libpappsomspp
Library for mass spectrometry
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39 #include "../../precision.h"
40 #include "../filters/savgolfilter.h"
41 #include "../../massspectrum/massspectrum.h"
97 bool removeZeroValDataPoints);
139 bool convolveWithNr =
false);
149 std::vector<pappso::pappso_double>
createBins();
150 std::vector<pappso::pappso_double>
153 QString
toString(
int offset = 0,
const QString &spacer = QString())
const;
bool isRemoveZeroValDataPoints() const
void setPrecision(pappso::PrecisionPtr precisionPtr)
std::vector< double > createArbitraryBins()
pappso::SavGolParams m_savGolParams
double pappso_double
A type definition for doubles.
std::shared_ptr< const MassSpectrum > MassSpectrumCstSPtr
void setMzShift(double value)
bool isApplyMzShift() const
void setGreatestMz(pappso::pappso_double value)
void setDecimalPlaces(int decimal_places)
void setApplySavGolFilter(bool applySavGolFilter)
void setRemoveZeroValDataPoints(bool removeOrNot=true)
BinningType
Type of binning when performing integrations to a mass spectrum.
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
QString toString(int offset=0, const QString &spacer=QString()) const
void setBinningType(BinningType binningType)
double getMzShift() const
BinningType m_binningType
void setSavGolParams(int nL=15, int nR=15, int m=4, int lD=0, bool convolveWithNr=false)
BinningType getBinningType() const
void setSmallestMz(pappso::pappso_double value)
std::map< BinningType, QString > binningTypeMap
Map relating the BinningType to a textual representation.
pappso::pappso_double getSmallestMz() const
bool hasValidMzRange() const
pappso::SavGolParams getSavGolParams() const
std::vector< pappso::pappso_double > createBins()
virtual ~MzIntegrationParams()
The MzIntegrationParams class provides the parameters definining how m/z !
static PrecisionPtr getDaltonInstance(pappso_double value)
get a Dalton precision pointer
Parameters for the Savitzky-Golay filter.
MzIntegrationParams & operator=(const MzIntegrationParams &other)
pappso::pappso_double m_smallestMz
int getDecimalPlaces() const
void setApplyMzShift(bool applyMzShift)
pappso::pappso_double m_mzShift
pappso::PrecisionPtr getPrecision() const
pappso::PrecisionPtr mp_precision
void reset()
Reset the instance to default values.
void updateGreatestMz(pappso::pappso_double value)
pappso::pappso_double getGreatestMz() const
void updateSmallestMz(pappso::pappso_double value)
pappso::pappso_double m_greatestMz
std::vector< double > createDataBasedBins(pappso::MassSpectrumCstSPtr massSpectrum)
bool m_removeZeroValDataPoints
bool isApplySavGolFilter() const