#include <OpenMS/ANALYSIS/ID/MetaboliteSpectralMatching.h>
◆ SpectralMatch() [1/2]
◆ ~SpectralMatch()
◆ SpectralMatch() [2/2]
◆ getCommonName()
String getCommonName |
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const |
◆ getFoundPrecursorCharge()
Int getFoundPrecursorCharge |
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const |
◆ getFoundPrecursorMass()
double getFoundPrecursorMass |
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const |
◆ getInchiString()
String getInchiString |
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const |
◆ getMatchingScore()
double getMatchingScore |
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const |
◆ getMatchingSpectrumIndex()
Size getMatchingSpectrumIndex |
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const |
◆ getObservedPrecursorMass()
double getObservedPrecursorMass |
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const |
◆ getObservedPrecursorRT()
double getObservedPrecursorRT |
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const |
◆ getObservedSpectrumIndex()
Size getObservedSpectrumIndex |
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const |
◆ getPrecursorAdduct()
String getPrecursorAdduct |
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const |
◆ getPrimaryIdentifier()
String getPrimaryIdentifier |
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const |
◆ getSecondaryIdentifier()
String getSecondaryIdentifier |
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const |
◆ getSMILESString()
String getSMILESString |
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const |
◆ getSumFormula()
String getSumFormula |
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const |
◆ operator=()
◆ setCommonName()
void setCommonName |
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const String & |
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◆ setFoundPrecursorCharge()
void setFoundPrecursorCharge |
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const Int & |
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◆ setFoundPrecursorMass()
void setFoundPrecursorMass |
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const double & |
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◆ setInchiString()
void setInchiString |
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const String & |
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◆ setMatchingScore()
void setMatchingScore |
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const double & |
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◆ setMatchingSpectrumIndex()
void setMatchingSpectrumIndex |
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const Size & |
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◆ setObservedPrecursorMass()
void setObservedPrecursorMass |
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const double & |
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◆ setObservedPrecursorRT()
void setObservedPrecursorRT |
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const double & |
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◆ setObservedSpectrumIndex()
void setObservedSpectrumIndex |
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const Size & |
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◆ setPrecursorAdduct()
void setPrecursorAdduct |
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const String & |
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◆ setPrimaryIdentifier()
void setPrimaryIdentifier |
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const String & |
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◆ setSecondaryIdentifier()
void setSecondaryIdentifier |
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const String & |
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◆ setSMILESString()
void setSMILESString |
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const String & |
| ) |
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◆ setSumFormula()
void setSumFormula |
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const String & |
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◆ common_name_
◆ found_precursor_charge_
Int found_precursor_charge_ |
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private |
◆ found_precursor_mass_
◆ inchi_string_
◆ matching_score_
◆ matching_spectrum_idx_
Size matching_spectrum_idx_ |
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private |
◆ observed_precursor_mass_
double observed_precursor_mass_ |
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private |
◆ observed_precursor_rt_
◆ observed_spectrum_idx_
Size observed_spectrum_idx_ |
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private |
◆ precursor_adduct_
◆ primary_id_
◆ secondary_id_
◆ smiles_string_
◆ sum_formula_