MassPeakShaper Class

Member Function Documentation

MassPeakShaper::MassPeakShaper()

Constructs a MassPeakShaper instance.

MassPeakShaper::MassPeakShaper(double mz, double intensity, const MassPeakShaperConfig &config)

Constructs a MassPeakShaper instance.

• mz: The peak centroid m/z value.
• intensity: The peak centroid intensity value.
• config: The configuration driving the mass peak shaping process.

MassPeakShaper::MassPeakShaper(const pappso::DataPoint &data_point, const MassPeakShaperConfig &config)

Constructs a MassPeakShaper instance.

• data_point: The data point representing the peak centroid.
• config: The configuration driving the mass peak shaping process.

MassPeakShaper::MassPeakShaper(const MassPeakShaper &other)

Constructs a MassPeakShaper instance as a copy of other.

[virtual noexcept] MassPeakShaper::~MassPeakShaper()

Destructs this MassPeakShaper instance.

int MassPeakShaper::computeGaussianPeakShape()

Computes the Gaussian peak shape of the peak centroid.

[static] pappso::Trace MassPeakShaper::computeGaussianPeakShape(double mz, double intensity, const MassPeakShaperConfig &config)

Computes the Gaussian peak shape of the peak centroid.

• mz: the peak centroid's m/z value.
• intensity: the peak centroid's intensity value.
• config: the configuration driving the peak shaping process.

Returns the pappso::Trace describing the peak shape.

int MassPeakShaper::computeLorentzianPeakShape()

Computes the Lorentzian peak shape of the peak centroid.

[static] pappso::Trace MassPeakShaper::computeLorentzianPeakShape(double mz, double intensity, const MassPeakShaperConfig &config)

Computes the Lorentzian peak shape of the peak centroid.

• mz: the peak centroid's m/z value.
• intensity: the peak centroid's intensity value.
• config: the configuration driving the peak shaping process.

Returns the pappso::Trace describing the peak shape.

int MassPeakShaper::computePeakShape()

Computes the peak shape of the peak centroid.

Returns the count of points in the peak shape.

[static] pappso::Trace MassPeakShaper::computePeakShape(double mz, double intensity, const MassPeakShaperConfig &config)

Computes the peak shape of the peak centroid.

• mz: the peak centroid's m/z value.
• intensity: the peak centroid's intensity value.
• config: the configuration driving the peak shaping process.

Returns the pappso::Trace describing the peak shape.

const MassPeakShaperConfig &MassPeakShaper::getConfig() const

Returns the configuration driving the peak shaping process.

const pappso::DataPoint &MassPeakShaper::getPeakCentroid() const

Returns the peak centroid data.

const pappso::Trace &MassPeakShaper::getTrace() const

Returns the peak shape as a pappso::Trace.

double MassPeakShaper::intensityAt(double mz, pappso::PrecisionPtr precision_p, bool &ok)

Returns the intensity of a data point in the member peak shape pappso::Trace (m_trace).

If the member pappso::Trace contains a data point having its x value equal to mz (comparison performed using tolerance precision_p), then return the intensity (y member) of that data point and set ok to true. Otherwise, return 0 and set ok to false.

void MassPeakShaper::setConfig(const MassPeakShaperConfig &config)

Sets the configuration driving the peak shaping process to config.

void MassPeakShaper::setPeakCentroid(const pappso::DataPoint &peak_centroid_data)

Sets the peak_centroid_data.

bool MassPeakShaper::shapeToFile(const QString &file_name)

Writes to file_name a string containing the member pappso::Trace data.

Returns true if successful, false otherwise.

See also shapetoString().

QString MassPeakShaper::shapetoString()

Returns a string with the data in the member pappso::Trace.