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AccurateMassSearchResult Class Reference

#include <OpenMS/ANALYSIS/ID/AccurateMassSearchEngine.h>

Public Member Functions

 AccurateMassSearchResult ()
 Default constructor. More...
 
 ~AccurateMassSearchResult ()
 Default destructor. More...
 
 AccurateMassSearchResult (const AccurateMassSearchResult &)
 copy constructor More...
 
AccurateMassSearchResultoperator= (const AccurateMassSearchResult &)
 assignment operator More...
 
DoubleReal getAdductMass ()
 getter & setter methods More...
 
DoubleReal getAdductMass () const
 
void setAdductMass (const DoubleReal &)
 
DoubleReal getQueryMass ()
 
void setQueryMass (const DoubleReal &)
 
DoubleReal getFoundMass ()
 
void setFoundMass (const DoubleReal &)
 
DoubleReal getCharge ()
 
DoubleReal getCharge () const
 
void setCharge (const DoubleReal &)
 
DoubleReal getErrorPPM ()
 
void setErrorPPM (const DoubleReal &)
 
DoubleReal getObservedRT ()
 
DoubleReal getObservedRT () const
 
void setObservedRT (const DoubleReal &rt)
 
DoubleReal getObservedIntensity ()
 
DoubleReal getObservedIntensity () const
 
void setObservedIntensity (const DoubleReal &)
 
std::vector< DoubleRealgetIndividualIntensities ()
 
std::vector< DoubleRealgetIndividualIntensities () const
 
void setIndividualIntensities (const std::vector< DoubleReal > &)
 
Size getMatchingIndex ()
 
void setMatchingIndex (const Size &)
 
Size getSourceFeatureIndex ()
 
void setSourceFeatureIndex (const Size &)
 
String getFoundAdduct ()
 
String getFoundAdduct () const
 
void setFoundAdduct (const String &)
 
String getFormulaString ()
 
String getFormulaString () const
 
void setEmpiricalFormula (const String &)
 
std::vector< StringgetMatchingHMDBids ()
 
std::vector< StringgetMatchingHMDBids () const
 
void setMatchingHMDBids (const std::vector< String > &)
 
DoubleReal getIsotopesSimScore ()
 
DoubleReal getIsotopesSimScore () const
 
void setIsotopesSimScore (const DoubleReal &)
 
void outputResults () const
 

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< DoubleRealindividual_intensities_
 
Size matching_index_
 
Size source_feature_index_
 
String found_adduct_
 
String empirical_formula_
 
std::vector< Stringmatching_hmdb_ids_
 
DoubleReal isotopes_sim_score_
 

Constructor & Destructor Documentation

Default constructor.

Default destructor.

copy constructor

Member Function Documentation

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 ( )

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 )

Member Data Documentation

DoubleReal adduct_mass_
private

Stored information/results of DB query.

DoubleReal charge_
private
String empirical_formula_
private
DoubleReal error_ppm_
private
String found_adduct_
private
DoubleReal found_mass_
private
std::vector<DoubleReal> individual_intensities_
private
DoubleReal isotopes_sim_score_
private
std::vector<String> matching_hmdb_ids_
private
Size matching_index_
private
DoubleReal observed_intensity_
private
DoubleReal observed_rt_
private
DoubleReal query_mass_
private
Size source_feature_index_
private

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:26 using doxygen 1.8.5