#include <OpenMS/ANALYSIS/ID/MetaboliteSpectralMatching.h>
| String getCommonName |
( |
| ) |
const |
| Int getFoundPrecursorCharge |
( |
| ) |
const |
| double getFoundPrecursorMass |
( |
| ) |
const |
| String getInchiString |
( |
| ) |
const |
| double getMatchingScore |
( |
| ) |
const |
| Size getMatchingSpectrumIndex |
( |
| ) |
const |
| double getObservedPrecursorMass |
( |
| ) |
const |
| double getObservedPrecursorRT |
( |
| ) |
const |
| Size getObservedSpectrumIndex |
( |
| ) |
const |
| String getPrecursorAdduct |
( |
| ) |
const |
| String getPrimaryIdentifier |
( |
| ) |
const |
| String getSecondaryIdentifier |
( |
| ) |
const |
| String getSMILESString |
( |
| ) |
const |
| String getSumFormula |
( |
| ) |
const |
| void setCommonName |
( |
const String & |
| ) |
|
| void setFoundPrecursorCharge |
( |
const Int & |
| ) |
|
| void setFoundPrecursorMass |
( |
const double & |
| ) |
|
| void setInchiString |
( |
const String & |
| ) |
|
| void setMatchingScore |
( |
const double & |
| ) |
|
| void setMatchingSpectrumIndex |
( |
const Size & |
| ) |
|
| void setObservedPrecursorMass |
( |
const double & |
| ) |
|
| void setObservedPrecursorRT |
( |
const double & |
| ) |
|
| void setObservedSpectrumIndex |
( |
const Size & |
| ) |
|
| void setPrecursorAdduct |
( |
const String & |
| ) |
|
| void setPrimaryIdentifier |
( |
const String & |
| ) |
|
| void setSecondaryIdentifier |
( |
const String & |
| ) |
|
| void setSMILESString |
( |
const String & |
| ) |
|
| void setSumFormula |
( |
const String & |
| ) |
|
| Int found_precursor_charge_ |
|
private |
| Size matching_spectrum_idx_ |
|
private |
| double observed_precursor_mass_ |
|
private |
| Size observed_spectrum_idx_ |
|
private |