Chemical Data Processing Library C++ API - Version 1.4.0
Public Member Functions | List of all members
CDPL::Shape::GaussianShape::Element Class Reference

Data structure representing a single sphere of the Gaussian shape, characterized by a position, radius, hardness and color. More...

#include <GaussianShape.hpp>

Public Member Functions

 Element (const Math::Vector3D &pos, double radius, std::size_t color=0, double hardness=2.7)
 Constructs an Element with the given attributes. More...
 
const Math::Vector3DgetPosition () const
 Returns the position of the sphere center. More...
 
void setPosition (const Math::Vector3D &pos)
 Sets the position of the sphere center. More...
 
double getRadius () const
 Returns the sphere radius. More...
 
void setRadius (double radius)
 Sets the sphere radius. More...
 
std::size_t getColor () const
 Returns the color attribute of the sphere. More...
 
void setColor (std::size_t color)
 Sets the color attribute of the sphere. More...
 
double getHardness () const
 Returns the hardness of the Gaussian. More...
 
void setHardness (double hardness)
 Sets the hardness of the Gaussian. More...
 

Detailed Description

Data structure representing a single sphere of the Gaussian shape, characterized by a position, radius, hardness and color.

Constructor & Destructor Documentation

◆ Element()

CDPL::Shape::GaussianShape::Element::Element ( const Math::Vector3D pos,
double  radius,
std::size_t  color = 0,
double  hardness = 2.7 
)
inline

Constructs an Element with the given attributes.

Parameters
posThe position of the sphere center.
radiusThe sphere radius.
colorThe color (numeric identifier) used to attribute the sphere (e.g. for pharmacophore-aware overlays).
hardnessThe hardness of the Gaussian (default: 2.7).

Member Function Documentation

◆ getPosition()

const Math::Vector3D& CDPL::Shape::GaussianShape::Element::getPosition ( ) const
inline

Returns the position of the sphere center.

Returns
The sphere center position.

◆ setPosition()

void CDPL::Shape::GaussianShape::Element::setPosition ( const Math::Vector3D pos)
inline

Sets the position of the sphere center.

Parameters
posThe sphere center position.

◆ getRadius()

double CDPL::Shape::GaussianShape::Element::getRadius ( ) const
inline

Returns the sphere radius.

Returns
The sphere radius.

◆ setRadius()

void CDPL::Shape::GaussianShape::Element::setRadius ( double  radius)
inline

Sets the sphere radius.

Parameters
radiusThe sphere radius.

◆ getColor()

std::size_t CDPL::Shape::GaussianShape::Element::getColor ( ) const
inline

Returns the color attribute of the sphere.

Returns
The color attribute.

◆ setColor()

void CDPL::Shape::GaussianShape::Element::setColor ( std::size_t  color)
inline

Sets the color attribute of the sphere.

Parameters
colorThe color attribute.

◆ getHardness()

double CDPL::Shape::GaussianShape::Element::getHardness ( ) const
inline

Returns the hardness of the Gaussian.

Returns
The Gaussian hardness.

◆ setHardness()

void CDPL::Shape::GaussianShape::Element::setHardness ( double  hardness)
inline

Sets the hardness of the Gaussian.

Parameters
hardnessThe Gaussian hardness.

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