libXpertMassCore and libXpertMassGui Developer Documentation
  • libXpertMassCore
  • CubicSplineModel
  • MsXpS::libXpertMassCore::Processing::CubicSplineModel Class

    class MsXpS::libXpertMassCore::Processing::CubicSplineModel

    The CubicSplineModel struct provides a cubic spline model of a mass spectrometric data peak. More...

    Header: #include <MsXpS/libXpertMassCore/Processing/CubicSplineModel.hpp>

    Public Functions

    CubicSplineModel()
    CubicSplineModel(const QMap<double, double> &x_y_values_map)
    CubicSplineModel(const QList<double> &x_values, const QList<double> &y_values)
    CubicSplineModel(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)
    virtual ~CubicSplineModel()
    MsXpS::libXpertMassCore::Processing::CubicSplineModel *clone(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)
    double derivative(const double x_value) const
    double derivatives(const double x_value, unsigned int order) const
    double evalSplineAt(double x_value) const
    const QList<double> &getKnots() const
    void setup(const QList<double> &x_values, const QList<double> &y_values)
    MsXpS::libXpertMassCore::Processing::CubicSplineModel &operator=(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)

    Detailed Description

    The spline model is used to interpolate the peak shape between discrete data points, allowing for sub-sampling resolution. This is particularly useful for the centroidation of mass peaks.

    Member Function Documentation

    CubicSplineModel::CubicSplineModel()

    Constructs a CubicSplineModel instance.

    Because no spectral data are provided, the setup() call does not happen and the member data are not initialized.

    [explicit] CubicSplineModel::CubicSplineModel(const QMap<double, double> &x_y_values_map)

    Constructs a CubicSplineModel uninitialized instance with input data x_y_values_map.

    Delegates the construction to CubicSplineModel(const QList<double> &x_values, const QList<double> &y_values).

    See also CubicSplineModel(const QList<double> &x_values, const QList<double> &y_values).

    [explicit] CubicSplineModel::CubicSplineModel(const QList<double> &x_values, const QList<double> &y_values)

    Constructs a CubicSplineModel instance with input data x_values and y_values.

    The x_values (m/z) values need to be sorted in increasing order.

    setup() is called on the provided data for the initialization of member data.

    See also setup().

    CubicSplineModel::CubicSplineModel(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)

    Constructs a CubicSplineModel using other as a template.

    [virtual noexcept] CubicSplineModel::~CubicSplineModel()

    Destructs this instance.

    MsXpS::libXpertMassCore::Processing::CubicSplineModel *CubicSplineModel::clone(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)

    Heap-allocates a new CubicSplineModel using other as a template and returns it.

    Member data are copied deeply.

    double CubicSplineModel::derivative(const double x_value) const

    Calculates the derivative at x-axis point x_value and returns it.

    The derivative order is 1.

    double CubicSplineModel::derivatives(const double x_value, unsigned int order) const

    Calculates the derivative at x-axis point x_value with order order and returns it.

    double CubicSplineModel::evalSplineAt(double x_value) const

    Evaluates the spline curve at x-axis value x_value and returns the evaluation value.

    const QList<double> &CubicSplineModel::getKnots() const

    Returns the member m_knots.

    void CubicSplineModel::setup(const QList<double> &x_values, const QList<double> &y_values)

    Sets up this instance by looking into the x_values (m/z) and y_values (intensity).

    The member data are derived from looking into the data passed to the function.

    MsXpS::libXpertMassCore::Processing::CubicSplineModel &CubicSplineModel::operator=(const MsXpS::libXpertMassCore::Processing::CubicSplineModel &other)

    Initializes this instance using other as a template and returns a reference to itself.