Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::RealTimeSpectroscopy::Spectrum Class Reference
Collaboration diagram for Scine::Sparrow::RealTimeSpectroscopy::Spectrum:
Collaboration graph

Public Member Functions

 Spectrum (int size)
 Constructor initializing the number of data points in the spectrum. More...
 
 Spectrum (const Eigen::VectorXd &xData, const Eigen::VectorXd &yData)
 Constructor initializing the x and y points. More...
 
 Spectrum (const Eigen::VectorXd &xData, const Eigen::VectorXd &yData, std::pair< std::string, std::string > labels)
 
int size () const
 Getter for the number of (x,y) points in the spectrum.
 
const Eigen::VectorXd & getXData () const
 Gets the x data points in the spectrum.
 
const Eigen::VectorXd & getYData () const
 Gets the y data points in the spectrum.
 
double getXData (int point) const
 Gets the x data points in the spectrum.
 
double getYData (int point) const
 Gets the y data points in the spectrum.
 
const std::pair< std::string,
std::string > & 
getLabels () const
 
void setXData (const Eigen::VectorXd &xData)
 Changes the x data points in the spectrum. More...
 
void setYData (const Eigen::VectorXd &yData)
 Changes the y data points in the spectrum. More...
 
void setXLabel (std::string xLabel)
 Changes the label of the x axis.
 
void setYLabel (std::string yLabel)
 Changes the label of the y axis.
 

Constructor & Destructor Documentation

Scine::Sparrow::RealTimeSpectroscopy::Spectrum::Spectrum ( int  size)
inlineexplicit

Constructor initializing the number of data points in the spectrum.

Parameters
sizeThe number of (x,y) points in the spectrum.
Scine::Sparrow::RealTimeSpectroscopy::Spectrum::Spectrum ( const Eigen::VectorXd &  xData,
const Eigen::VectorXd &  yData 
)
inline

Constructor initializing the x and y points.

Parameters
xData
yData

Member Function Documentation

void Scine::Sparrow::RealTimeSpectroscopy::Spectrum::setXData ( const Eigen::VectorXd &  xData)
inline

Changes the x data points in the spectrum.

Exceptions
IfxData does not have the right dimension.
void Scine::Sparrow::RealTimeSpectroscopy::Spectrum::setYData ( const Eigen::VectorXd &  yData)
inline

Changes the y data points in the spectrum.

Exceptions
IfyData does not have the right dimension.

The documentation for this class was generated from the following file: