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