Chemical Data Processing Library C++ API - Version 1.1.1
Public Member Functions | List of all members
CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator Class Reference

FeatureAutoCorrelation3DVectorCalculator. More...

#include <FeatureAutoCorrelation3DVectorCalculator.hpp>

+ Inheritance diagram for CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator:

Public Member Functions

 FeatureAutoCorrelation3DVectorCalculator ()
 Constructs the FeatureAutoCorrelation3DVectorCalculator instance. More...
 
 FeatureAutoCorrelation3DVectorCalculator (const Pharm::FeatureContainer &cntnr, Math::DVector &vec)
 
void calculate (const Pharm::FeatureContainer &cntnr, Math::DVector &vec)
 
- Public Member Functions inherited from CDPL::Descr::AutoCorrelation3DVectorCalculator< Pharm::Feature >
 AutoCorrelation3DVectorCalculator ()
 Constructs the AutoCorrelation3DVectorCalculator instance. More...
 
void setStartRadius (double start_radius)
 Sets the starting value of the radius. More...
 
double getStartRadius () const
 Returns the starting value of the radius. More...
 
void setRadiusIncrement (double radius_inc)
 Sets the radius step size between successive autocorrelation vector elements. More...
 
double getRadiusIncrement () const
 Returns the radius step size between successive autocorrelation vector elements. More...
 
void setNumSteps (std::size_t num_steps)
 Sets the number of desired radius incrementation steps. More...
 
std::size_t getNumSteps () const
 Returns the number of performed radius incrementation steps. More...
 
void setEntityPairWeightFunction (const EntityPairWeightFunction &func)
 Allows to specify a custom entity pair weight function. More...
 
void setEntity3DCoordinatesFunction (const Entity3DCoordinatesFunction &func)
 Allows to specify the entity 3D coordinates function. More...
 
void calculate (Iter beg, Iter end, Vec &vec)
 Calculates the RDF code of an entity sequence. More...
 

Additional Inherited Members

- Public Types inherited from CDPL::Descr::AutoCorrelation3DVectorCalculator< Pharm::Feature >
typedef Pharm::Feature EntityType
 
typedef std::function< double(const EntityType &, const EntityType &)> EntityPairWeightFunction
 Type of the generic functor class used to store a user-defined entity pair weight function. More...
 
typedef std::function< const Math::Vector3D &(const EntityType &)> Entity3DCoordinatesFunction
 Type of the generic functor class used to store a user-defined entity 3D coordinates function. More...
 

Detailed Description

FeatureAutoCorrelation3DVectorCalculator.

See also
[CITB, HBMD]

Constructor & Destructor Documentation

◆ FeatureAutoCorrelation3DVectorCalculator() [1/2]

CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator::FeatureAutoCorrelation3DVectorCalculator ( )

Constructs the FeatureAutoCorrelation3DVectorCalculator instance.

◆ FeatureAutoCorrelation3DVectorCalculator() [2/2]

CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator::FeatureAutoCorrelation3DVectorCalculator ( const Pharm::FeatureContainer cntnr,
Math::DVector vec 
)

Member Function Documentation

◆ calculate()

void CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator::calculate ( const Pharm::FeatureContainer cntnr,
Math::DVector vec 
)

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