFoundAdduct | ( | ) | const |
DoubleReal getFoundMass | ( | ) |
std::vector<DoubleReal> getIndividualIntensities | ( | ) |
std::vector<DoubleReal> getIndividualIntensities | ( | ) | const |
DoubleReal getIsotopesSimScore | ( | ) |
DoubleReal getIsotopesSimScore | ( | ) | const |
std::vector<String> getMatchingHMDBids | ( | ) |
std::vector<String> getMatchingHMDBids | ( | ) | const |
Size getMatchingIndex | ( | ) |
DoubleReal getObservedIntensity | ( | ) |
DoubleReal getObservedIntensity | ( | ) | const |
DoubleReal getObservedRT | ( | ) |
DoubleReal getObservedRT | ( | ) | const |
DoubleReal getQueryMass | ( | ) |
Size getSourceFeatureIndex | ( | ) |
AccurateMassSearchResult& operator= | ( | const AccurateMassSearchResult & | ) |
assignment operator
void outputResults | ( | ) | const |
void setAdductMass | ( | const DoubleReal & | ) |
void setCharge | ( | const DoubleReal & | ) |
void setEmpiricalFormula | ( | const String & | ) |
void setErrorPPM | ( | const DoubleReal & | ) |
void setFoundAdduct | ( | const String & | ) |
void setFoundMass | ( | const DoubleReal & | ) |
void setIndividualIntensities | ( | const std::vector< DoubleReal > & | ) |
void setIsotopesSimScore | ( | const DoubleReal & | ) |
void setMatchingHMDBids | ( | const std::vector< String > & | ) |
void setMatchingIndex | ( | const Size & | ) |
void setObservedIntensity | ( | const DoubleReal & | ) |
void setObservedRT | ( | const DoubleReal & | rt | ) |
void setQueryMass | ( | const DoubleReal & | ) |
void setSourceFeatureIndex | ( | const Size & | ) |
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Stored information/results of DB query.
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OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:26 using doxygen 1.8.5 |