Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | Static Public Attributes | List of all members
CDPL::Pharm::IonicInteractionScore Class Reference

IonicInteractionScore. More...

#include <IonicInteractionScore.hpp>

+ Inheritance diagram for CDPL::Pharm::IonicInteractionScore:

Public Types

typedef std::shared_ptr< IonicInteractionScoreSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances. More...
 
- Public Types inherited from CDPL::Pharm::FeatureDistanceScore
typedef std::shared_ptr< FeatureDistanceScoreSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureDistanceScore instances. More...
 
typedef std::function< double(double)> DistanceScoringFunction
 
- Public Types inherited from CDPL::Pharm::FeatureInteractionScore
typedef std::shared_ptr< FeatureInteractionScoreSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated FeatureInteractionScore instances. More...
 

Public Member Functions

 IonicInteractionScore (double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
 Constructs a IonicInteractionScore functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist. More...
 
- Public Member Functions inherited from CDPL::Pharm::FeatureDistanceScore
 FeatureDistanceScore (double min_dist, double max_dist)
 Constructs a FeatureDistanceScore functor with a minimum feature distance of min_dist and maximum distance of max_dist. More...
 
double getMinDistance () const
 
double getMaxDistance () const
 
void setDistanceScoringFunction (const DistanceScoringFunction &func)
 
double operator() (const Feature &ftr1, const Feature &ftr2) const
 
double operator() (const Math::Vector3D &ftr1_pos, const Feature &ftr2) const
 
- Public Member Functions inherited from CDPL::Pharm::FeatureInteractionScore
virtual ~FeatureInteractionScore ()
 Virtual destructor. More...
 

Static Public Attributes

static constexpr double DEF_MIN_DISTANCE = 1.5
 
static constexpr double DEF_MAX_DISTANCE = 5.5
 

Additional Inherited Members

- Protected Member Functions inherited from CDPL::Pharm::FeatureInteractionScore
 FeatureInteractionScore ()
 

Detailed Description

IonicInteractionScore.

Member Typedef Documentation

◆ SharedPointer

A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances.

Constructor & Destructor Documentation

◆ IonicInteractionScore()

CDPL::Pharm::IonicInteractionScore::IonicInteractionScore ( double  min_dist = DEF_MIN_DISTANCE,
double  max_dist = DEF_MAX_DISTANCE 
)
inline

Constructs a IonicInteractionScore functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist.

Parameters
min_distThe minimum allowed feature pair distance.
max_distThe maximum allowed feature pair distance.

Member Data Documentation

◆ DEF_MIN_DISTANCE

constexpr double CDPL::Pharm::IonicInteractionScore::DEF_MIN_DISTANCE = 1.5
staticconstexpr

◆ DEF_MAX_DISTANCE

constexpr double CDPL::Pharm::IonicInteractionScore::DEF_MAX_DISTANCE = 5.5
staticconstexpr

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