SpectralMatch#

class pyopenms.SpectralMatch#

Bases: object

Cython implementation of _SpectralMatch

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1SpectralMatch.html

__init__()#

Cython signature: void SpectralMatch()
Cython signature: void SpectralMatch(SpectralMatch &)

Methods

`__init__`	Cython signature: void SpectralMatch()
`getCommonName`	Cython signature: String getCommonName()
`getFoundPrecursorCharge`	Cython signature: int getFoundPrecursorCharge()
`getFoundPrecursorMass`	Cython signature: double getFoundPrecursorMass()
`getInchiString`	Cython signature: String getInchiString()
`getMatchingScore`	Cython signature: double getMatchingScore()
`getMatchingSpectrumIndex`	Cython signature: size_t getMatchingSpectrumIndex()
`getObservedPrecursorMass`	Cython signature: double getObservedPrecursorMass()
`getObservedPrecursorRT`	Cython signature: double getObservedPrecursorRT()
`getObservedSpectrumIndex`	Cython signature: size_t getObservedSpectrumIndex()
`getPrecursorAdduct`	Cython signature: String getPrecursorAdduct()
`getPrimaryIdentifier`	Cython signature: String getPrimaryIdentifier()
`getSMILESString`	Cython signature: String getSMILESString()
`getSecondaryIdentifier`	Cython signature: String getSecondaryIdentifier()
`getSumFormula`	Cython signature: String getSumFormula()
`setCommonName`	Cython signature: void setCommonName(String)
`setFoundPrecursorCharge`	Cython signature: void setFoundPrecursorCharge(int)
`setFoundPrecursorMass`	Cython signature: void setFoundPrecursorMass(double)
`setInchiString`	Cython signature: void setInchiString(String)
`setMatchingScore`	Cython signature: void setMatchingScore(double)
`setMatchingSpectrumIndex`	Cython signature: void setMatchingSpectrumIndex(size_t)
`setObservedPrecursorMass`	Cython signature: void setObservedPrecursorMass(double)
`setObservedPrecursorRT`	Cython signature: void setObservedPrecursorRT(double)
`setObservedSpectrumIndex`	Cython signature: void setObservedSpectrumIndex(size_t)
`setPrecursorAdduct`	Cython signature: void setPrecursorAdduct(String)
`setPrimaryIdentifier`	Cython signature: void setPrimaryIdentifier(String)
`setSMILESString`	Cython signature: void setSMILESString(String)
`setSecondaryIdentifier`	Cython signature: void setSecondaryIdentifier(String)
`setSumFormula`	Cython signature: void setSumFormula(String)

getCommonName()#: Cython signature: String getCommonName()

getFoundPrecursorCharge()#: Cython signature: int getFoundPrecursorCharge()

getFoundPrecursorMass()#: Cython signature: double getFoundPrecursorMass()

getInchiString()#: Cython signature: String getInchiString()

getMatchingScore()#: Cython signature: double getMatchingScore()

getMatchingSpectrumIndex()#: Cython signature: size_t getMatchingSpectrumIndex()

getObservedPrecursorMass()#: Cython signature: double getObservedPrecursorMass()

getObservedPrecursorRT()#: Cython signature: double getObservedPrecursorRT()

getObservedSpectrumIndex()#: Cython signature: size_t getObservedSpectrumIndex()

getPrecursorAdduct()#: Cython signature: String getPrecursorAdduct()

getPrimaryIdentifier()#: Cython signature: String getPrimaryIdentifier()

getSMILESString()#: Cython signature: String getSMILESString()

getSecondaryIdentifier()#: Cython signature: String getSecondaryIdentifier()

getSumFormula()#: Cython signature: String getSumFormula()

setCommonName()#: Cython signature: void setCommonName(String)

setFoundPrecursorCharge()#: Cython signature: void setFoundPrecursorCharge(int)

setFoundPrecursorMass()#: Cython signature: void setFoundPrecursorMass(double)

setInchiString()#: Cython signature: void setInchiString(String)

setMatchingScore()#: Cython signature: void setMatchingScore(double)

setMatchingSpectrumIndex()#: Cython signature: void setMatchingSpectrumIndex(size_t)

setObservedPrecursorMass()#: Cython signature: void setObservedPrecursorMass(double)

setObservedPrecursorRT()#: Cython signature: void setObservedPrecursorRT(double)

setObservedSpectrumIndex()#: Cython signature: void setObservedSpectrumIndex(size_t)

setPrecursorAdduct()#: Cython signature: void setPrecursorAdduct(String)

setPrimaryIdentifier()#: Cython signature: void setPrimaryIdentifier(String)

setSMILESString()#: Cython signature: void setSMILESString(String)

setSecondaryIdentifier()#: Cython signature: void setSecondaryIdentifier(String)

setSumFormula()#: Cython signature: void setSumFormula(String)