Chemical Data Processing Library C++ API - Version 1.1.1
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IonicInteractionScore. More...
#include <IonicInteractionScore.hpp>
Public Types | |
typedef std::shared_ptr< IonicInteractionScore > | SharedPointer |
A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore instances. More... | |
Public Types inherited from CDPL::Pharm::FeatureDistanceScore | |
typedef std::shared_ptr< FeatureDistanceScore > | SharedPointer |
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< FeatureInteractionScore > | SharedPointer |
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 () | |
typedef std::shared_ptr<IonicInteractionScore> CDPL::Pharm::IonicInteractionScore::SharedPointer |
A reference-counted smart pointer [SHPTR] for dynamically allocated IonicInteractionScore
instances.
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inline |
Constructs a IonicInteractionScore
functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist.
min_dist | The minimum allowed feature pair distance. |
max_dist | The maximum allowed feature pair distance. |
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staticconstexpr |
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staticconstexpr |