#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 |