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

IonicInteractionConstraint. More...

#include <IonicInteractionConstraint.hpp>

+ Inheritance diagram for CDPL::Pharm::IonicInteractionConstraint:

Public Member Functions

 IonicInteractionConstraint (double min_dist=DEF_MIN_DISTANCE, double max_dist=DEF_MAX_DISTANCE)
 Constructs a IonicInteractionConstraint 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::FeatureDistanceConstraint
 FeatureDistanceConstraint (double min_dist, double max_dist)
 Constructs a FeatureDistanceConstraint functor with a minimum feature distance of min_dist and maximum distance of max_dist. More...
 
double getMinDistance () const
 
double getMaxDistance () const
 
bool operator() (const Feature &ftr1, const Feature &ftr2) const
 

Static Public Attributes

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

Detailed Description

IonicInteractionConstraint.

Constructor & Destructor Documentation

◆ IonicInteractionConstraint()

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

Constructs a IonicInteractionConstraint 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::IonicInteractionConstraint::DEF_MIN_DISTANCE = 1.5
staticconstexpr

◆ DEF_MAX_DISTANCE

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

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